A0A061I9S4_CRIGR Loading...

ERI1 exoribonuclease 2

AlphaFold DB , UniProt , Accession A0A061I9S4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Eri2, Length 687 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.3	Low	67.1	Low	217 Å²	217	123.5 Å²	123.5	100%	1.069	61%	0.614	S	S	*	*				0	-61.1	0	-75.7	-58.6	-146.7	0	0	112.3	T3 K4	M1-T3 PolarHBondContact O-N 3Å; M1-T3 VanDerWaalsContact O-N 3.13Å; M1-K4 PolarHBondContact O-N 3.47Å; M1-K4 VanDerWaalsContact O-N 3.15Å
2	A	58.3	Low	67.7	Low	78 Å²	78	124.4 Å²	124.4	65%	0.645	62%	0.621	S	S	*	*	H	α-helix	trans	-43.6	-49.4	-170.1	0	0	0	0	0	115.8	K4 R5 L6	A2-K4 PolarHBondContact O-N 2.63Å; A2-K4 VanDerWaalsContact O-N 3.08Å; A2-R5 WeakPolarHBondContact O-CA 3.35Å; A2-R5 PolarHBondContact O-N 3.36Å; A2-L6 PolarHBondContact O-N 2.99Å
3	T	66.7	Low	67.5	Low	111 Å²	111	121.2 Å²	121.2	68%	0.681	61%	0.606	S	S	*	*	H	α-helix	trans	-53.4	-34.7	-175.9	-18.7	0	0	0	0	113.9	M1 A7	M1-T3 PolarHBondContact O-N 3Å; M1-T3 VanDerWaalsContact O-N 3.13Å; T3-A7 VanDerWaalsContact O-CB 3.3Å; T3-A7 WeakPolarHBondContact O-CB 3.3Å; T3-A7 PolarHBondContact O-N 3.19Å
4	K	68	Low	66.8	Low	132 Å²	132	129.3 Å²	129.3	57%	0.574	63%	0.626	S	S	*	*	H	α-helix	trans	-79.7	-25.1	179.1	-164.6	178.2	-178.6	-175.9	0	113.1	M1 A2 R8 I13	M1-K4 PolarHBondContact O-N 3.47Å; M1-K4 VanDerWaalsContact O-N 3.15Å; A2-K4 PolarHBondContact O-N 2.63Å; A2-K4 VanDerWaalsContact O-N 3.08Å; K4-R8 WeakPolarHBondContact O-CG 3.39Å; K4-R8 PolarHBondContact O-N 3.29Å; K4-I13 HydrophobicContact CG-CD1 4.2Å
5	R	67.3	Low	66.2	Low	197 Å²	197	131.4 Å²	131.4	74%	0.743	63%	0.625	S	S	*	*	H	α-helix	trans	-74.6	-43.3	167.8	-103.7	-175.3	172.4	178.4	-2.4	110.1	A2 R8 R9	A2-R5 WeakPolarHBondContact O-CA 3.35Å; A2-R5 PolarHBondContact O-N 3.36Å; R5-R8 WeakPolarHBondContact O-CB 3.39Å; R5-R8 PolarHBondContact O-N 3.02Å; R5-R9 PolarHBondContact O-N 3.01Å
6	L	67.1	Low	64.4	Low	100 Å²	100	135.6 Å²	135.6	52%	0.524	64%	0.64	S	S	.	*	H	α-helix	trans	-60.8	-50.9	177.5	-173.8	63.7	0	0	0	111.9	A2 R8 R9 L10	A2-L6 PolarHBondContact O-N 2.99Å; L6-R8 PolarHBondContact O-N 3.48Å; L6-R9 PolarHBondContact O-N 3.47Å; L6-L10 HydrophobicContact CD1-CD1 4.05Å; L6-L10 HydrophobicContact CD1-CG 4.21Å; L6-L10 HydrophobicContact CD2-CD1 4.45Å; L6-L10 HydrophobicContact CG-CD1 3.84Å; L6-L10 HydrophobicContact CG-CG 4.34Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 3.13Å
7	A	71.6	Confident	63.1	Low	20 Å²	20	132.6 Å²	132.6	17%	0.165	64%	0.637	C	S	.	*	H	α-helix	trans	-68.8	-13	179	0	0	0	0	0	114.5	T3 L12 I13	T3-A7 VanDerWaalsContact O-CB 3.3Å; T3-A7 WeakPolarHBondContact O-CB 3.3Å; T3-A7 PolarHBondContact O-N 3.19Å; A7-L12 HydrophobicContact CB-CB 4.39Å; A7-L12 PolarHBondContact O-N 3.39Å; A7-I13 HydrophobicContact CB-CD1 3.67Å; A7-I13 HydrophobicContact CB-CG1 3.86Å; A7-I13 PolarHBondContact O-N 3.03Å
8	R	73.4	Confident	62.1	Low	114 Å²	114	132.8 Å²	132.8	43%	0.43	65%	0.647	S	S	.	*	H	α-helix	trans	-78.4	-48.6	164	-79.1	172.5	171	168.3	-4.6	111	K4 R5 L6 L10 G11	K4-R8 WeakPolarHBondContact O-CG 3.39Å; K4-R8 PolarHBondContact O-N 3.29Å; R5-R8 WeakPolarHBondContact O-CB 3.39Å; R5-R8 PolarHBondContact O-N 3.02Å; L6-R8 PolarHBondContact O-N 3.48Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.07Å; R8-G11 PolarHBondContact O-N 3.08Å; R8-G11 VanDerWaalsContact O-N 3.17Å
9	R	69.3	Low	60.7	Low	236 Å²	236	129.5 Å²	129.5	89%	0.891	64%	0.644	S	S	*	*	H	α-helix	trans	-59.5	-37.1	176.6	-98.4	-173	172.2	178.8	-3	112.9	R5 L6 G11	R5-R9 PolarHBondContact O-N 3.01Å; L6-R9 PolarHBondContact O-N 3.47Å; R9-G11 VanDerWaalsContact C-N 3.28Å; R9-G11 PolarHBondContact O-N 3.09Å
10	L	75	Confident	59.8	Low	109 Å²	109	128.9 Å²	128.9	57%	0.571	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	7	178.7	-61.7	177.5	0	0	0	114	L6 R8 L12	L6-L10 HydrophobicContact CD1-CD1 4.05Å; L6-L10 HydrophobicContact CD1-CG 4.21Å; L6-L10 HydrophobicContact CD2-CD1 4.45Å; L6-L10 HydrophobicContact CG-CD1 3.84Å; L6-L10 HydrophobicContact CG-CG 4.34Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 3.13Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.07Å; L10-L12 HydrophobicContact CB-CD1 4.08Å; L10-L12 HydrophobicContact CB-CG 3.98Å; L10-L12 HydrophobicContact CD1-CD1 4.25Å; L10-L12 PolarHBondContact O-N 3.45Å
11	G	68.4	Low	58.7	Low	45 Å²	45	127.4 Å²	127.4	46%	0.464	66%	0.657	S	S	.	*	S	Bend	trans	68.1	-9.2	179.6	0	0	0	0	0	116.5	R8 R9 I13 R14	R8-G11 PolarHBondContact O-N 3.08Å; R8-G11 VanDerWaalsContact O-N 3.17Å; R9-G11 VanDerWaalsContact C-N 3.28Å; R9-G11 PolarHBondContact O-N 3.09Å; G11-I13 VanDerWaalsContact C-N 3.25Å; G11-I13 CarbonylContact O-C 3.49Å; G11-I13 PolarHBondContact O-N 3.48Å; G11-R14 PolarHBondContact O-N 3.44Å
12	L	74.2	Confident	58.5	Low	134 Å²	134	123.3 Å²	123.3	70%	0.702	65%	0.65	S	S	*	*			trans	-57.1	-34.6	-177.7	-59.8	175.5	0	0	0	113	A7 L10 R14	A7-L12 HydrophobicContact CB-CB 4.39Å; A7-L12 PolarHBondContact O-N 3.39Å; L10-L12 HydrophobicContact CB-CD1 4.08Å; L10-L12 HydrophobicContact CB-CG 3.98Å; L10-L12 HydrophobicContact CD1-CD1 4.25Å; L10-L12 PolarHBondContact O-N 3.45Å; L12-R14 PolarHBondContact O-N 2.69Å
13	I	64.9	Low	57.6	Low	83 Å²	83	122.3 Å²	122.3	43%	0.426	65%	0.647	S	S	.	*	S	Bend	trans	-93.6	85.7	168.5	-57.5	171.9	0	0	0	108.4	K4 A7 G11 R15	K4-I13 HydrophobicContact CG-CD1 4.2Å; A7-I13 HydrophobicContact CB-CD1 3.67Å; A7-I13 HydrophobicContact CB-CG1 3.86Å; A7-I13 PolarHBondContact O-N 3.03Å; G11-I13 VanDerWaalsContact C-N 3.25Å; G11-I13 CarbonylContact O-C 3.49Å; G11-I13 PolarHBondContact O-N 3.48Å; I13-R15 PolarHBondContact O-N 2.84Å; I13-R15 VanDerWaalsContact O-N 3.17Å
14	R	57.8	Low	56.1	Low	234 Å²	234	124 Å²	124	88%	0.883	65%	0.652	S	S	*	*			trans	-60	119.1	165.2	-71.7	-173.8	178.2	179.8	-0.3	108.8	G11 L12 K16	G11-R14 PolarHBondContact O-N 3.44Å; L12-R14 PolarHBondContact O-N 2.69Å; R14-K16 PolarHBondContact O-N 3.22Å
15	R	57.3	Low	54.9	Low	161 Å²	161	124.4 Å²	124.4	61%	0.608	67%	0.668	S	S	*	*			trans	-59.2	122.8	168.4	-169.5	177.3	-163.7	-177.3	3.3	106.9	I13 S17 V203	I13-R15 PolarHBondContact O-N 2.84Å; I13-R15 VanDerWaalsContact O-N 3.17Å; R15-S17 PolarHBondContact O-N 2.66Å; R15-V203 PolarHBondContact NH2-O 2.97Å
16	K	38.3	Very low	53.4	Low	199 Å²	199	118.4 Å²	118.4	87%	0.865	67%	0.667	S	S	*	*			trans	-72.1	78.5	166.6	-171.2	171.7	-176.5	172.6	0	108	R14 V18	R14-K16 PolarHBondContact O-N 3.22Å; K16-V18 PolarHBondContact O-N 2.84Å
17	S	42.3	Very low	52.1	Low	84 Å²	84	116.4 Å²	116.4	59%	0.587	67%	0.671	S	S	*	*			trans	-52.6	123.5	154.7	34.5	0	0	0	0	107.1	R15 A19	R15-S17 PolarHBondContact O-N 2.66Å; S17-A19 VanDerWaalsContact C-N 3.28Å; S17-A19 PolarHBondContact O-N 3.18Å
18	V	44.3	Very low	50.9	Low	136 Å²	136	120.7 Å²	120.7	82%	0.824	70%	0.7	S	S	*	*			trans	-64.8	107.6	142.5	178.5	0	0	0	0	103	K16	K16-V18 PolarHBondContact O-N 2.84Å
19	A	35.9	Very low	50.2	Low	70 Å²	70	125.2 Å²	125.2	58%	0.579	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-60.8	132.4	171.6	0	0	0	0	0	106.9	S17 A21	S17-A19 VanDerWaalsContact C-N 3.28Å; S17-A19 PolarHBondContact O-N 3.18Å; A19-A21 PolarHBondContact O-N 2.72Å
20	P	41.8	Very low	49.9	Very low	118 Å²	118	121.4 Å²	121.4	77%	0.766	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-57.2	134.8	160.8	28.2	-32.5	0	0	0	106.6	S22	P20-S22 PolarHBondContact O-N 3.47Å; P20-S22 VanDerWaalsContact O-N 3.15Å
21	A	38.5	Very low	50.1	Low	97 Å²	97	125.9 Å²	125.9	80%	0.802	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-57.6	124.3	177.3	0	0	0	0	0	108.5	A19 G23	A19-A21 PolarHBondContact O-N 2.72Å; A21-G23 PolarHBondContact O-N 3.03Å
22	S	48.6	Very low	51.2	Low	132 Å²	132	124.6 Å²	124.6	92%	0.923	70%	0.698	S	S	*	*	S	Bend	trans	-74.1	78.1	179.5	52.7	0	0	0	0	109.7	P20	P20-S22 PolarHBondContact O-N 3.47Å; P20-S22 VanDerWaalsContact O-N 3.15Å
23	G	38.1	Very low	52	Low	57 Å²	57	121.6 Å²	121.6	59%	0.588	69%	0.685	S	S	*	*	S	Bend	trans	-175.3	100.3	-178.2	0	0	0	0	0	111.9	A21	A21-G23 PolarHBondContact O-N 3.03Å
24	N	35	Very low	53.4	Low	147 Å²	147	118.8 Å²	118.8	79%	0.786	67%	0.669	S	S	*	*			trans	53.6	129.4	172.2	-66.4	-13.4	0	0	0	118.8	G26	N24-G26 PolarHBondContact O-N 3.03Å
25	P	43.1	Very low	55.1	Low	139 Å²	139	109.3 Å²	109.3	90%	0.903	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	6.4	172.9	32.3	-36.3	0	0	0	114.2
26	G	36.2	Very low	57	Low	71 Å²	71	102 Å²	102	73%	0.732	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	3	176.6	0	0	0	0	0	115.1	N24 S28	N24-G26 PolarHBondContact O-N 3.03Å; G26-S28 PolarHBondContact O-N 3.25Å
27	G	40.6	Very low	59.9	Low	58 Å²	58	92.5 Å²	92.5	60%	0.598	57%	0.568	S	S	*	*	S	Bend	trans	-60.7	117.6	171.9	0	0	0	0	0	110.9	R29	G27-R29 PolarHBondContact O-N 3Å
28	S	46.6	Very low	62.5	Low	110 Å²	110	88.5 Å²	88.5	77%	0.769	54%	0.54	S	S	*	.			trans	-48	111.7	-174.1	-175.4	0	0	0	0	112.1	G26 F30	G26-S28 PolarHBondContact O-N 3.25Å; S28-F30 PolarHBondContact O-N 3.48Å; S28-F30 VanDerWaalsContact O-N 3.15Å
29	R	57.4	Low	65.1	Low	209 Å²	209	82 Å²	82	79%	0.789	50%	0.5	S	S	*	.			trans	-64.1	116.2	172.1	-64.5	-175.2	-173.8	-176.8	4.3	107.1	G27 R31	G27-R29 PolarHBondContact O-N 3Å; R29-R31 PolarHBondContact O-N 3.32Å
30	F	63	Low	68.1	Low	156 Å²	156	78.8 Å²	78.8	68%	0.684	47%	0.473	S	S	*	.			trans	-54.8	102.7	174.5	-72.1	-77.9	0	0	0	109.8	S28 Q32 L234	S28-F30 PolarHBondContact O-N 3.48Å; S28-F30 VanDerWaalsContact O-N 3.15Å; F30-Q32 PolarHBondContact O-N 3.22Å; F30-L234 HydrophobicContact CB-CD2 4.17Å
31	R	80.8	Confident	70.8	Confident	204 Å²	204	73.2 Å²	73.2	77%	0.77	44%	0.437	S	S	*	.			trans	-60.3	126.1	-177	-173	176.8	176.3	-172.2	-3.4	108.5	R29 D35	R29-R31 PolarHBondContact O-N 3.32Å; R31-D35 IonicContact NH2-OD1 2.95Å; R31-D35 PolarHBondContact NH2-OD1 2.93Å
32	Q	91.1	Very high	73.7	Confident	17 Å²	17	68.6 Å²	68.6	8%	0.079	40%	0.399	C	S	.	.			trans	-67.4	149.8	176.1	-65.5	-62.4	-44.3	0	0	109.8	F30 Y34 I229 C233	F30-Q32 PolarHBondContact O-N 3.22Å; Q32-Y34 WeakPolarHBondContact CB-O 3.31Å; Q32-Y34 PolarHBondContact O-N 3.34Å; Q32-I229 HydrophobicContact CG-CD1 4.25Å; Q32-I229 HydrophobicContact CG-CG1 4.15Å; Q32-I229 HydrophobicContact CG-CG2 3.85Å; Q32-C233 PolarHBondContact NE2-O 2.96Å; Q32-C233 PolarHBondContact OE1-O 2.96Å
33	V	90.4	Very high	76	Confident	71 Å²	71	62.3 Å²	62.3	43%	0.43	36%	0.355	S	S	.	.	S	Bend	trans	-69.3	-26.2	175.3	-180	0	0	0	0	111.2	L145	V33-L145 WeakPolarHBondContact O-CB 3.13Å; V33-L145 WeakPolarHBondContact O-CD1 3.29Å
34	Y	94	Very high	78.8	Confident	24 Å²	24	59.8 Å²	59.8	9%	0.094	33%	0.328	C	S	.	.			trans	-113.5	125	177.3	-47	-69.6	0	0	0	109	Q32 Y36 L37 T68 A133 L145 A147 I179 M235	Q32-Y34 WeakPolarHBondContact CB-O 3.31Å; Q32-Y34 PolarHBondContact O-N 3.34Å; Y34-Y36 WeakPolarHBondContact CB-O 3.43Å; Y34-L37 HydrophobicContact CD2-CD2 4.21Å; Y34-L37 HydrophobicContact CG-CD2 4.38Å; Y34-T68 WeakPolarHBondContact O-CB 3.46Å; Y34-T68 VanDerWaalsContact O-CG2 3.22Å; Y34-T68 WeakPolarHBondContact O-CG2 3.39Å; Y34-T68 PolarHBondContact O-OG1 3.22Å; Y34-A133 HydrophobicContact CD1-CB 4.28Å; Y34-A133 HydrophobicContact CE1-CB 3.64Å; Y34-L145 CarbonylContact C-O 3.43Å; Y34-L145 VanDerWaalsContact CA-O 3.29Å; Y34-L145 WeakPolarHBondContact CA-O 3.38Å; Y34-L145 HydrophobicContact CD1-CB 3.98Å; Y34-A147 HydrophobicContact CD1-CB 3.83Å; Y34-A147 HydrophobicContact CD2-CB 3.89Å; Y34-A147 HydrophobicContact CE1-CB 3.96Å; Y34-A147 HydrophobicContact CE2-CB 4Å; Y34-A147 HydrophobicContact CG-CB 3.82Å; Y34-I179 HydrophobicContact CD2-CD1 4.41Å; Y34-I179 HydrophobicContact CE2-CD1 4.26Å; Y34-M235 HydrophobicContact CD2-CB 4.4Å; Y34-M235 WeakPolarHBondContact CE2-O 3.09Å
35	D	94.7	Very high	81.8	Confident	35 Å²	35	52.9 Å²	52.9	19%	0.187	29%	0.292	C	S	.	.	S	Bend	trans	-72.3	-21.4	171.5	-45.6	-92.4	0	0	0	110.9	R31 T68 K144 L145	R31-D35 IonicContact NH2-OD1 2.95Å; R31-D35 PolarHBondContact NH2-OD1 2.93Å; D35-T68 VanDerWaalsContact CA-OG1 3.32Å; D35-T68 WeakPolarHBondContact CA-OG1 3.46Å; D35-T68 PolarHBondContact O-N 2.86Å; D35-T68 PolarHBondContact O-OG1 3.13Å; D35-T68 VanDerWaalsContact O-OG1 3.13Å; D35-K144 HydrophobicContact CB-CB 4.05Å; D35-K144 HydrophobicContact CB-CD 4.23Å; D35-K144 HydrophobicContact CB-CG 4.16Å; D35-K144 VanDerWaalsContact OD2-CA 3.31Å; D35-K144 WeakPolarHBondContact OD2-CA 3.32Å; D35-L145 PolarHBondContact N-O 3.41Å; D35-L145 PolarHBondContact OD2-N 2.72Å
36	Y	96.8	Very high	84.1	Confident	8 Å²	8	47 Å²	47	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.2	179.8	-73.3	-69.6	0	0	0	113.8	Y34 L65 L66 E74 K128 I130 K144 L145 C146 A147	Y34-Y36 WeakPolarHBondContact CB-O 3.43Å; Y36-L65 HydrophobicContact CD1-CD1 3.89Å; Y36-L65 HydrophobicContact CD1-CG 4.09Å; Y36-L65 HydrophobicContact CG-CD1 4.1Å; Y36-L66 CarbonylContact C-O 3.46Å; Y36-L66 WeakPolarHBondContact CA-O 3.31Å; Y36-E74 VanDerWaalsContact CE1-CD 3.46Å; Y36-E74 HydrophobicContact CE1-CG 4.45Å; Y36-E74 WeakPolarHBondContact CE1-OE1 3.43Å; Y36-E74 WeakPolarHBondContact CE1-OE2 3.34Å; Y36-E74 PolarHBondContact OH-OE1 2.83Å; Y36-E74 PolarHBondContact OH-OE2 2.73Å; Y36-K128 HydrophobicContact CE2-CB 4.17Å; Y36-I130 HydrophobicContact CD2-CD1 3.35Å; Y36-I130 HydrophobicContact CD2-CG1 3.62Å; Y36-I130 HydrophobicContact CE2-CD1 3.81Å; Y36-I130 HydrophobicContact CE2-CG1 4.04Å; Y36-I130 HydrophobicContact CG-CD1 3.78Å; Y36-I130 HydrophobicContact CG-CG1 4.46Å; Y36-K144 HydrophobicContact CD2-CB 4.34Å; Y36-K144 HydrophobicContact CD2-CD 4.16Å; Y36-K144 HydrophobicContact CE2-CB 4.48Å; Y36-K144 HydrophobicContact CE2-CD 3.53Å; Y36-L145 PolarHBondContact N-O 3.27Å; Y36-C146 VanDerWaalsContact O-CA 3.27Å; Y36-C146 WeakPolarHBondContact O-CA 3.48Å; Y36-C146 PolarHBondContact O-SG 3.04Å; Y36-C146 VanDerWaalsContact O-SG 3.36Å; Y36-A147 PolarHBondContact O-N 2.83Å
37	L	98	Very high	86.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.8	172.6	-63.8	173.6	0	0	0	110	Y34 L66 T68 A147 V149 I179 A225 I229 M235	Y34-L37 HydrophobicContact CD2-CD2 4.21Å; Y34-L37 HydrophobicContact CG-CD2 4.38Å; L37-L66 HydrophobicContact CB-CB 4.37Å; L37-L66 HydrophobicContact CD1-CD2 4.34Å; L37-L66 PolarHBondContact N-O 3.37Å; L37-L66 PolarHBondContact O-N 3.38Å; L37-T68 HydrophobicContact CD1-CG2 3.92Å; L37-T68 HydrophobicContact CG-CG2 3.79Å; L37-A147 WeakPolarHBondContact CA-O 3.31Å; L37-A147 HydrophobicContact CD2-CB 4.07Å; L37-V149 HydrophobicContact CB-CG2 3.86Å; L37-V149 HydrophobicContact CD1-CG2 4.23Å; L37-V149 HydrophobicContact CD2-CG2 3.81Å; L37-V149 HydrophobicContact CG-CG2 4.17Å; L37-I179 HydrophobicContact CD2-CD1 4.1Å; L37-A225 HydrophobicContact CD1-CB 4.49Å; L37-I229 HydrophobicContact CD1-CD1 4.04Å; L37-M235 HydrophobicContact CD1-CG 4.15Å
38	I	98.5	Very high	88.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	110	173.6	-63.6	161.9	0	0	0	108.1	I40 A63 V64 L65 W120 I121 I124 L132 A147 F148 V149	I38-I40 HydrophobicContact CG2-CD1 4.42Å; I38-I40 HydrophobicContact CG2-CG1 4.27Å; I38-A63 HydrophobicContact CG2-CB 3.96Å; I38-V64 WeakPolarHBondContact CA-O 3.38Å; I38-L65 HydrophobicContact CD1-CD1 4.48Å; I38-L65 HydrophobicContact CG1-CD1 3.72Å; I38-W120 HydrophobicContact CD1-CZ3 4.42Å; I38-W120 HydrophobicContact CG2-CH2 4.16Å; I38-W120 HydrophobicContact CG2-CZ3 4.06Å; I38-I121 HydrophobicContact CD1-CD1 3.74Å; I38-I124 HydrophobicContact CD1-CD1 3.75Å; I38-I124 HydrophobicContact CG1-CD1 4.31Å; I38-L132 HydrophobicContact CD1-CD2 3.84Å; I38-A147 PolarHBondContact N-O 3.15Å; I38-F148 HydrophobicContact CB-CD1 3.75Å; I38-F148 HydrophobicContact CB-CE1 3.87Å; I38-F148 HydrophobicContact CD1-CD1 4.46Å; I38-F148 HydrophobicContact CD1-CE1 3.81Å; I38-F148 HydrophobicContact CD1-CZ 4.15Å; I38-F148 HydrophobicContact CG1-CE1 4.47Å; I38-F148 HydrophobicContact CG2-CD1 3.76Å; I38-F148 HydrophobicContact CG2-CE1 3.71Å; I38-F148 CarbonylContact O-C 3.59Å; I38-F148 WeakPolarHBondContact O-CA 3.46Å; I38-V149 PolarHBondContact O-N 3.04Å
39	V	98.8	Very high	90.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.5	-175	-168.8	0	0	0	0	110.1	A63 V64 V149 T221 A222	V39-A63 CarbonylContact O-C 3.59Å; V39-A63 VanDerWaalsContact O-CA 3.27Å; V39-A63 WeakPolarHBondContact O-CA 3.48Å; V39-V64 HydrophobicContact CB-CG2 3.83Å; V39-V64 HydrophobicContact CG2-CG2 4.36Å; V39-V64 PolarHBondContact N-O 3.01Å; V39-V64 PolarHBondContact O-N 3.23Å; V39-V149 CarbonylContact C-O 3.54Å; V39-V149 WeakPolarHBondContact CA-O 3.37Å; V39-V149 HydrophobicContact CG1-CB 4.46Å; V39-V149 HydrophobicContact CG2-CB 4.15Å; V39-T221 HydrophobicContact CG1-CG2 3.38Å; V39-A222 HydrophobicContact CB-CB 4.4Å; V39-A222 HydrophobicContact CG2-CB 3.84Å
40	I	98.7	Very high	90.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.4	-174.7	-60.9	176.2	0	0	0	109.5	I38 F42 A63 F117 F148 V149 T150 L156 L175	I38-I40 HydrophobicContact CG2-CD1 4.42Å; I38-I40 HydrophobicContact CG2-CG1 4.27Å; I40-F42 HydrophobicContact CG2-CD1 3.73Å; I40-F42 HydrophobicContact CG2-CE1 3.24Å; I40-F42 HydrophobicContact CG2-CE2 4.2Å; I40-F42 HydrophobicContact CG2-CG 4.37Å; I40-F42 HydrophobicContact CG2-CZ 3.52Å; I40-A63 HydrophobicContact CD1-CB 4.48Å; I40-A63 HydrophobicContact CG1-CB 3.86Å; I40-F117 HydrophobicContact CD1-CZ 3.99Å; I40-F148 HydrophobicContact CD1-CD1 3.77Å; I40-F148 HydrophobicContact CD1-CE1 4.21Å; I40-V149 PolarHBondContact N-O 2.81Å; I40-T150 HydrophobicContact CB-CG2 4.46Å; I40-T150 WeakPolarHBondContact O-CA 3.44Å; I40-L156 HydrophobicContact CD1-CD2 4.5Å; I40-L175 HydrophobicContact CD1-CD2 4.1Å
41	D	98.4	Very high	89.8	Confident	1 Å²	1	40 Å²	40	1%	0.005	19%	0.191	C	C	.	.			trans	-142.9	117.3	169.1	-154.7	-51.7	0	0	0	108.7	P62 W151 D217 S218 R682	D41-P62 WeakPolarHBondContact O-CD 3.47Å; D41-P62 VanDerWaalsContact O-CG 3.23Å; D41-P62 WeakPolarHBondContact O-CG 3.19Å; D41-W151 WeakPolarHBondContact OD2-CB 3.33Å; D41-D217 HydrophobicContact CB-CB 4.33Å; D41-S218 PolarHBondContact N-OG 2.73Å; D41-R682 IonicContact OD1-CZ 3.72Å; D41-R682 IonicContact OD1-NH1 2.96Å; D41-R682 PolarHBondContact OD1-NH1 3.22Å; D41-R682 IonicContact OD1-NH2 2.68Å; D41-R682 PolarHBondContact OD1-NH2 3.01Å
42	F	98.4	Very high	88.7	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.			trans	-96.6	130.5	-172.5	-60.1	-44.7	0	0	0	111.9	I40 I58 F61 W154 D155 L156 L160 R682	I40-F42 HydrophobicContact CG2-CD1 3.73Å; I40-F42 HydrophobicContact CG2-CE1 3.24Å; I40-F42 HydrophobicContact CG2-CE2 4.2Å; I40-F42 HydrophobicContact CG2-CG 4.37Å; I40-F42 HydrophobicContact CG2-CZ 3.52Å; F42-I58 HydrophobicContact CB-CG1 4.36Å; F42-I58 HydrophobicContact CB-CG2 4.42Å; F42-I58 HydrophobicContact CD1-CG2 4.47Å; F42-I58 HydrophobicContact CD2-CD1 3.82Å; F42-I58 HydrophobicContact CD2-CG1 4.29Å; F42-I58 HydrophobicContact CE2-CD1 3.98Å; F42-I58 HydrophobicContact CG-CD1 4.13Å; F42-I58 HydrophobicContact CG-CG1 4.33Å; F42-I58 HydrophobicContact CG-CG2 4.49Å; F42-I58 HydrophobicContact CZ-CD1 4.39Å; F42-F61 HydrophobicContact CD1-CD1 4.5Å; F42-F61 HydrophobicContact CD1-CD2 4.15Å; F42-F61 HydrophobicContact CD1-CG 4.14Å; F42-F61 HydrophobicContact CE1-CB 4.47Å; F42-F61 AromaticContact CE1-CD1 3.72Å; F42-F61 HydrophobicContact CE1-CD1 3.72Å; F42-F61 AromaticContact CE1-CD2 3.5Å; F42-F61 HydrophobicContact CE1-CD2 3.5Å; F42-F61 AromaticContact CE1-CE1 3.71Å; F42-F61 HydrophobicContact CE1-CE1 3.71Å; F42-F61 AromaticContact CE1-CE2 3.5Å; F42-F61 HydrophobicContact CE1-CE2 3.5Å; F42-F61 VanDerWaalsContact CE1-CE2 3.5Å; F42-F61 AromaticContact CE1-CG 3.62Å; F42-F61 HydrophobicContact CE1-CG 3.62Å; F42-F61 AromaticContact CE1-CZ 3.61Å; F42-F61 HydrophobicContact CE1-CZ 3.61Å; F42-F61 HydrophobicContact CZ-CD2 4.04Å; F42-F61 HydrophobicContact CZ-CE1 4.2Å; F42-F61 AromaticContact CZ-CE2 3.59Å; F42-F61 HydrophobicContact CZ-CE2 3.59Å; F42-F61 AromaticContact CZ-CZ 3.68Å; F42-F61 HydrophobicContact CZ-CZ 3.68Å; F42-W154 HydrophobicContact CB-CZ3 4.27Å; F42-W154 WeakPolarHBondContact O-CZ3 3.45Å; F42-D155 HydrophobicContact CD2-CB 3.79Å; F42-D155 HydrophobicContact CE2-CB 4.22Å; F42-D155 HydrophobicContact CG-CB 4.45Å; F42-D155 PolarHBondContact N-OD1 3.01Å; F42-L156 HydrophobicContact CE2-CD2 3.91Å; F42-L156 HydrophobicContact CZ-CD2 3.95Å; F42-L160 HydrophobicContact CE2-CB 3.84Å; F42-L160 HydrophobicContact CE2-CD2 4.23Å; F42-L160 HydrophobicContact CZ-CD2 4.29Å; F42-R682 PolarHBondContact O-NE 3.32Å; F42-R682 PolarHBondContact O-NH1 3.41Å; F42-R682 PolarHBondContact O-NH2 2.75Å
43	E	98.2	Very high	87.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	147.9	161.3	-65.7	-56.1	161.2	0	0	112	I58 I59 E60 T97 I99 H212 R682 M685	E43-I58 WeakPolarHBondContact O-CA 3.08Å; E43-I59 HydrophobicContact CB-CG1 4.23Å; E43-I59 PolarHBondContact O-N 2.91Å; E43-E60 HydrophobicContact CB-CB 3.99Å; E43-E60 PolarHBondContact N-O 3.29Å; E43-E60 PolarHBondContact O-N 3.13Å; E43-T97 HydrophobicContact CB-CG2 4.06Å; E43-T97 HydrophobicContact CG-CG2 3.99Å; E43-I99 HydrophobicContact CB-CD1 3.91Å; E43-I99 HydrophobicContact CG-CD1 4.43Å; E43-H212 WeakPolarHBondContact CG-O 2.96Å; E43-H212 VanDerWaalsContact OE1-CA 3.23Å; E43-H212 WeakPolarHBondContact OE1-CA 3.43Å; E43-H212 WeakPolarHBondContact OE1-CB 3.15Å; E43-R682 IonicContact OE1-CZ 3.65Å; E43-R682 IonicContact OE1-NE 2.68Å; E43-R682 IonicContact OE1-NH2 3.07Å; E43-R682 PolarHBondContact OE1-NH2 2.82Å; E43-R682 IonicContact OE2-CZ 2.81Å; E43-R682 IonicContact OE2-NE 3.11Å; E43-R682 PolarHBondContact OE2-NE 3.35Å; E43-R682 IonicContact OE2-NH2 3.17Å; E43-R682 PolarHBondContact OE2-NH2 3.1Å; E43-M685 WeakPolarHBondContact OE2-CE 3.5Å
44	S	97	Very high	86.8	Confident	4 Å²	4	42.5 Å²	42.5	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155	-174.9	68.3	0	0	0	0	113.3	C46 E57 W154	S44-C46 PolarHBondContact O-N 2.93Å; S44-E57 CarbonylContact C-O 3.58Å; S44-E57 WeakPolarHBondContact CA-O 3.37Å; S44-E57 WeakPolarHBondContact CB-O 3.29Å; S44-W154 VanDerWaalsContact OG-CH2 3.3Å; S44-W154 WeakPolarHBondContact OG-CH2 3.45Å; S44-W154 WeakPolarHBondContact OG-CZ2 3.34Å
45	T	96.2	Very high	86.6	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.018	22%	0.219	C	C	.	.			trans	-49.4	127.1	169.9	55.9	0	0	0	0	111.6	W47 E57 I59 P83 L89	T45-W47 WeakPolarHBondContact O-CZ3 3.32Å; T45-W47 WeakPolarHBondContact OG1-CH2 3.18Å; T45-E57 HydrophobicContact CG2-CB 4.43Å; T45-E57 PolarHBondContact N-O 3.35Å; T45-E57 PolarHBondContact OG1-N 2.91Å; T45-I59 HydrophobicContact CG2-CG2 3.63Å; T45-P83 HydrophobicContact CG2-CB 3.85Å; T45-P83 HydrophobicContact CG2-CG 3.97Å; T45-L89 HydrophobicContact CG2-CD2 3.93Å
46	C	92.8	Very high	86.6	Confident	16 Å²	16	44 Å²	44	11%	0.108	22%	0.223	C	C	.	.			trans	-144.4	163.6	-177.1	75	0	0	0	0	112.3	S44 S90	S44-C46 PolarHBondContact O-N 2.93Å; C46-S90 PolarHBondContact O-OG 3.04Å
47	W	91.2	Very high	86.6	Confident	67 Å²	67	43.6 Å²	43.6	25%	0.254	22%	0.222	S	C	.	.			trans	-142.7	146.7	-173.3	-57.5	-92.1	0	0	0	111.5	T45 N54 H86	T45-W47 WeakPolarHBondContact O-CZ3 3.32Å; T45-W47 WeakPolarHBondContact OG1-CH2 3.18Å; W47-N54 HydrophobicContact CD2-CB 4.12Å; W47-N54 HydrophobicContact CE3-CB 3.69Å; W47-N54 HydrophobicContact CH2-CB 3.62Å; W47-N54 HydrophobicContact CZ2-CB 4Å; W47-N54 HydrophobicContact CZ3-CB 3.44Å; W47-N54 VanDerWaalsContact CZ3-CB 3.44Å; W47-H86 HydrophobicContact CH2-CB 4.4Å; W47-H86 AromaticContact CH2-CD2 3.49Å; W47-H86 VanDerWaalsContact CH2-CD2 3.49Å; W47-H86 WeakPolarHBondContact CH2-CD2 3.5Å; W47-H86 HydrophobicContact CZ2-CB 3.94Å; W47-H86 AromaticContact CZ2-CD2 3.59Å; W47-H86 AromaticContact CZ2-CG 3.84Å
48	K	85	Confident	86.6	Confident	116 Å²	116	43.6 Å²	43.6	50%	0.504	22%	0.222	S	C	.	.	S	Bend	trans	-63.9	-41.5	179.9	-149.8	165.5	-171.1	158.2	0	111.9	G50 F92 L679	K48-G50 PolarHBondContact O-N 2.94Å; K48-F92 HydrophobicContact CB-CB 4.08Å; K48-F92 HydrophobicContact CB-CD1 4.45Å; K48-F92 HydrophobicContact CB-CD2 4.25Å; K48-F92 HydrophobicContact CB-CG 3.98Å; K48-F92 HydrophobicContact CD-CB 4.41Å; K48-F92 HydrophobicContact CD-CD2 4.2Å; K48-F92 HydrophobicContact CG-CD2 3.96Å; K48-F92 HydrophobicContact CG-CE2 4.49Å; K48-F92 HydrophobicContact CG-CG 4.21Å; K48-L679 WeakPolarHBondContact O-CD2 3.49Å
49	D	76.4	Confident	86.6	Confident	78 Å²	78	43.6 Å²	43.6	42%	0.417	22%	0.222	S	C	.	.			trans	-87	101.5	-179.9	-89.1	-78.5	0	0	0	112.9	K51 H52	D49-K51 PolarHBondContact O-N 3.45Å; D49-K51 IonicContact OD1-NZ 3.49Å; D49-K51 PolarHBondContact OD1-NZ 2.89Å; D49-H52 PolarHBondContact O-N 2.94Å
50	G	57	Low	86.6	Confident	37 Å²	37	43.7 Å²	43.7	38%	0.381	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	13.8	170.9	0	0	0	0	0	116.1	K48	K48-G50 PolarHBondContact O-N 2.94Å
51	K	53.8	Low	86.6	Confident	159 Å²	159	43.6 Å²	43.6	69%	0.691	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-31.1	171.3	-62.1	173.2	-171.3	132.3	0	112.2	D49	D49-K51 PolarHBondContact O-N 3.45Å; D49-K51 IonicContact OD1-NZ 3.49Å; D49-K51 PolarHBondContact OD1-NZ 2.89Å
52	H	57.1	Low	86.6	Confident	119 Å²	119	43.6 Å²	43.6	55%	0.551	22%	0.221	S	C	*	.			trans	-81.1	132.3	-177	-69.9	-89.5	0	0	0	110.4	D49 N54	D49-H52 PolarHBondContact O-N 2.94Å; H52-N54 PolarHBondContact O-N 2.83Å
53	H	64.6	Low	86.6	Confident	170 Å²	170	43.6 Å²	43.6	79%	0.787	22%	0.221	S	C	*	.			trans	-86.4	27.6	178.9	-76	-76.1	0	0	0	112.7
54	N	78	Confident	86.6	Confident	55 Å²	55	43.6 Å²	43.6	29%	0.294	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-61.3	137	178.4	-67.2	27.8	0	0	0	109.6	W47 H52 H86	W47-N54 HydrophobicContact CD2-CB 4.12Å; W47-N54 HydrophobicContact CE3-CB 3.69Å; W47-N54 HydrophobicContact CH2-CB 3.62Å; W47-N54 HydrophobicContact CZ2-CB 4Å; W47-N54 HydrophobicContact CZ3-CB 3.44Å; W47-N54 VanDerWaalsContact CZ3-CB 3.44Å; H52-N54 PolarHBondContact O-N 2.83Å; N54-H86 WeakPolarHBondContact CB-NE2 3.05Å; N54-H86 PolarHBondContact ND2-NE2 2.89Å
55	S	88.9	Confident	86.7	Confident	49 Å²	49	43.4 Å²	43.4	34%	0.343	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-96.2	121	-178.3	-68	0	0	0	0	108.8	E57 R166	S55-E57 PolarHBondContact O-N 3.15Å; S55-R166 VanDerWaalsContact CB-CZ 3.46Å; S55-R166 PolarHBondContact O-NH1 2.84Å
56	P	93.9	Very high	86.8	Confident	41 Å²	41	43.3 Å²	43.3	27%	0.266	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-62.1	139.3	-174.6	25.7	-34.5	0	0	0	110.8	W154 R166	P56-W154 HydrophobicContact CG-CZ2 4.47Å; P56-R166 PolarHBondContact O-NH2 3.47Å
57	E	97.1	Very high	87	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.			trans	-113.1	139.2	171.6	-65.2	179.2	92.9	0	0	108.6	S44 T45 S55 I59 P83 Q84 E85 H86 E163 K167	S44-E57 CarbonylContact C-O 3.58Å; S44-E57 WeakPolarHBondContact CA-O 3.37Å; S44-E57 WeakPolarHBondContact CB-O 3.29Å; T45-E57 HydrophobicContact CG2-CB 4.43Å; T45-E57 PolarHBondContact N-O 3.35Å; T45-E57 PolarHBondContact OG1-N 2.91Å; S55-E57 PolarHBondContact O-N 3.15Å; E57-I59 PolarHBondContact O-N 2.9Å; E57-P83 HydrophobicContact CB-CB 3.99Å; E57-P83 WeakPolarHBondContact OE2-CB 3.37Å; E57-Q84 PolarHBondContact OE1-N 3.36Å; E57-Q84 PolarHBondContact OE2-N 2.9Å; E57-E85 PolarHBondContact OE1-N 3.21Å; E57-E85 WeakPolarHBondContact OE2-CA 3.45Å; E57-E85 WeakPolarHBondContact OE2-CB 3.48Å; E57-E85 PolarHBondContact OE2-N 3.18Å; E57-H86 PolarHBondContact OE2-N 2.83Å; E57-E163 VanDerWaalsContact CA-OE2 3.29Å; E57-E163 WeakPolarHBondContact CA-OE2 3.37Å; E57-K167 WeakPolarHBondContact OE1-CE 3.01Å; E57-K167 IonicContact OE1-NZ 3.77Å; E57-K167 PolarHBondContact OE1-NZ 2.99Å
58	I	98.4	Very high	87.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	132.7	174.4	-62.7	170.6	0	0	0	108.7	F42 E43 E60 F61 V81 L110 C159 L160 E163	F42-I58 HydrophobicContact CB-CG1 4.36Å; F42-I58 HydrophobicContact CB-CG2 4.42Å; F42-I58 HydrophobicContact CD1-CG2 4.47Å; F42-I58 HydrophobicContact CD2-CD1 3.82Å; F42-I58 HydrophobicContact CD2-CG1 4.29Å; F42-I58 HydrophobicContact CE2-CD1 3.98Å; F42-I58 HydrophobicContact CG-CD1 4.13Å; F42-I58 HydrophobicContact CG-CG1 4.33Å; F42-I58 HydrophobicContact CG-CG2 4.49Å; F42-I58 HydrophobicContact CZ-CD1 4.39Å; E43-I58 WeakPolarHBondContact O-CA 3.08Å; I58-E60 WeakPolarHBondContact CG2-O 3.32Å; I58-F61 HydrophobicContact CG2-CB 4.39Å; I58-F61 HydrophobicContact CG2-CD2 4.38Å; I58-V81 HydrophobicContact CG2-CB 4.32Å; I58-V81 HydrophobicContact CG2-CG2 4.09Å; I58-V81 WeakPolarHBondContact O-CB 3.45Å; I58-V81 VanDerWaalsContact O-CG1 3.27Å; I58-V81 WeakPolarHBondContact O-CG1 3.28Å; I58-L110 HydrophobicContact CD1-CD1 4.19Å; I58-C159 VanDerWaalsContact CG1-SG 3.53Å; I58-L160 HydrophobicContact CD1-CB 4.07Å; I58-L160 HydrophobicContact CD1-CD1 3.82Å; I58-E163 WeakPolarHBondContact CG1-OE2 3.35Å; I58-E163 PolarHBondContact N-OE2 2.8Å
59	I	98.6	Very high	87.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-15.8	175	61.7	176.2	0	0	0	113	E43 T45 E57 Y80 V81 P83 L89 I99 V104	E43-I59 HydrophobicContact CB-CG1 4.23Å; E43-I59 PolarHBondContact O-N 2.91Å; T45-I59 HydrophobicContact CG2-CG2 3.63Å; E57-I59 PolarHBondContact O-N 2.9Å; I59-Y80 WeakPolarHBondContact O-CA 3.33Å; I59-V81 WeakPolarHBondContact CA-O 3.38Å; I59-V81 PolarHBondContact O-N 3.16Å; I59-P83 HydrophobicContact CG2-CB 4.25Å; I59-P83 HydrophobicContact CG2-CG 3.83Å; I59-L89 HydrophobicContact CD1-CD1 4.49Å; I59-L89 HydrophobicContact CD1-CD2 3.98Å; I59-L89 HydrophobicContact CG2-CD2 4.13Å; I59-I99 HydrophobicContact CD1-CD1 3.81Å; I59-I99 HydrophobicContact CG1-CD1 3.81Å; I59-V104 HydrophobicContact CB-CG1 3.81Å; I59-V104 HydrophobicContact CG2-CG1 4.15Å
60	E	98.8	Very high	88.5	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	130.5	169.9	-168.3	-176.5	172.4	0	0	109.6	E43 I58 P62 H78 Y80 I99 G214 L215	E43-E60 HydrophobicContact CB-CB 3.99Å; E43-E60 PolarHBondContact N-O 3.29Å; E43-E60 PolarHBondContact O-N 3.13Å; I58-E60 WeakPolarHBondContact CG2-O 3.32Å; E60-P62 HydrophobicContact CG-CG 4.21Å; E60-H78 IonicContact OE1-CD2 3.89Å; E60-H78 PolarHBondContact OE1-CD2 2.86Å; E60-H78 IonicContact OE1-CE1 2.76Å; E60-H78 IonicContact OE1-NE2 3.05Å; E60-H78 PolarHBondContact OE1-NE2 2.8Å; E60-Y80 HydrophobicContact CB-CD1 4.27Å; E60-Y80 HydrophobicContact CB-CE1 4.32Å; E60-Y80 HydrophobicContact CG-CD1 4.16Å; E60-Y80 HydrophobicContact CG-CE1 3.92Å; E60-I99 HydrophobicContact CB-CD1 3.88Å; E60-G214 VanDerWaalsContact CD-N 3.33Å; E60-G214 PolarHBondContact OE1-N 2.95Å; E60-G214 PolarHBondContact OE2-N 3.15Å; E60-L215 PolarHBondContact OE1-N 3.44Å
61	F	98.7	Very high	90.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	88.9	177.5	-160	-59.2	0	0	0	109.8	F42 I58 F77 A79 V81 L110 C113 L114 F117	F42-F61 HydrophobicContact CD1-CD1 4.5Å; F42-F61 HydrophobicContact CD1-CD2 4.15Å; F42-F61 HydrophobicContact CD1-CG 4.14Å; F42-F61 HydrophobicContact CE1-CB 4.47Å; F42-F61 AromaticContact CE1-CD1 3.72Å; F42-F61 HydrophobicContact CE1-CD1 3.72Å; F42-F61 AromaticContact CE1-CD2 3.5Å; F42-F61 HydrophobicContact CE1-CD2 3.5Å; F42-F61 AromaticContact CE1-CE1 3.71Å; F42-F61 HydrophobicContact CE1-CE1 3.71Å; F42-F61 AromaticContact CE1-CE2 3.5Å; F42-F61 HydrophobicContact CE1-CE2 3.5Å; F42-F61 VanDerWaalsContact CE1-CE2 3.5Å; F42-F61 AromaticContact CE1-CG 3.62Å; F42-F61 HydrophobicContact CE1-CG 3.62Å; F42-F61 AromaticContact CE1-CZ 3.61Å; F42-F61 HydrophobicContact CE1-CZ 3.61Å; F42-F61 HydrophobicContact CZ-CD2 4.04Å; F42-F61 HydrophobicContact CZ-CE1 4.2Å; F42-F61 AromaticContact CZ-CE2 3.59Å; F42-F61 HydrophobicContact CZ-CE2 3.59Å; F42-F61 AromaticContact CZ-CZ 3.68Å; F42-F61 HydrophobicContact CZ-CZ 3.68Å; I58-F61 HydrophobicContact CG2-CB 4.39Å; I58-F61 HydrophobicContact CG2-CD2 4.38Å; F61-F77 HydrophobicContact CB-CE1 4.43Å; F61-F77 HydrophobicContact CD1-CD1 4.02Å; F61-F77 AromaticContact CD1-CE1 3.68Å; F61-F77 HydrophobicContact CD1-CE1 3.68Å; F61-F77 HydrophobicContact CE1-CE1 4.34Å; F61-F77 HydrophobicContact CG-CE1 4.32Å; F61-F77 WeakPolarHBondContact O-CD1 3.36Å; F61-F77 WeakPolarHBondContact O-CE1 3.38Å; F61-A79 PolarHBondContact N-O 2.86Å; F61-A79 PolarHBondContact O-N 2.93Å; F61-V81 HydrophobicContact CB-CG2 4Å; F61-L110 HydrophobicContact CD2-CD1 4.31Å; F61-C113 WeakPolarHBondContact CB-SG 3.23Å; F61-C113 VanDerWaalsContact CG-SG 3.6Å; F61-L114 HydrophobicContact CE2-CD2 3.8Å; F61-L114 HydrophobicContact CZ-CD2 4.1Å; F61-F117 HydrophobicContact CD1-CD2 4.4Å; F61-F117 HydrophobicContact CE1-CB 4.23Å; F61-F117 AromaticContact CE1-CD1 3.9Å; F61-F117 HydrophobicContact CE1-CD1 3.9Å; F61-F117 AromaticContact CE1-CD2 3.71Å; F61-F117 HydrophobicContact CE1-CD2 3.71Å; F61-F117 HydrophobicContact CE1-CE1 4.16Å; F61-F117 AromaticContact CE1-CE2 4Å; F61-F117 HydrophobicContact CE1-CE2 4Å; F61-F117 AromaticContact CE1-CG 3.66Å; F61-F117 HydrophobicContact CE1-CG 3.66Å; F61-F117 HydrophobicContact CE1-CZ 4.2Å; F61-F117 HydrophobicContact CZ-CB 4.49Å; F61-F117 AromaticContact CZ-CD1 3.93Å; F61-F117 HydrophobicContact CZ-CD1 3.93Å; F61-F117 HydrophobicContact CZ-CE1 4.28Å; F61-F117 HydrophobicContact CZ-CG 4.06Å
62	P	98.5	Very high	92.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	155	171.6	14.7	3.7	0	0	0	111.6	D41 E60 F77 G214 L215	D41-P62 WeakPolarHBondContact O-CD 3.47Å; D41-P62 VanDerWaalsContact O-CG 3.23Å; D41-P62 WeakPolarHBondContact O-CG 3.19Å; E60-P62 HydrophobicContact CG-CG 4.21Å; P62-F77 CarbonylContact C-O 3.52Å; P62-F77 WeakPolarHBondContact CA-O 3.46Å; P62-G214 WeakPolarHBondContact CG-O 3.16Å; P62-L215 HydrophobicContact CB-CB 4.07Å; P62-L215 HydrophobicContact CB-CD1 4.07Å
63	A	98.6	Very high	94.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	142.5	159.5	0	0	0	0	0	110.7	I38 V39 I40 E76 F77 F117 W120	I38-A63 HydrophobicContact CG2-CB 3.96Å; V39-A63 CarbonylContact O-C 3.59Å; V39-A63 VanDerWaalsContact O-CA 3.27Å; V39-A63 WeakPolarHBondContact O-CA 3.48Å; I40-A63 HydrophobicContact CD1-CB 4.48Å; I40-A63 HydrophobicContact CG1-CB 3.86Å; A63-E76 CarbonylContact O-C 3.59Å; A63-E76 WeakPolarHBondContact O-CA 3.48Å; A63-F77 HydrophobicContact CB-CB 4.26Å; A63-F77 PolarHBondContact N-O 3.42Å; A63-F77 PolarHBondContact O-N 3.37Å; A63-F117 HydrophobicContact CB-CE2 3.6Å; A63-F117 HydrophobicContact CB-CZ 4.24Å; A63-W120 HydrophobicContact CB-CH2 4.13Å; A63-W120 HydrophobicContact CB-CZ3 4.15Å
64	V	98.7	Very high	95.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.7	176	-55.9	0	0	0	0	111.5	I38 V39 I73 E76 L215 R219 A222	I38-V64 WeakPolarHBondContact CA-O 3.38Å; V39-V64 HydrophobicContact CB-CG2 3.83Å; V39-V64 HydrophobicContact CG2-CG2 4.36Å; V39-V64 PolarHBondContact N-O 3.01Å; V39-V64 PolarHBondContact O-N 3.23Å; V64-I73 HydrophobicContact CB-CD1 4.32Å; V64-I73 HydrophobicContact CB-CG2 3.95Å; V64-I73 HydrophobicContact CG2-CD1 4.25Å; V64-E76 HydrophobicContact CB-CG 4.36Å; V64-E76 HydrophobicContact CG1-CB 4.33Å; V64-E76 HydrophobicContact CG1-CG 3.83Å; V64-E76 WeakPolarHBondContact CG1-OE1 3.39Å; V64-L215 HydrophobicContact CG1-CD1 3.94Å; V64-R219 HydrophobicContact CG1-CG 4.13Å; V64-A222 HydrophobicContact CG2-CB 3.93Å
65	L	98.4	Very high	96.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	101.8	-178.9	178.4	66.7	0	0	0	110.1	Y36 I38 I73 E74 S75 W120 I124 I130	Y36-L65 HydrophobicContact CD1-CD1 3.89Å; Y36-L65 HydrophobicContact CD1-CG 4.09Å; Y36-L65 HydrophobicContact CG-CD1 4.1Å; I38-L65 HydrophobicContact CD1-CD1 4.48Å; I38-L65 HydrophobicContact CG1-CD1 3.72Å; L65-I73 CarbonylContact O-C 3.59Å; L65-I73 WeakPolarHBondContact O-CA 3.45Å; L65-E74 HydrophobicContact CD2-CB 4.42Å; L65-E74 PolarHBondContact O-N 2.84Å; L65-S75 WeakPolarHBondContact CB-O 3.43Å; L65-S75 PolarHBondContact N-O 3.47Å; L65-W120 HydrophobicContact CB-CH2 4.32Å; L65-W120 HydrophobicContact CB-CZ2 4.41Å; L65-I124 HydrophobicContact CD1-CD1 4.17Å; L65-I124 HydrophobicContact CD2-CB 4.21Å; L65-I124 HydrophobicContact CD2-CD1 4.15Å; L65-I124 HydrophobicContact CD2-CG2 4.17Å; L65-I130 HydrophobicContact CD1-CD1 4.42Å
66	L	98.2	Very high	97.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.2	177.8	175.5	68.8	0	0	0	111.4	Y36 L37 G71 A222 A225 W226	Y36-L66 CarbonylContact C-O 3.46Å; Y36-L66 WeakPolarHBondContact CA-O 3.31Å; L37-L66 HydrophobicContact CB-CB 4.37Å; L37-L66 HydrophobicContact CD1-CD2 4.34Å; L37-L66 PolarHBondContact N-O 3.37Å; L37-L66 PolarHBondContact O-N 3.38Å; L66-G71 WeakPolarHBondContact CD1-O 3.22Å; L66-A222 HydrophobicContact CB-CB 4.27Å; L66-A222 HydrophobicContact CD1-CB 4.43Å; L66-A222 HydrophobicContact CD2-CB 4.17Å; L66-A222 WeakPolarHBondContact CD2-O 3.42Å; L66-A225 HydrophobicContact CD2-CB 4.12Å; L66-W226 HydrophobicContact CD1-CB 4.39Å; L66-W226 HydrophobicContact CD2-CB 4.3Å
67	S	96.9	Very high	97.5	Very high	5 Å²	5	25.7 Å²	25.7	4%	0.035	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.8	169.3	-158.5	0	0	0	0	110.8	A69 T70 G71 E72 E74	S67-A69 VanDerWaalsContact C-N 3.28Å; S67-A69 PolarHBondContact O-N 3.4Å; S67-T70 WeakPolarHBondContact CB-OG1 3.48Å; S67-G71 WeakPolarHBondContact O-CA 3.4Å; S67-G71 PolarHBondContact O-N 3.34Å; S67-E72 PolarHBondContact N-O 2.67Å; S67-E74 WeakPolarHBondContact CB-OE1 3.48Å; S67-E74 PolarHBondContact OG-OE1 2.76Å
68	T	95.7	Very high	97.5	Very high	17 Å²	17	29.1 Å²	29.1	10%	0.104	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-5.8	178.3	72.5	0	0	0	0	113.5	Y34 D35 L37 W226 I229	Y34-T68 WeakPolarHBondContact O-CB 3.46Å; Y34-T68 VanDerWaalsContact O-CG2 3.22Å; Y34-T68 WeakPolarHBondContact O-CG2 3.39Å; Y34-T68 PolarHBondContact O-OG1 3.22Å; D35-T68 VanDerWaalsContact CA-OG1 3.32Å; D35-T68 WeakPolarHBondContact CA-OG1 3.46Å; D35-T68 PolarHBondContact O-N 2.86Å; D35-T68 PolarHBondContact O-OG1 3.13Å; D35-T68 VanDerWaalsContact O-OG1 3.13Å; L37-T68 HydrophobicContact CD1-CG2 3.92Å; L37-T68 HydrophobicContact CG-CG2 3.79Å; T68-W226 VanDerWaalsContact O-CZ3 3.31Å; T68-W226 WeakPolarHBondContact O-CZ3 3.42Å; T68-I229 HydrophobicContact CG2-CD1 3.94Å
69	A	93.2	Very high	97.5	Very high	70 Å²	70	29.7 Å²	29.7	58%	0.579	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-47.6	174.7	0	0	0	0	0	112.6	S67	S67-A69 VanDerWaalsContact C-N 3.28Å; S67-A69 PolarHBondContact O-N 3.4Å
70	T	94.5	Very high	97.6	Very high	67 Å²	67	32.9 Å²	32.9	41%	0.411	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-31.3	-178.5	66.5	0	0	0	0	113.2	S67 E72 W226	S67-T70 WeakPolarHBondContact CB-OG1 3.48Å; T70-E72 WeakPolarHBondContact CB-OE2 3.44Å; T70-E72 WeakPolarHBondContact CG2-OE2 3.27Å; T70-E72 WeakPolarHBondContact OG1-CB 3.35Å; T70-E72 WeakPolarHBondContact OG1-CG 3.48Å; T70-E72 PolarHBondContact OG1-N 3.36Å; T70-E72 PolarHBondContact OG1-OE2 3.49Å; T70-W226 WeakPolarHBondContact O-CZ2 3.26Å
71	G	95.2	Very high	97.6	Very high	10 Å²	10	32.9 Å²	32.9	10%	0.103	18%	0.179	C	C	.	.			trans	85.9	9.8	-170.9	0	0	0	0	0	115.1	L66 S67 W226	L66-G71 WeakPolarHBondContact CD1-O 3.22Å; S67-G71 WeakPolarHBondContact O-CA 3.4Å; S67-G71 PolarHBondContact O-N 3.34Å; G71-W226 VanDerWaalsContact CA-CD2 3.45Å
72	E	97.3	Very high	97.5	Very high	120 Å²	120	36 Å²	36	56%	0.561	19%	0.194	S	C	*	.			trans	-88.8	154.6	-179.2	-63.5	159.3	145.8	0	0	111.4	S67 T70	S67-E72 PolarHBondContact N-O 2.67Å; T70-E72 WeakPolarHBondContact CB-OE2 3.44Å; T70-E72 WeakPolarHBondContact CG2-OE2 3.27Å; T70-E72 WeakPolarHBondContact OG1-CB 3.35Å; T70-E72 WeakPolarHBondContact OG1-CG 3.48Å; T70-E72 PolarHBondContact OG1-N 3.36Å; T70-E72 PolarHBondContact OG1-OE2 3.49Å
73	I	97.9	Very high	97.5	Very high	61 Å²	61	36.1 Å²	36.1	31%	0.313	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	109.4	171.3	-63.5	175.8	0	0	0	107.6	V64 L65 E76 R219 A222	V64-I73 HydrophobicContact CB-CD1 4.32Å; V64-I73 HydrophobicContact CB-CG2 3.95Å; V64-I73 HydrophobicContact CG2-CD1 4.25Å; L65-I73 CarbonylContact O-C 3.59Å; L65-I73 WeakPolarHBondContact O-CA 3.45Å; I73-E76 HydrophobicContact CG2-CG 3.72Å; I73-R219 HydrophobicContact CD1-CB 4.25Å; I73-R219 HydrophobicContact CD1-CG 3.95Å; I73-A222 HydrophobicContact CD1-CB 4.33Å
74	E	97.3	Very high	97.3	Very high	61 Å²	61	41.3 Å²	41.3	29%	0.285	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-11.8	-173.8	-68.5	-173.6	-155.1	0	0	113.7	Y36 L65 S67 K128	Y36-E74 VanDerWaalsContact CE1-CD 3.46Å; Y36-E74 HydrophobicContact CE1-CG 4.45Å; Y36-E74 WeakPolarHBondContact CE1-OE1 3.43Å; Y36-E74 WeakPolarHBondContact CE1-OE2 3.34Å; Y36-E74 PolarHBondContact OH-OE1 2.83Å; Y36-E74 PolarHBondContact OH-OE2 2.73Å; L65-E74 HydrophobicContact CD2-CB 4.42Å; L65-E74 PolarHBondContact O-N 2.84Å; S67-E74 WeakPolarHBondContact CB-OE1 3.48Å; S67-E74 PolarHBondContact OG-OE1 2.76Å; E74-K128 VanDerWaalsContact OE2-CE 3.31Å; E74-K128 WeakPolarHBondContact OE2-CE 3.48Å; E74-K128 IonicContact OE2-NZ 2.66Å; E74-K128 PolarHBondContact OE2-NZ 2.9Å
75	S	97.8	Very high	97.1	Very high	32 Å²	32	45.3 Å²	45.3	22%	0.224	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	150.7	176.5	-170.3	0	0	0	0	110.6	L65 W120	L65-S75 WeakPolarHBondContact CB-O 3.43Å; L65-S75 PolarHBondContact N-O 3.47Å; S75-W120 PolarHBondContact OG-NE1 3.04Å
76	E	98.4	Very high	96.9	Very high	74 Å²	74	47.8 Å²	47.8	35%	0.346	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.5	173.5	-56.1	-167	139.5	0	0	110.6	A63 V64 I73 W120 R219	A63-E76 CarbonylContact O-C 3.59Å; A63-E76 WeakPolarHBondContact O-CA 3.48Å; V64-E76 HydrophobicContact CB-CG 4.36Å; V64-E76 HydrophobicContact CG1-CB 4.33Å; V64-E76 HydrophobicContact CG1-CG 3.83Å; V64-E76 WeakPolarHBondContact CG1-OE1 3.39Å; I73-E76 HydrophobicContact CG2-CG 3.72Å; E76-W120 PolarHBondContact O-NE1 2.8Å; E76-R219 IonicContact OE1-CZ 3.58Å; E76-R219 IonicContact OE1-NE 3.6Å; E76-R219 PolarHBondContact OE1-NE 3.49Å; E76-R219 IonicContact OE1-NH2 2.73Å; E76-R219 PolarHBondContact OE1-NH2 2.85Å; E76-R219 IonicContact OE2-CZ 2.8Å; E76-R219 IonicContact OE2-NE 3.47Å; E76-R219 IonicContact OE2-NH2 3.41Å; E76-R219 PolarHBondContact OE2-NH2 3.37Å
77	F	98.6	Very high	96.8	Very high	21 Å²	21	50.9 Å²	50.9	9%	0.092	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.5	166.5	174.8	-90.2	0	0	0	108	F61 P62 A63 A79 Q116 F117 W120	F61-F77 HydrophobicContact CB-CE1 4.43Å; F61-F77 HydrophobicContact CD1-CD1 4.02Å; F61-F77 AromaticContact CD1-CE1 3.68Å; F61-F77 HydrophobicContact CD1-CE1 3.68Å; F61-F77 HydrophobicContact CE1-CE1 4.34Å; F61-F77 HydrophobicContact CG-CE1 4.32Å; F61-F77 WeakPolarHBondContact O-CD1 3.36Å; F61-F77 WeakPolarHBondContact O-CE1 3.38Å; P62-F77 CarbonylContact C-O 3.52Å; P62-F77 WeakPolarHBondContact CA-O 3.46Å; A63-F77 HydrophobicContact CB-CB 4.26Å; A63-F77 PolarHBondContact N-O 3.42Å; A63-F77 PolarHBondContact O-N 3.37Å; F77-A79 HydrophobicContact CE1-CB 4.15Å; F77-A79 HydrophobicContact CZ-CB 4.1Å; F77-Q116 HydrophobicContact CE2-CB 3.97Å; F77-Q116 HydrophobicContact CZ-CB 4.15Å; F77-F117 HydrophobicContact CB-CD2 4.42Å; F77-F117 AromaticContact CD1-CD2 3.7Å; F77-F117 HydrophobicContact CD1-CD2 3.7Å; F77-F117 HydrophobicContact CD1-CE2 4.39Å; F77-F117 HydrophobicContact CD2-CD2 4.28Å; F77-F117 HydrophobicContact CE1-CB 4.16Å; F77-F117 AromaticContact CE1-CD2 3.99Å; F77-F117 HydrophobicContact CE1-CD2 3.99Å; F77-F117 HydrophobicContact CE2-CB 4.28Å; F77-F117 AromaticContact CG-CD2 3.87Å; F77-F117 HydrophobicContact CG-CD2 3.87Å; F77-F117 HydrophobicContact CZ-CB 3.95Å; F77-F117 HydrophobicContact CZ-CD2 4.4Å; F77-W120 HydrophobicContact CB-CD2 3.74Å; F77-W120 HydrophobicContact CB-CE3 4.18Å; F77-W120 HydrophobicContact CB-CG 3.96Å; F77-W120 HydrophobicContact CB-CZ2 4.14Å; F77-W120 HydrophobicContact CD2-CB 3.83Å; F77-W120 AromaticContact CD2-CG 3.95Å; F77-W120 HydrophobicContact CD2-CG 3.95Å; F77-W120 HydrophobicContact CE2-CB 4.49Å; F77-W120 HydrophobicContact CG-CD2 4.46Å; F77-W120 HydrophobicContact CG-CG 4.36Å
78	H	98.6	Very high	96.7	Very high	72 Å²	72	55.8 Å²	55.8	33%	0.333	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	136.1	176.7	-172.3	-122.1	0	0	0	109.9	E60 Y80 L215	E60-H78 IonicContact OE1-CD2 3.89Å; E60-H78 PolarHBondContact OE1-CD2 2.86Å; E60-H78 IonicContact OE1-CE1 2.76Å; E60-H78 IonicContact OE1-NE2 3.05Å; E60-H78 PolarHBondContact OE1-NE2 2.8Å; H78-Y80 AromaticContact CE1-CE2 3.79Å; H78-Y80 AromaticContact CE1-CZ 3.61Å; H78-L215 HydrophobicContact CB-CD2 4.38Å
79	A	98.6	Very high	96.8	Very high	12 Å²	12	55.6 Å²	55.6	10%	0.099	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	140.4	171.4	0	0	0	0	0	109.9	F61 F77	F61-A79 PolarHBondContact N-O 2.86Å; F61-A79 PolarHBondContact O-N 2.93Å; F77-A79 HydrophobicContact CE1-CB 4.15Å; F77-A79 HydrophobicContact CZ-CB 4.1Å
80	Y	98.8	Very high	96.9	Very high	67 Å²	67	53.5 Å²	53.5	26%	0.263	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	141.8	160.8	-66.3	-65.3	0	0	0	109.7	I59 E60 H78 I99 Q103 G107 V108	I59-Y80 WeakPolarHBondContact O-CA 3.33Å; E60-Y80 HydrophobicContact CB-CD1 4.27Å; E60-Y80 HydrophobicContact CB-CE1 4.32Å; E60-Y80 HydrophobicContact CG-CD1 4.16Å; E60-Y80 HydrophobicContact CG-CE1 3.92Å; H78-Y80 AromaticContact CE1-CE2 3.79Å; H78-Y80 AromaticContact CE1-CZ 3.61Å; Y80-I99 HydrophobicContact CD1-CG2 4.13Å; Y80-I99 HydrophobicContact CE1-CD1 4.22Å; Y80-I99 HydrophobicContact CE1-CG1 4.02Å; Y80-I99 HydrophobicContact CE1-CG2 4.16Å; Y80-Q103 WeakPolarHBondContact CB-O 3.4Å; Y80-Q103 HydrophobicContact CD2-CB 4.11Å; Y80-Q103 HydrophobicContact CE2-CB 4.38Å; Y80-Q103 HydrophobicContact CG-CB 4.21Å; Y80-Q103 PolarHBondContact OH-NE2 3.31Å; Y80-G107 WeakPolarHBondContact O-CA 3.27Å; Y80-V108 PolarHBondContact O-N 2.76Å
81	V	98.7	Very high	96.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.1	-173.4	179.6	0	0	0	0	109.1	I58 I59 F61 P83 V108 L110 C113	I58-V81 HydrophobicContact CG2-CB 4.32Å; I58-V81 HydrophobicContact CG2-CG2 4.09Å; I58-V81 WeakPolarHBondContact O-CB 3.45Å; I58-V81 VanDerWaalsContact O-CG1 3.27Å; I58-V81 WeakPolarHBondContact O-CG1 3.28Å; I59-V81 WeakPolarHBondContact CA-O 3.38Å; I59-V81 PolarHBondContact O-N 3.16Å; F61-V81 HydrophobicContact CB-CG2 4Å; V81-P83 VanDerWaalsContact O-CD 3.3Å; V81-P83 WeakPolarHBondContact O-CD 3.48Å; V81-V108 VanDerWaalsContact CA-O 3.28Å; V81-V108 WeakPolarHBondContact CA-O 3.41Å; V81-L110 HydrophobicContact CG1-CB 3.96Å; V81-L110 HydrophobicContact CG1-CD1 4.38Å; V81-C113 HydrophobicContact CG2-CB 3.93Å
82	Q	98.3	Very high	96.9	Very high	67 Å²	67	57.9 Å²	57.9	31%	0.313	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	117	178.6	-174.1	179.7	83.5	0	0	110.4	V104 D105 G107 V108	Q82-V104 WeakPolarHBondContact CA-O 3.35Å; Q82-V104 VanDerWaalsContact CB-O 3.3Å; Q82-V104 WeakPolarHBondContact CB-O 3.13Å; Q82-V104 WeakPolarHBondContact CG-O 3.2Å; Q82-D105 PolarHBondContact NE2-O 3.33Å; Q82-G107 WeakPolarHBondContact CB-O 3.2Å; Q82-V108 PolarHBondContact N-O 2.89Å
83	P	97.4	Very high	96.8	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.013	26%	0.264	C	S	.	.			trans	-72.6	144.8	171.9	25.1	-23	0	0	0	110.5	T45 E57 I59 V81 P87 L89	T45-P83 HydrophobicContact CG2-CB 3.85Å; T45-P83 HydrophobicContact CG2-CG 3.97Å; E57-P83 HydrophobicContact CB-CB 3.99Å; E57-P83 WeakPolarHBondContact OE2-CB 3.37Å; I59-P83 HydrophobicContact CG2-CB 4.25Å; I59-P83 HydrophobicContact CG2-CG 3.83Å; V81-P83 VanDerWaalsContact O-CD 3.3Å; V81-P83 WeakPolarHBondContact O-CD 3.48Å; P83-P87 WeakPolarHBondContact O-CA 3.46Å; P83-L89 HydrophobicContact CG-CD2 4.46Å
84	Q	95.1	Very high	96.7	Very high	108 Å²	108	51.6 Å²	51.6	51%	0.505	26%	0.263	S	S	.	.	S	Bend	trans	-121.8	-26.3	-168.7	-59.7	-179.3	-74.2	0	0	112.8	E57	E57-Q84 PolarHBondContact OE1-N 3.36Å; E57-Q84 PolarHBondContact OE2-N 2.9Å
85	E	93.8	Very high	96.7	Very high	84 Å²	84	54 Å²	54	39%	0.393	27%	0.274	S	S	.	.	S	Bend	trans	-87.4	-32.5	172.3	-61.8	175.9	-142.3	0	0	110.7	E57 R166	E57-E85 PolarHBondContact OE1-N 3.21Å; E57-E85 WeakPolarHBondContact OE2-CA 3.45Å; E57-E85 WeakPolarHBondContact OE2-CB 3.48Å; E57-E85 PolarHBondContact OE2-N 3.18Å; E85-R166 IonicContact OE1-CZ 2.84Å; E85-R166 IonicContact OE1-NE 2.62Å; E85-R166 IonicContact OE1-NH1 2.66Å; E85-R166 PolarHBondContact OE1-NH1 3.41Å; E85-R166 IonicContact OE2-CZ 2.64Å; E85-R166 IonicContact OE2-NH1 2.62Å; E85-R166 PolarHBondContact OE2-NH1 2.93Å
86	H	93.8	Very high	96.5	Very high	52 Å²	52	54 Å²	54	24%	0.241	27%	0.272	C	S	.	.	S	Bend	trans	-135.5	69.3	179.3	-61.5	-37.6	0	0	0	111.1	W47 N54 E57 V88	W47-H86 HydrophobicContact CH2-CB 4.4Å; W47-H86 AromaticContact CH2-CD2 3.49Å; W47-H86 VanDerWaalsContact CH2-CD2 3.49Å; W47-H86 WeakPolarHBondContact CH2-CD2 3.5Å; W47-H86 HydrophobicContact CZ2-CB 3.94Å; W47-H86 AromaticContact CZ2-CD2 3.59Å; W47-H86 AromaticContact CZ2-CG 3.84Å; N54-H86 WeakPolarHBondContact CB-NE2 3.05Å; N54-H86 PolarHBondContact ND2-NE2 2.89Å; E57-H86 PolarHBondContact OE2-N 2.83Å; H86-V88 VanDerWaalsContact C-N 3.32Å; H86-V88 PolarHBondContact O-N 3.25Å
87	P	95.9	Very high	96.4	Very high	67 Å²	67	50.6 Å²	50.6	44%	0.435	26%	0.256	S	S	.	.			trans	-60.9	-35.3	-174.3	22.5	-33.6	0	0	0	114	P83 Q101	P83-P87 WeakPolarHBondContact O-CA 3.46Å; P87-Q101 PolarHBondContact O-NE2 2.82Å
88	V	96.6	Very high	96.3	Very high	108 Å²	108	51 Å²	51	66%	0.655	27%	0.267	S	S	*	.	S	Bend	trans	-85	118.4	178.6	-176.1	0	0	0	0	110.2	H86	H86-V88 VanDerWaalsContact C-N 3.32Å; H86-V88 PolarHBondContact O-N 3.25Å
89	L	96.4	Very high	96.3	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.068	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-65.8	144.8	174.5	-57.2	-175.4	0	0	0	110.5	T45 I59 P83 I99 V104	T45-L89 HydrophobicContact CG2-CD2 3.93Å; I59-L89 HydrophobicContact CD1-CD1 4.49Å; I59-L89 HydrophobicContact CD1-CD2 3.98Å; I59-L89 HydrophobicContact CG2-CD2 4.13Å; P83-L89 HydrophobicContact CG-CD2 4.46Å; L89-I99 HydrophobicContact CD1-CG2 4.36Å; L89-V104 HydrophobicContact CD1-CG1 4.18Å; L89-V104 HydrophobicContact CD1-CG2 3.9Å; L89-V104 HydrophobicContact CD2-CG1 4.48Å; L89-V104 HydrophobicContact CD2-CG2 4.13Å; L89-V104 HydrophobicContact CG-CG2 3.87Å
90	S	95	Very high	96.3	Very high	26 Å²	26	53.7 Å²	53.7	18%	0.182	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-75.1	151.6	168.7	81.1	0	0	0	0	110.6	C46 F92 C93 T94	C46-S90 PolarHBondContact O-OG 3.04Å; S90-F92 PolarHBondContact O-N 3.3Å; S90-C93 WeakPolarHBondContact O-CA 3.41Å; S90-C93 VanDerWaalsContact O-CB 3.32Å; S90-C93 WeakPolarHBondContact O-CB 3.4Å; S90-C93 PolarHBondContact O-N 3.22Å; S90-C93 PolarHBondContact OG-N 3.5Å; S90-C93 VanDerWaalsContact OG-N 3.11Å; S90-T94 PolarHBondContact O-N 2.99Å; S90-T94 PolarHBondContact O-OG1 2.91Å
91	E	95	Very high	96.2	Very high	147 Å²	147	53 Å²	53	69%	0.687	27%	0.274	S	S	*	.	H	α-helix	trans	-48.1	-48.5	170.5	178.3	-175.7	-123.4	0	0	110.7	C93 T94 E95	E91-C93 VanDerWaalsContact C-N 3.29Å; E91-C93 PolarHBondContact O-N 3.45Å; E91-T94 CarbonylContact O-C 3.52Å; E91-T94 WeakPolarHBondContact O-CB 3.35Å; E91-T94 PolarHBondContact O-N 2.9Å; E91-T94 VanDerWaalsContact O-N 3.09Å; E91-E95 HydrophobicContact CG-CG 4.4Å; E91-E95 WeakPolarHBondContact O-CG 3.37Å; E91-E95 PolarHBondContact O-N 3.36Å
92	F	94.8	Very high	96.2	Very high	22 Å²	22	56.9 Å²	56.9	10%	0.096	30%	0.297	C	S	.	.	H	α-helix	trans	-58.9	-34.7	176.2	177.3	-98.9	0	0	0	114	K48 S90 L96 L679 L681	K48-F92 HydrophobicContact CB-CB 4.08Å; K48-F92 HydrophobicContact CB-CD1 4.45Å; K48-F92 HydrophobicContact CB-CD2 4.25Å; K48-F92 HydrophobicContact CB-CG 3.98Å; K48-F92 HydrophobicContact CD-CB 4.41Å; K48-F92 HydrophobicContact CD-CD2 4.2Å; K48-F92 HydrophobicContact CG-CD2 3.96Å; K48-F92 HydrophobicContact CG-CE2 4.49Å; K48-F92 HydrophobicContact CG-CG 4.21Å; S90-F92 PolarHBondContact O-N 3.3Å; F92-L96 HydrophobicContact CE1-CD2 3.86Å; F92-L96 HydrophobicContact CZ-CD2 3.82Å; F92-L96 WeakPolarHBondContact O-CB 3.33Å; F92-L96 PolarHBondContact O-N 3.06Å; F92-L679 HydrophobicContact CE2-CD1 4.17Å; F92-L679 HydrophobicContact CZ-CD1 4.05Å; F92-L681 HydrophobicContact CE1-CD2 3.61Å; F92-L681 HydrophobicContact CZ-CD1 4.26Å; F92-L681 HydrophobicContact CZ-CD2 3.68Å
93	C	95.4	Very high	96.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-70	-41.3	175.5	-169.4	0	0	0	0	111.3	S90 E91 L96 T97	S90-C93 WeakPolarHBondContact O-CA 3.41Å; S90-C93 VanDerWaalsContact O-CB 3.32Å; S90-C93 WeakPolarHBondContact O-CB 3.4Å; S90-C93 PolarHBondContact O-N 3.22Å; S90-C93 PolarHBondContact OG-N 3.5Å; S90-C93 VanDerWaalsContact OG-N 3.11Å; E91-C93 VanDerWaalsContact C-N 3.29Å; E91-C93 PolarHBondContact O-N 3.45Å; C93-L96 PolarHBondContact O-N 2.89Å; C93-T97 WeakPolarHBondContact O-CB 3.43Å; C93-T97 PolarHBondContact O-N 2.93Å; C93-T97 PolarHBondContact O-OG1 2.85Å
94	T	96.4	Very high	96.2	Very high	49 Å²	49	55.8 Å²	55.8	30%	0.301	29%	0.292	S	S	.	.	H	α-helix	trans	-66.3	-45.3	176.8	-52.1	0	0	0	0	111.3	S90 E91 G98	S90-T94 PolarHBondContact O-N 2.99Å; S90-T94 PolarHBondContact O-OG1 2.91Å; E91-T94 CarbonylContact O-C 3.52Å; E91-T94 WeakPolarHBondContact O-CB 3.35Å; E91-T94 PolarHBondContact O-N 2.9Å; E91-T94 VanDerWaalsContact O-N 3.09Å; T94-G98 WeakPolarHBondContact O-CA 3.28Å; T94-G98 PolarHBondContact O-N 3.32Å
95	E	96.3	Very high	96.4	Very high	111 Å²	111	54.5 Å²	54.5	52%	0.519	29%	0.289	S	S	.	.	H	α-helix	trans	-57.3	-50.5	171.7	-72.5	-178.2	135	0	0	111.2	E91 R210	E91-E95 HydrophobicContact CG-CG 4.4Å; E91-E95 WeakPolarHBondContact O-CG 3.37Å; E91-E95 PolarHBondContact O-N 3.36Å; E95-R210 PolarHBondContact O-NH2 2.9Å
96	L	94.6	Very high	96.6	Very high	32 Å²	32	58 Å²	58	17%	0.168	31%	0.305	C	S	.	.	H	α-helix	trans	-71.9	-46	-170.4	-172.2	64.5	0	0	0	112.2	F92 C93 R210 H212 L681 M685	F92-L96 HydrophobicContact CE1-CD2 3.86Å; F92-L96 HydrophobicContact CZ-CD2 3.82Å; F92-L96 WeakPolarHBondContact O-CB 3.33Å; F92-L96 PolarHBondContact O-N 3.06Å; C93-L96 PolarHBondContact O-N 2.89Å; L96-R210 PolarHBondContact O-NH1 3.03Å; L96-H212 VanDerWaalsContact CD1-CD2 3.49Å; L96-H212 WeakPolarHBondContact CD1-CD2 3.38Å; L96-H212 WeakPolarHBondContact O-CB 3.47Å; L96-L681 HydrophobicContact CD2-CD1 4.32Å; L96-L681 HydrophobicContact CD2-CD2 4.14Å; L96-M685 HydrophobicContact CD2-CE 3.61Å; L96-M685 HydrophobicContact CD2-CG 4.12Å; L96-M685 HydrophobicContact CD2-SD 3.51Å; L96-M685 VanDerWaalsContact CD2-SD 3.51Å; L96-M685 HydrophobicContact CG-CE 4.22Å; L96-M685 HydrophobicContact CG-SD 4.49Å
97	T	96.5	Very high	96.8	Very high	3 Å²	3	56 Å²	56	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-90.8	-28.2	-177	64.6	0	0	0	0	113.5	E43 C93 I99 R210 H212 M685	E43-T97 HydrophobicContact CB-CG2 4.06Å; E43-T97 HydrophobicContact CG-CG2 3.99Å; C93-T97 WeakPolarHBondContact O-CB 3.43Å; C93-T97 PolarHBondContact O-N 2.93Å; C93-T97 PolarHBondContact O-OG1 2.85Å; T97-I99 PolarHBondContact O-N 3.47Å; T97-I99 PolarHBondContact OG1-N 3.34Å; T97-R210 VanDerWaalsContact C-CZ 3.4Å; T97-R210 VanDerWaalsContact C-NH1 3.33Å; T97-R210 VanDerWaalsContact O-CZ 3.32Å; T97-R210 PolarHBondContact O-NH1 3.3Å; T97-H212 VanDerWaalsContact CA-O 3.3Å; T97-H212 WeakPolarHBondContact CA-O 3.36Å; T97-M685 HydrophobicContact CG2-CE 4.1Å
98	G	97	Very high	96.9	Very high	30 Å²	30	54.7 Å²	54.7	31%	0.309	29%	0.289	S	S	.	.			trans	80.5	-2.9	-171.2	0	0	0	0	0	114.3	T94 K100 R210	T94-G98 WeakPolarHBondContact O-CA 3.28Å; T94-G98 PolarHBondContact O-N 3.32Å; G98-K100 PolarHBondContact O-N 3.47Å; G98-R210 VanDerWaalsContact N-NH2 3.19Å
99	I	98	Very high	97	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.015	27%	0.271	C	S	.	.			trans	-73.6	121.1	177.7	-56.3	169.6	0	0	0	108.5	E43 I59 E60 Y80 L89 T97 Q103 V104	E43-I99 HydrophobicContact CB-CD1 3.91Å; E43-I99 HydrophobicContact CG-CD1 4.43Å; I59-I99 HydrophobicContact CD1-CD1 3.81Å; I59-I99 HydrophobicContact CG1-CD1 3.81Å; E60-I99 HydrophobicContact CB-CD1 3.88Å; Y80-I99 HydrophobicContact CD1-CG2 4.13Å; Y80-I99 HydrophobicContact CE1-CD1 4.22Å; Y80-I99 HydrophobicContact CE1-CG1 4.02Å; Y80-I99 HydrophobicContact CE1-CG2 4.16Å; L89-I99 HydrophobicContact CD1-CG2 4.36Å; T97-I99 PolarHBondContact O-N 3.47Å; T97-I99 PolarHBondContact OG1-N 3.34Å; I99-Q103 HydrophobicContact CG2-CB 4.17Å; I99-V104 HydrophobicContact CG2-CG1 3.8Å
100	K	97.9	Very high	97.1	Very high	136 Å²	136	51 Å²	51	59%	0.591	27%	0.268	S	S	*	.			trans	-82.5	152.6	177.9	-58.9	173.4	-176.1	175.4	0	110.8	G98 V102 Q103	G98-K100 PolarHBondContact O-N 3.47Å; K100-V102 VanDerWaalsContact C-N 3.3Å; K100-V102 PolarHBondContact O-N 2.96Å; K100-Q103 HydrophobicContact CB-CG 4.31Å; K100-Q103 WeakPolarHBondContact O-CB 3.28Å; K100-Q103 PolarHBondContact O-N 2.84Å
101	Q	98.3	Very high	97.2	Very high	54 Å²	54	56.6 Å²	56.6	25%	0.252	29%	0.289	S	S	.	.	H	α-helix	trans	-49.4	-48.2	176.6	-172.5	59.3	50.9	0	0	112.7	P87 Q103 V104 D105	P87-Q101 PolarHBondContact O-NE2 2.82Å; Q101-Q103 PolarHBondContact O-N 3.21Å; Q101-Q103 VanDerWaalsContact O-N 3.1Å; Q101-V104 WeakPolarHBondContact O-CG2 3.44Å; Q101-V104 PolarHBondContact O-N 2.96Å; Q101-D105 WeakPolarHBondContact CG-OD2 3.29Å; Q101-D105 PolarHBondContact NE2-OD1 3.12Å; Q101-D105 VanDerWaalsContact O-CG 3.22Å; Q101-D105 PolarHBondContact O-N 3.14Å
102	V	98.3	Very high	97.4	Very high	80 Å²	80	53.4 Å²	53.4	49%	0.485	28%	0.276	S	S	.	.	H	α-helix	trans	-53.3	-35.8	178	-177.9	0	0	0	0	112.9	K100 V104 D105 E106	K100-V102 VanDerWaalsContact C-N 3.3Å; K100-V102 PolarHBondContact O-N 2.96Å; V102-V104 VanDerWaalsContact C-N 3.32Å; V102-V104 PolarHBondContact O-N 3.25Å; V102-D105 PolarHBondContact O-N 3.23Å; V102-E106 HydrophobicContact CG1-CG 4.21Å; V102-E106 WeakPolarHBondContact CG1-OE1 3.31Å; V102-E106 WeakPolarHBondContact O-CB 3.4Å; V102-E106 VanDerWaalsContact O-CG 3.32Å; V102-E106 WeakPolarHBondContact O-CG 3.39Å; V102-E106 PolarHBondContact O-N 2.81Å
103	Q	98.2	Very high	97.5	Very high	47 Å²	47	52.3 Å²	52.3	22%	0.22	27%	0.271	C	S	.	.	H	α-helix	trans	-71.8	-25.4	-178.8	-61.1	174.2	-103.4	0	0	113	Y80 I99 K100 Q101 G107	Y80-Q103 WeakPolarHBondContact CB-O 3.4Å; Y80-Q103 HydrophobicContact CD2-CB 4.11Å; Y80-Q103 HydrophobicContact CE2-CB 4.38Å; Y80-Q103 HydrophobicContact CG-CB 4.21Å; Y80-Q103 PolarHBondContact OH-NE2 3.31Å; I99-Q103 HydrophobicContact CG2-CB 4.17Å; K100-Q103 HydrophobicContact CB-CG 4.31Å; K100-Q103 WeakPolarHBondContact O-CB 3.28Å; K100-Q103 PolarHBondContact O-N 2.84Å; Q101-Q103 PolarHBondContact O-N 3.21Å; Q101-Q103 VanDerWaalsContact O-N 3.1Å; Q103-G107 PolarHBondContact O-N 2.95Å
104	V	97.8	Very high	97.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-92.1	-26.2	172.8	-60.4	0	0	0	0	112.2	I59 Q82 L89 I99 Q101 V102 G107	I59-V104 HydrophobicContact CB-CG1 3.81Å; I59-V104 HydrophobicContact CG2-CG1 4.15Å; Q82-V104 WeakPolarHBondContact CA-O 3.35Å; Q82-V104 VanDerWaalsContact CB-O 3.3Å; Q82-V104 WeakPolarHBondContact CB-O 3.13Å; Q82-V104 WeakPolarHBondContact CG-O 3.2Å; L89-V104 HydrophobicContact CD1-CG1 4.18Å; L89-V104 HydrophobicContact CD1-CG2 3.9Å; L89-V104 HydrophobicContact CD2-CG1 4.48Å; L89-V104 HydrophobicContact CD2-CG2 4.13Å; L89-V104 HydrophobicContact CG-CG2 3.87Å; I99-V104 HydrophobicContact CG2-CG1 3.8Å; Q101-V104 WeakPolarHBondContact O-CG2 3.44Å; Q101-V104 PolarHBondContact O-N 2.96Å; V102-V104 VanDerWaalsContact C-N 3.32Å; V102-V104 PolarHBondContact O-N 3.25Å; V104-G107 PolarHBondContact O-N 3.05Å
105	D	97.9	Very high	97.8	Very high	80 Å²	80	53.2 Å²	53.2	43%	0.428	28%	0.279	S	S	.	.	H	α-helix	trans	-64.9	-45.9	170.8	-60.4	-26.5	0	0	0	110.6	Q82 Q101 V102 G107	Q82-D105 PolarHBondContact NE2-O 3.33Å; Q101-D105 WeakPolarHBondContact CG-OD2 3.29Å; Q101-D105 PolarHBondContact NE2-OD1 3.12Å; Q101-D105 VanDerWaalsContact O-CG 3.22Å; Q101-D105 PolarHBondContact O-N 3.14Å; V102-D105 PolarHBondContact O-N 3.23Å; D105-G107 PolarHBondContact O-N 3.35Å
106	E	97.9	Very high	97.9	Very high	158 Å²	158	51.5 Å²	51.5	74%	0.738	27%	0.271	S	S	*	.	S	Bend	trans	-75.1	-7.2	171.4	-65.6	174.1	171.3	0	0	113.1	V102	V102-E106 HydrophobicContact CG1-CG 4.21Å; V102-E106 WeakPolarHBondContact CG1-OE1 3.31Å; V102-E106 WeakPolarHBondContact O-CB 3.4Å; V102-E106 VanDerWaalsContact O-CG 3.32Å; V102-E106 WeakPolarHBondContact O-CG 3.39Å; V102-E106 PolarHBondContact O-N 2.81Å
107	G	97.8	Very high	98.1	Very high	10 Å²	10	50 Å²	50	10%	0.103	26%	0.263	C	S	.	.	S	Bend	trans	-68.8	158.6	-179.3	0	0	0	0	0	113.2	Y80 Q82 Q103 V104 D105	Y80-G107 WeakPolarHBondContact O-CA 3.27Å; Q82-G107 WeakPolarHBondContact CB-O 3.2Å; Q103-G107 PolarHBondContact O-N 2.95Å; V104-G107 PolarHBondContact O-N 3.05Å; D105-G107 PolarHBondContact O-N 3.35Å
108	V	98.3	Very high	98.1	Very high	39 Å²	39	51.3 Å²	51.3	24%	0.236	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	144.2	177.3	-64.3	0	0	0	0	111.4	Y80 V81 Q82 I112 C113	Y80-V108 PolarHBondContact O-N 2.76Å; V81-V108 VanDerWaalsContact CA-O 3.28Å; V81-V108 WeakPolarHBondContact CA-O 3.41Å; Q82-V108 PolarHBondContact N-O 2.89Å; V108-I112 HydrophobicContact CB-CB 4.2Å; V108-I112 HydrophobicContact CB-CG2 4.14Å; V108-I112 HydrophobicContact CG1-CG2 4.38Å; V108-C113 HydrophobicContact CG2-CB 3.91Å
109	P	98.3	Very high	98.1	Very high	43 Å²	43	56.8 Å²	56.8	28%	0.279	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	145.1	173	-25.6	34.9	0	0	0	111.8	K111 I112 C113	P109-K111 PolarHBondContact O-N 3.49Å; P109-I112 WeakPolarHBondContact O-CA 3.49Å; P109-I112 WeakPolarHBondContact O-CB 3.37Å; P109-I112 PolarHBondContact O-N 3.07Å; P109-C113 PolarHBondContact O-N 2.85Å; P109-C113 VanDerWaalsContact O-N 3.12Å
110	L	98.5	Very high	98.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-51.5	-35.2	-173	179.8	62.2	0	0	0	114.2	I58 F61 V81 I112 C113 L114 L160 E163 L169	I58-L110 HydrophobicContact CD1-CD1 4.19Å; F61-L110 HydrophobicContact CD2-CD1 4.31Å; V81-L110 HydrophobicContact CG1-CB 3.96Å; V81-L110 HydrophobicContact CG1-CD1 4.38Å; L110-I112 VanDerWaalsContact C-N 3.29Å; L110-I112 PolarHBondContact O-N 3.45Å; L110-C113 HydrophobicContact CD1-CB 4.49Å; L110-C113 PolarHBondContact O-N 3.21Å; L110-L114 HydrophobicContact CD1-CD1 4.24Å; L110-L114 HydrophobicContact CD1-CG 4.04Å; L110-L114 HydrophobicContact CG-CD1 4.02Å; L110-L114 HydrophobicContact CG-CG 4.3Å; L110-L114 WeakPolarHBondContact O-CB 3.26Å; L110-L114 WeakPolarHBondContact O-CG 3.41Å; L110-L114 PolarHBondContact O-N 3.32Å; L110-L160 HydrophobicContact CD1-CD1 4.42Å; L110-L160 HydrophobicContact CD2-CD1 4.32Å; L110-E163 HydrophobicContact CD2-CB 4.34Å; L110-E163 VanDerWaalsContact CD2-CD 3.41Å; L110-E163 HydrophobicContact CD2-CG 3.78Å; L110-E163 WeakPolarHBondContact CD2-OE1 3.17Å; L110-L169 HydrophobicContact CB-CD1 4.24Å; L110-L169 HydrophobicContact CD2-CD1 4.14Å; L110-L169 HydrophobicContact CG-CD1 4.12Å
111	K	98.1	Very high	98	Very high	144 Å²	144	51.4 Å²	51.4	63%	0.626	26%	0.263	S	S	*	.	H	α-helix	trans	-57.5	-40.5	174.7	-174	-177.2	176.1	-171.9	0	112.4	P109 S115 L169	P109-K111 PolarHBondContact O-N 3.49Å; K111-S115 PolarHBondContact O-N 3.36Å; K111-L169 HydrophobicContact CB-CD1 4.21Å; K111-L169 HydrophobicContact CB-CD2 3.85Å; K111-L169 HydrophobicContact CD-CD2 4.19Å; K111-L169 HydrophobicContact CG-CD2 4.02Å
112	I	98.3	Very high	97.8	Very high	80 Å²	80	54.1 Å²	54.1	41%	0.41	28%	0.275	S	S	.	.	H	α-helix	trans	-75.6	-43.2	178.8	-54.7	-55.7	0	0	0	110.1	V108 P109 L110 L114 S115 Q116	V108-I112 HydrophobicContact CB-CB 4.2Å; V108-I112 HydrophobicContact CB-CG2 4.14Å; V108-I112 HydrophobicContact CG1-CG2 4.38Å; P109-I112 WeakPolarHBondContact O-CA 3.49Å; P109-I112 WeakPolarHBondContact O-CB 3.37Å; P109-I112 PolarHBondContact O-N 3.07Å; L110-I112 VanDerWaalsContact C-N 3.29Å; L110-I112 PolarHBondContact O-N 3.45Å; I112-L114 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 2.98Å; I112-S115 WeakPolarHBondContact O-CB 3.22Å; I112-S115 PolarHBondContact O-N 3.28Å; I112-Q116 HydrophobicContact CG2-CG 4.43Å; I112-Q116 WeakPolarHBondContact O-CG 3.18Å; I112-Q116 PolarHBondContact O-N 3.07Å
113	C	98.6	Very high	97.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-54.9	-45.5	173.7	-172.3	0	0	0	0	111.9	F61 V81 V108 P109 L110 S115 Q116 F117	F61-C113 WeakPolarHBondContact CB-SG 3.23Å; F61-C113 VanDerWaalsContact CG-SG 3.6Å; V81-C113 HydrophobicContact CG2-CB 3.93Å; V108-C113 HydrophobicContact CG2-CB 3.91Å; P109-C113 PolarHBondContact O-N 2.85Å; P109-C113 VanDerWaalsContact O-N 3.12Å; L110-C113 HydrophobicContact CD1-CB 4.49Å; L110-C113 PolarHBondContact O-N 3.21Å; C113-S115 VanDerWaalsContact C-N 3.35Å; C113-S115 PolarHBondContact O-N 2.75Å; C113-Q116 PolarHBondContact O-N 2.95Å; C113-F117 WeakPolarHBondContact O-CB 3.39Å; C113-F117 PolarHBondContact O-N 3.2Å
114	L	98.4	Very high	97.5	Very high	10 Å²	10	54.1 Å²	54.1	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-36.3	176.5	-72.2	170.5	0	0	0	112.4	F61 L110 I112 F117 C118 L160 P172	F61-L114 HydrophobicContact CE2-CD2 3.8Å; F61-L114 HydrophobicContact CZ-CD2 4.1Å; L110-L114 HydrophobicContact CD1-CD1 4.24Å; L110-L114 HydrophobicContact CD1-CG 4.04Å; L110-L114 HydrophobicContact CG-CD1 4.02Å; L110-L114 HydrophobicContact CG-CG 4.3Å; L110-L114 WeakPolarHBondContact O-CB 3.26Å; L110-L114 WeakPolarHBondContact O-CG 3.41Å; L110-L114 PolarHBondContact O-N 3.32Å; I112-L114 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 2.98Å; L114-F117 PolarHBondContact O-N 3.48Å; L114-C118 WeakPolarHBondContact O-CB 3.39Å; L114-C118 PolarHBondContact O-N 3.4Å; L114-C118 PolarHBondContact O-SG 3.37Å; L114-L160 HydrophobicContact CD1-CD1 4.4Å; L114-L160 HydrophobicContact CD2-CD1 4.14Å; L114-P172 HydrophobicContact CD2-CG 4.27Å
115	S	98.1	Very high	97.3	Very high	57 Å²	57	56.3 Å²	56.3	40%	0.399	28%	0.278	S	S	.	.	H	α-helix	trans	-65.8	-44.8	174	-173	0	0	0	0	112	K111 I112 C113 F117 C118 K119	K111-S115 PolarHBondContact O-N 3.36Å; I112-S115 WeakPolarHBondContact O-CB 3.22Å; I112-S115 PolarHBondContact O-N 3.28Å; C113-S115 VanDerWaalsContact C-N 3.35Å; C113-S115 PolarHBondContact O-N 2.75Å; S115-F117 VanDerWaalsContact C-N 3.34Å; S115-C118 PolarHBondContact O-N 2.96Å; S115-K119 WeakPolarHBondContact O-CG 3.45Å; S115-K119 PolarHBondContact O-N 2.94Å
116	Q	98.4	Very high	96.9	Very high	76 Å²	76	60.2 Å²	60.2	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-42.6	174.8	-68.6	170.8	-13.7	0	0	111.3	F77 I112 C113 K119 W120	F77-Q116 HydrophobicContact CE2-CB 3.97Å; F77-Q116 HydrophobicContact CZ-CB 4.15Å; I112-Q116 HydrophobicContact CG2-CG 4.43Å; I112-Q116 WeakPolarHBondContact O-CG 3.18Å; I112-Q116 PolarHBondContact O-N 3.07Å; C113-Q116 PolarHBondContact O-N 2.95Å; Q116-K119 WeakPolarHBondContact O-CB 3.49Å; Q116-K119 PolarHBondContact O-N 3.18Å; Q116-W120 PolarHBondContact O-N 3.19Å
117	F	98.4	Very high	96.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.6	-44.4	176.3	-174.6	-114.5	0	0	0	112.2	I40 F61 A63 F77 C113 L114 S115 K119 W120 I121 F148 F174 L175	I40-F117 HydrophobicContact CD1-CZ 3.99Å; F61-F117 HydrophobicContact CD1-CD2 4.4Å; F61-F117 HydrophobicContact CE1-CB 4.23Å; F61-F117 AromaticContact CE1-CD1 3.9Å; F61-F117 HydrophobicContact CE1-CD1 3.9Å; F61-F117 AromaticContact CE1-CD2 3.71Å; F61-F117 HydrophobicContact CE1-CD2 3.71Å; F61-F117 HydrophobicContact CE1-CE1 4.16Å; F61-F117 AromaticContact CE1-CE2 4Å; F61-F117 HydrophobicContact CE1-CE2 4Å; F61-F117 AromaticContact CE1-CG 3.66Å; F61-F117 HydrophobicContact CE1-CG 3.66Å; F61-F117 HydrophobicContact CE1-CZ 4.2Å; F61-F117 HydrophobicContact CZ-CB 4.49Å; F61-F117 AromaticContact CZ-CD1 3.93Å; F61-F117 HydrophobicContact CZ-CD1 3.93Å; F61-F117 HydrophobicContact CZ-CE1 4.28Å; F61-F117 HydrophobicContact CZ-CG 4.06Å; A63-F117 HydrophobicContact CB-CE2 3.6Å; A63-F117 HydrophobicContact CB-CZ 4.24Å; F77-F117 HydrophobicContact CB-CD2 4.42Å; F77-F117 AromaticContact CD1-CD2 3.7Å; F77-F117 HydrophobicContact CD1-CD2 3.7Å; F77-F117 HydrophobicContact CD1-CE2 4.39Å; F77-F117 HydrophobicContact CD2-CD2 4.28Å; F77-F117 HydrophobicContact CE1-CB 4.16Å; F77-F117 AromaticContact CE1-CD2 3.99Å; F77-F117 HydrophobicContact CE1-CD2 3.99Å; F77-F117 HydrophobicContact CE2-CB 4.28Å; F77-F117 AromaticContact CG-CD2 3.87Å; F77-F117 HydrophobicContact CG-CD2 3.87Å; F77-F117 HydrophobicContact CZ-CB 3.95Å; F77-F117 HydrophobicContact CZ-CD2 4.4Å; C113-F117 WeakPolarHBondContact O-CB 3.39Å; C113-F117 PolarHBondContact O-N 3.2Å; L114-F117 PolarHBondContact O-N 3.48Å; S115-F117 VanDerWaalsContact C-N 3.34Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 2.63Å; F117-W120 HydrophobicContact CD2-CE3 4.04Å; F117-W120 AromaticContact CE2-CE3 3.64Å; F117-W120 HydrophobicContact CE2-CE3 3.64Å; F117-W120 AromaticContact CE2-CZ3 3.7Å; F117-W120 HydrophobicContact CE2-CZ3 3.7Å; F117-W120 HydrophobicContact CZ-CE3 4.45Å; F117-W120 HydrophobicContact CZ-CZ3 4.3Å; F117-W120 WeakPolarHBondContact O-CB 3.45Å; F117-W120 PolarHBondContact O-N 3.29Å; F117-W120 VanDerWaalsContact O-N 3.15Å; F117-I121 HydrophobicContact CD1-CG1 4.25Å; F117-I121 HydrophobicContact CE1-CD1 4.18Å; F117-I121 HydrophobicContact CE1-CG1 3.93Å; F117-I121 HydrophobicContact CE2-CD1 4.31Å; F117-I121 HydrophobicContact CE2-CG1 4.34Å; F117-I121 HydrophobicContact CZ-CD1 3.84Å; F117-I121 HydrophobicContact CZ-CG1 3.98Å; F117-I121 WeakPolarHBondContact O-CG1 3.44Å; F117-I121 PolarHBondContact O-N 2.85Å; F117-F148 HydrophobicContact CE1-CE1 4.43Å; F117-F148 HydrophobicContact CZ-CE1 4.1Å; F117-F174 HydrophobicContact CD1-CE2 4.47Å; F117-F174 HydrophobicContact CE1-CE2 4.05Å; F117-L175 HydrophobicContact CE1-CD1 4.16Å; F117-L175 HydrophobicContact CE1-CD2 4.1Å; F117-L175 HydrophobicContact CE1-CG 4.49Å
118	C	97.1	Very high	96.2	Very high	30 Å²	30	61.2 Å²	61.2	20%	0.203	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-38.5	172.9	-71.4	0	0	0	0	112.5	L114 S115 I121 H122	L114-C118 WeakPolarHBondContact O-CB 3.39Å; L114-C118 PolarHBondContact O-N 3.4Å; L114-C118 PolarHBondContact O-SG 3.37Å; S115-C118 PolarHBondContact O-N 2.96Å; C118-I121 PolarHBondContact O-N 3.18Å; C118-H122 PolarHBondContact O-N 2.73Å
119	K	97.4	Very high	95.6	Very high	146 Å²	146	65.5 Å²	65.5	64%	0.635	31%	0.31	S	S	*	.	H	α-helix	trans	-64.6	-40.2	174	-70.6	174.6	-178.6	-175.4	0	112.1	S115 Q116 F117 K123	S115-K119 WeakPolarHBondContact O-CG 3.45Å; S115-K119 PolarHBondContact O-N 2.94Å; Q116-K119 WeakPolarHBondContact O-CB 3.49Å; Q116-K119 PolarHBondContact O-N 3.18Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 2.63Å; K119-K123 WeakPolarHBondContact O-CB 3.41Å; K119-K123 PolarHBondContact O-N 2.73Å
120	W	97.9	Very high	95.1	Very high	26 Å²	26	63.8 Å²	63.8	10%	0.098	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-44.3	173.7	178.8	90.6	0	0	0	112	I38 A63 L65 S75 E76 F77 Q116 F117 K123 I124	I38-W120 HydrophobicContact CD1-CZ3 4.42Å; I38-W120 HydrophobicContact CG2-CH2 4.16Å; I38-W120 HydrophobicContact CG2-CZ3 4.06Å; A63-W120 HydrophobicContact CB-CH2 4.13Å; A63-W120 HydrophobicContact CB-CZ3 4.15Å; L65-W120 HydrophobicContact CB-CH2 4.32Å; L65-W120 HydrophobicContact CB-CZ2 4.41Å; S75-W120 PolarHBondContact OG-NE1 3.04Å; E76-W120 PolarHBondContact O-NE1 2.8Å; F77-W120 HydrophobicContact CB-CD2 3.74Å; F77-W120 HydrophobicContact CB-CE3 4.18Å; F77-W120 HydrophobicContact CB-CG 3.96Å; F77-W120 HydrophobicContact CB-CZ2 4.14Å; F77-W120 HydrophobicContact CD2-CB 3.83Å; F77-W120 AromaticContact CD2-CG 3.95Å; F77-W120 HydrophobicContact CD2-CG 3.95Å; F77-W120 HydrophobicContact CE2-CB 4.49Å; F77-W120 HydrophobicContact CG-CD2 4.46Å; F77-W120 HydrophobicContact CG-CG 4.36Å; Q116-W120 PolarHBondContact O-N 3.19Å; F117-W120 HydrophobicContact CD2-CE3 4.04Å; F117-W120 AromaticContact CE2-CE3 3.64Å; F117-W120 HydrophobicContact CE2-CE3 3.64Å; F117-W120 AromaticContact CE2-CZ3 3.7Å; F117-W120 HydrophobicContact CE2-CZ3 3.7Å; F117-W120 HydrophobicContact CZ-CE3 4.45Å; F117-W120 HydrophobicContact CZ-CZ3 4.3Å; F117-W120 WeakPolarHBondContact O-CB 3.45Å; F117-W120 PolarHBondContact O-N 3.29Å; F117-W120 VanDerWaalsContact O-N 3.15Å; W120-K123 WeakPolarHBondContact O-CB 3.24Å; W120-K123 PolarHBondContact O-N 3.3Å; W120-I124 HydrophobicContact CE3-CD1 4.15Å; W120-I124 HydrophobicContact CH2-CD1 3.91Å; W120-I124 HydrophobicContact CZ2-CD1 4.4Å; W120-I124 HydrophobicContact CZ2-CG2 4.43Å; W120-I124 HydrophobicContact CZ3-CD1 3.77Å; W120-I124 PolarHBondContact O-N 2.89Å
121	I	96.3	Very high	94.5	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-55.4	-53	173.5	-71.5	-65.8	0	0	0	110.8	I38 F117 C118 K123 I124 Q125 L132 F148 F174	I38-I121 HydrophobicContact CD1-CD1 3.74Å; F117-I121 HydrophobicContact CD1-CG1 4.25Å; F117-I121 HydrophobicContact CE1-CD1 4.18Å; F117-I121 HydrophobicContact CE1-CG1 3.93Å; F117-I121 HydrophobicContact CE2-CD1 4.31Å; F117-I121 HydrophobicContact CE2-CG1 4.34Å; F117-I121 HydrophobicContact CZ-CD1 3.84Å; F117-I121 HydrophobicContact CZ-CG1 3.98Å; F117-I121 WeakPolarHBondContact O-CG1 3.44Å; F117-I121 PolarHBondContact O-N 2.85Å; C118-I121 PolarHBondContact O-N 3.18Å; I121-K123 VanDerWaalsContact C-N 3.3Å; I121-K123 PolarHBondContact O-N 2.87Å; I121-I124 HydrophobicContact CD1-CD1 4.3Å; I121-I124 WeakPolarHBondContact O-CG1 3.42Å; I121-I124 PolarHBondContact O-N 2.71Å; I121-Q125 HydrophobicContact CG2-CG 4.42Å; I121-Q125 WeakPolarHBondContact O-CG 3.45Å; I121-Q125 PolarHBondContact O-N 3.21Å; I121-L132 HydrophobicContact CG2-CD1 3.69Å; I121-F148 HydrophobicContact CD1-CE1 4.06Å; I121-F148 HydrophobicContact CD1-CZ 3.94Å; I121-F174 HydrophobicContact CB-CZ 4.45Å; I121-F174 HydrophobicContact CG1-CE2 4.1Å; I121-F174 HydrophobicContact CG1-CZ 4.12Å; I121-F174 HydrophobicContact CG2-CE1 4.43Å; I121-F174 HydrophobicContact CG2-CZ 4.24Å
122	H	94.5	Very high	93.8	Very high	111 Å²	111	60.4 Å²	60.4	51%	0.514	29%	0.287	S	S	.	.	H	α-helix	trans	-59.2	-40.6	178.1	-66	162.6	0	0	0	112.2	C118 Q125 Q126	C118-H122 PolarHBondContact O-N 2.73Å; H122-Q125 PolarHBondContact O-N 2.92Å; H122-Q126 WeakPolarHBondContact O-CG 3.47Å; H122-Q126 PolarHBondContact O-N 3.32Å; H122-Q126 VanDerWaalsContact O-N 3.09Å
123	K	95.6	Very high	92.4	Very high	123 Å²	123	57.9 Å²	57.9	54%	0.535	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-50	176.2	-178.4	-179.1	175.8	-177.1	0	111.9	K119 W120 I121 Q125 Q126 Q127	K119-K123 WeakPolarHBondContact O-CB 3.41Å; K119-K123 PolarHBondContact O-N 2.73Å; W120-K123 WeakPolarHBondContact O-CB 3.24Å; W120-K123 PolarHBondContact O-N 3.3Å; I121-K123 VanDerWaalsContact C-N 3.3Å; I121-K123 PolarHBondContact O-N 2.87Å; K123-Q125 VanDerWaalsContact C-N 3.34Å; K123-Q125 PolarHBondContact O-N 2.92Å; K123-Q126 PolarHBondContact O-N 2.8Å; K123-Q127 HydrophobicContact CG-CG 4.46Å; K123-Q127 WeakPolarHBondContact O-CB 3.4Å; K123-Q127 VanDerWaalsContact O-CG 3.3Å; K123-Q127 WeakPolarHBondContact O-CG 3.31Å; K123-Q127 PolarHBondContact O-N 3.36Å
124	I	94.9	Very high	90.6	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-68.6	-32.6	179.7	63.4	169.3	0	0	0	112.2	I38 L65 W120 I121 Q127 K128	I38-I124 HydrophobicContact CD1-CD1 3.75Å; I38-I124 HydrophobicContact CG1-CD1 4.31Å; L65-I124 HydrophobicContact CD1-CD1 4.17Å; L65-I124 HydrophobicContact CD2-CB 4.21Å; L65-I124 HydrophobicContact CD2-CD1 4.15Å; L65-I124 HydrophobicContact CD2-CG2 4.17Å; W120-I124 HydrophobicContact CE3-CD1 4.15Å; W120-I124 HydrophobicContact CH2-CD1 3.91Å; W120-I124 HydrophobicContact CZ2-CD1 4.4Å; W120-I124 HydrophobicContact CZ2-CG2 4.43Å; W120-I124 HydrophobicContact CZ3-CD1 3.77Å; W120-I124 PolarHBondContact O-N 2.89Å; I121-I124 HydrophobicContact CD1-CD1 4.3Å; I121-I124 WeakPolarHBondContact O-CG1 3.42Å; I121-I124 PolarHBondContact O-N 2.71Å; I124-Q127 PolarHBondContact O-N 3Å; I124-K128 VanDerWaalsContact O-CB 3.29Å; I124-K128 WeakPolarHBondContact O-CB 3.22Å; I124-K128 WeakPolarHBondContact O-CG 3.2Å; I124-K128 PolarHBondContact O-N 2.9Å
125	Q	92.3	Very high	88.3	Confident	47 Å²	47	62.9 Å²	62.9	22%	0.22	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-47	175.9	-73.3	-171.6	-88.8	0	0	112.2	I121 H122 K123 K129 I130	I121-Q125 HydrophobicContact CG2-CG 4.42Å; I121-Q125 WeakPolarHBondContact O-CG 3.45Å; I121-Q125 PolarHBondContact O-N 3.21Å; H122-Q125 PolarHBondContact O-N 2.92Å; K123-Q125 VanDerWaalsContact C-N 3.34Å; K123-Q125 PolarHBondContact O-N 2.92Å; Q125-K129 WeakPolarHBondContact O-CA 3.36Å; Q125-K129 PolarHBondContact O-N 2.92Å; Q125-I130 HydrophobicContact CG-CB 4.38Å; Q125-I130 HydrophobicContact CG-CG2 4.47Å; Q125-I130 WeakPolarHBondContact CG-O 3.48Å; Q125-I130 PolarHBondContact NE2-O 2.83Å; Q125-I130 PolarHBondContact O-N 3.12Å; Q125-I130 VanDerWaalsContact O-N 3.13Å
126	Q	89.8	Confident	85.9	Confident	162 Å²	162	68.2 Å²	68.2	76%	0.757	34%	0.344	S	S	*	.	H	α-helix	trans	-66.6	-46.3	176.5	-61.7	-61.1	-14.2	0	0	111.6	H122 K123 K128	H122-Q126 WeakPolarHBondContact O-CG 3.47Å; H122-Q126 PolarHBondContact O-N 3.32Å; H122-Q126 VanDerWaalsContact O-N 3.09Å; K123-Q126 PolarHBondContact O-N 2.8Å; Q126-K128 VanDerWaalsContact C-N 3.29Å; Q126-K128 PolarHBondContact O-N 2.96Å
127	Q	92.1	Very high	83.8	Confident	127 Å²	127	70 Å²	70	59%	0.593	36%	0.355	S	S	*	.	H	α-helix	trans	-68.5	-21.8	-176.6	-72.3	-175.2	-36.6	0	0	114.6	K123 I124	K123-Q127 HydrophobicContact CG-CG 4.46Å; K123-Q127 WeakPolarHBondContact O-CB 3.4Å; K123-Q127 VanDerWaalsContact O-CG 3.3Å; K123-Q127 WeakPolarHBondContact O-CG 3.31Å; K123-Q127 PolarHBondContact O-N 3.36Å; I124-Q127 PolarHBondContact O-N 3Å
128	K	87.9	Confident	81.4	Confident	62 Å²	62	78.4 Å²	78.4	27%	0.27	39%	0.394	S	S	.	.	H	α-helix	trans	-123.9	2.7	-172.5	-55.3	-70.6	-178.5	166.3	0	114.2	Y36 E74 I124 Q126 I130	Y36-K128 HydrophobicContact CE2-CB 4.17Å; E74-K128 VanDerWaalsContact OE2-CE 3.31Å; E74-K128 WeakPolarHBondContact OE2-CE 3.48Å; E74-K128 IonicContact OE2-NZ 2.66Å; E74-K128 PolarHBondContact OE2-NZ 2.9Å; I124-K128 VanDerWaalsContact O-CB 3.29Å; I124-K128 WeakPolarHBondContact O-CB 3.22Å; I124-K128 WeakPolarHBondContact O-CG 3.2Å; I124-K128 PolarHBondContact O-N 2.9Å; Q126-K128 VanDerWaalsContact C-N 3.29Å; Q126-K128 PolarHBondContact O-N 2.96Å; K128-I130 HydrophobicContact CB-CD1 3.53Å; K128-I130 HydrophobicContact CB-CG1 3.7Å; K128-I130 HydrophobicContact CG-CD1 4.18Å
129	K	87.8	Confident	79.3	Confident	128 Å²	128	80.8 Å²	80.8	56%	0.557	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	51.3	-171.3	-68.6	-175.2	169.9	-177.7	0	112.8	Q125 E142 K144	Q125-K129 WeakPolarHBondContact O-CA 3.36Å; Q125-K129 PolarHBondContact O-N 2.92Å; K129-E142 IonicContact NZ-OE2 2.63Å; K129-E142 PolarHBondContact NZ-OE2 3.19Å; K129-K144 PolarHBondContact O-N 3.49Å; K129-K144 VanDerWaalsContact O-N 3.07Å
130	I	87.6	Confident	77.2	Confident	7 Å²	7	77.5 Å²	77.5	4%	0.036	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.5	-175.1	-67.9	170	0	0	0	112.8	Y36 L65 Q125 K128 K144 C146	Y36-I130 HydrophobicContact CD2-CD1 3.35Å; Y36-I130 HydrophobicContact CD2-CG1 3.62Å; Y36-I130 HydrophobicContact CE2-CD1 3.81Å; Y36-I130 HydrophobicContact CE2-CG1 4.04Å; Y36-I130 HydrophobicContact CG-CD1 3.78Å; Y36-I130 HydrophobicContact CG-CG1 4.46Å; L65-I130 HydrophobicContact CD1-CD1 4.42Å; Q125-I130 HydrophobicContact CG-CB 4.38Å; Q125-I130 HydrophobicContact CG-CG2 4.47Å; Q125-I130 WeakPolarHBondContact CG-O 3.48Å; Q125-I130 PolarHBondContact NE2-O 2.83Å; Q125-I130 PolarHBondContact O-N 3.12Å; Q125-I130 VanDerWaalsContact O-N 3.13Å; K128-I130 HydrophobicContact CB-CD1 3.53Å; K128-I130 HydrophobicContact CB-CG1 3.7Å; K128-I130 HydrophobicContact CG-CD1 4.18Å; I130-K144 WeakPolarHBondContact CA-O 3.33Å; I130-K144 HydrophobicContact CG1-CB 4.36Å; I130-C146 HydrophobicContact CG2-CB 3.3Å
131	I	86	Confident	75.3	Confident	60 Å²	60	83.8 Å²	83.8	31%	0.308	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.9	157.6	-75.6	-174.6	0	0	0	110	L137 V143 K144 L145 C146	I131-L137 HydrophobicContact CD1-CD2 3.74Å; I131-L137 HydrophobicContact CG2-CD2 4.07Å; I131-V143 HydrophobicContact CB-CG1 3.79Å; I131-V143 HydrophobicContact CD1-CG1 3.76Å; I131-V143 HydrophobicContact CG1-CG1 3.57Å; I131-K144 PolarHBondContact N-O 2.76Å; I131-L145 HydrophobicContact CB-CD2 4.49Å; I131-L145 HydrophobicContact CG2-CD2 4.41Å; I131-C146 PolarHBondContact O-N 3.07Å
132	L	83.2	Confident	73.8	Confident	14 Å²	14	90.4 Å²	90.4	7%	0.073	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.5	169.5	-64.9	174.2	0	0	0	109.5	I38 I121 T134 C146 F148 F174	I38-L132 HydrophobicContact CD1-CD2 3.84Å; I121-L132 HydrophobicContact CG2-CD1 3.69Å; L132-T134 PolarHBondContact O-N 3.14Å; L132-C146 HydrophobicContact CD2-CB 4.12Å; L132-F148 HydrophobicContact CD1-CE2 4Å; L132-F148 HydrophobicContact CD1-CZ 3.94Å; L132-F148 HydrophobicContact CD2-CE2 3.92Å; L132-F148 HydrophobicContact CD2-CZ 3.9Å; L132-F148 HydrophobicContact CG-CE2 4.43Å; L132-F174 HydrophobicContact CD1-CB 3.85Å; L132-F174 HydrophobicContact CD1-CD1 4.27Å; L132-F174 HydrophobicContact CD1-CD2 4.04Å; L132-F174 HydrophobicContact CD1-CG 3.81Å
133	A	68.9	Low	73	Confident	26 Å²	26	87.1 Å²	87.1	22%	0.215	47%	0.465	C	S	.	.			trans	-72.3	66.9	-175.9	0	0	0	0	0	113.2	Y34 C146	Y34-A133 HydrophobicContact CD1-CB 4.28Å; Y34-A133 HydrophobicContact CE1-CB 3.64Å; A133-C146 WeakPolarHBondContact CB-O 3.42Å; A133-C146 PolarHBondContact N-O 2.84Å
134	T	59.9	Low	72.5	Confident	63 Å²	63	85.1 Å²	85.1	39%	0.387	46%	0.456	S	S	.	.			trans	-67.4	135.8	154.1	-48.5	0	0	0	0	106.9	L132	L132-T134 PolarHBondContact O-N 3.14Å
135	G	50.9	Low	72.4	Confident	53 Å²	53	86.5 Å²	86.5	55%	0.546	46%	0.463	S	S	.	.	S	Bend	trans	-58.2	147.7	-171.3	0	0	0	0	0	113.1
136	D	47.8	Very low	72.5	Confident	168 Å²	168	84.3 Å²	84.3	90%	0.898	45%	0.453	S	S	*	.	S	Bend	trans	76.7	48.4	171.8	-45.3	-25	0	0	0	115.9
137	L	52.9	Low	72.8	Confident	114 Å²	114	76.7 Å²	76.7	60%	0.597	42%	0.418	S	S	*	.			trans	-119.6	128.7	162.1	-121.6	78.3	0	0	0	111.4	I131	I131-L137 HydrophobicContact CD1-CD2 3.74Å; I131-L137 HydrophobicContact CG2-CD2 4.07Å
138	E	48.8	Very low	73.1	Confident	177 Å²	177	70.8 Å²	70.8	83%	0.827	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-79.7	132.2	167.3	-72.3	-63.2	149.5	0	0	110	S140	E138-S140 PolarHBondContact O-N 2.9Å
139	P	52.1	Low	73.6	Confident	79 Å²	79	67.9 Å²	67.9	51%	0.513	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-79.2	122.1	-175.3	29.9	-33.2	0	0	0	112.5	L145	P139-L145 HydrophobicContact CB-CD1 4.27Å
140	S	54.2	Low	74.1	Confident	78 Å²	78	61.8 Å²	61.8	55%	0.545	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-76.5	154	164.8	61.1	0	0	0	0	111.4	E138 E142 V143	E138-S140 PolarHBondContact O-N 2.9Å; S140-E142 PolarHBondContact O-N 3.29Å; S140-V143 PolarHBondContact O-N 3.35Å; S140-V143 VanDerWaalsContact O-N 3.08Å; S140-V143 WeakPolarHBondContact OG-CG2 3.37Å
141	T	58.4	Low	74.6	Confident	157 Å²	157	61.4 Å²	61.4	96%	0.963	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.5	-157.3	-12.8	0	0	0	0	116.6
142	E	64.8	Low	75	Confident	140 Å²	140	58.9 Å²	58.9	65%	0.654	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-13.9	177.4	-77	-161.9	-164.2	0	0	114.8	K129 S140	K129-E142 IonicContact NZ-OE2 2.63Å; K129-E142 PolarHBondContact NZ-OE2 3.19Å; S140-E142 PolarHBondContact O-N 3.29Å
143	V	77.9	Confident	75.5	Confident	41 Å²	41	60.8 Å²	60.8	25%	0.248	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-90.4	127.1	-164.5	-178.5	0	0	0	0	111.4	I131 S140	I131-V143 HydrophobicContact CB-CG1 3.79Å; I131-V143 HydrophobicContact CD1-CG1 3.76Å; I131-V143 HydrophobicContact CG1-CG1 3.57Å; S140-V143 PolarHBondContact O-N 3.35Å; S140-V143 VanDerWaalsContact O-N 3.08Å; S140-V143 WeakPolarHBondContact OG-CG2 3.37Å
144	K	85.4	Confident	76.8	Confident	82 Å²	82	61.3 Å²	61.3	36%	0.357	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	132.5	176.8	-68	-174.1	-178.5	179	0	110.8	D35 Y36 K129 I130 I131	D35-K144 HydrophobicContact CB-CB 4.05Å; D35-K144 HydrophobicContact CB-CD 4.23Å; D35-K144 HydrophobicContact CB-CG 4.16Å; D35-K144 VanDerWaalsContact OD2-CA 3.31Å; D35-K144 WeakPolarHBondContact OD2-CA 3.32Å; Y36-K144 HydrophobicContact CD2-CB 4.34Å; Y36-K144 HydrophobicContact CD2-CD 4.16Å; Y36-K144 HydrophobicContact CE2-CB 4.48Å; Y36-K144 HydrophobicContact CE2-CD 3.53Å; K129-K144 PolarHBondContact O-N 3.49Å; K129-K144 VanDerWaalsContact O-N 3.07Å; I130-K144 WeakPolarHBondContact CA-O 3.33Å; I130-K144 HydrophobicContact CG1-CB 4.36Å; I131-K144 PolarHBondContact N-O 2.76Å
145	L	92	Very high	78.6	Confident	32 Å²	32	58.3 Å²	58.3	17%	0.168	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	140.5	180	-66.9	-179.4	0	0	0	111.3	V33 Y34 D35 Y36 I131 P139	V33-L145 WeakPolarHBondContact O-CB 3.13Å; V33-L145 WeakPolarHBondContact O-CD1 3.29Å; Y34-L145 CarbonylContact C-O 3.43Å; Y34-L145 VanDerWaalsContact CA-O 3.29Å; Y34-L145 WeakPolarHBondContact CA-O 3.38Å; Y34-L145 HydrophobicContact CD1-CB 3.98Å; D35-L145 PolarHBondContact N-O 3.41Å; D35-L145 PolarHBondContact OD2-N 2.72Å; Y36-L145 PolarHBondContact N-O 3.27Å; I131-L145 HydrophobicContact CB-CD2 4.49Å; I131-L145 HydrophobicContact CG2-CD2 4.41Å; P139-L145 HydrophobicContact CB-CD1 4.27Å
146	C	94.5	Very high	80.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.8	177.5	-174.7	0	0	0	0	113.1	Y36 I130 I131 L132 A133	Y36-C146 VanDerWaalsContact O-CA 3.27Å; Y36-C146 WeakPolarHBondContact O-CA 3.48Å; Y36-C146 PolarHBondContact O-SG 3.04Å; Y36-C146 VanDerWaalsContact O-SG 3.36Å; I130-C146 HydrophobicContact CG2-CB 3.3Å; I131-C146 PolarHBondContact O-N 3.07Å; L132-C146 HydrophobicContact CD2-CB 4.12Å; A133-C146 WeakPolarHBondContact CB-O 3.42Å; A133-C146 PolarHBondContact N-O 2.84Å
147	A	96.7	Very high	83	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.017	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.5	176.4	0	0	0	0	0	112	Y34 Y36 L37 I38 I179 I237	Y34-A147 HydrophobicContact CD1-CB 3.83Å; Y34-A147 HydrophobicContact CD2-CB 3.89Å; Y34-A147 HydrophobicContact CE1-CB 3.96Å; Y34-A147 HydrophobicContact CE2-CB 4Å; Y34-A147 HydrophobicContact CG-CB 3.82Å; Y36-A147 PolarHBondContact O-N 2.83Å; L37-A147 WeakPolarHBondContact CA-O 3.31Å; L37-A147 HydrophobicContact CD2-CB 4.07Å; I38-A147 PolarHBondContact N-O 3.15Å; A147-I179 HydrophobicContact CB-CD1 4.13Å; A147-I179 HydrophobicContact CB-CG1 4.37Å; A147-I237 HydrophobicContact CB-CD1 3.79Å
148	F	98	Very high	85	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	144.4	169.1	-66.2	-77.3	0	0	0	111.2	I38 I40 F117 I121 L132 L156 F174 L175 W178 I179	I38-F148 HydrophobicContact CB-CD1 3.75Å; I38-F148 HydrophobicContact CB-CE1 3.87Å; I38-F148 HydrophobicContact CD1-CD1 4.46Å; I38-F148 HydrophobicContact CD1-CE1 3.81Å; I38-F148 HydrophobicContact CD1-CZ 4.15Å; I38-F148 HydrophobicContact CG1-CE1 4.47Å; I38-F148 HydrophobicContact CG2-CD1 3.76Å; I38-F148 HydrophobicContact CG2-CE1 3.71Å; I38-F148 CarbonylContact O-C 3.59Å; I38-F148 WeakPolarHBondContact O-CA 3.46Å; I40-F148 HydrophobicContact CD1-CD1 3.77Å; I40-F148 HydrophobicContact CD1-CE1 4.21Å; F117-F148 HydrophobicContact CE1-CE1 4.43Å; F117-F148 HydrophobicContact CZ-CE1 4.1Å; I121-F148 HydrophobicContact CD1-CE1 4.06Å; I121-F148 HydrophobicContact CD1-CZ 3.94Å; L132-F148 HydrophobicContact CD1-CE2 4Å; L132-F148 HydrophobicContact CD1-CZ 3.94Å; L132-F148 HydrophobicContact CD2-CE2 3.92Å; L132-F148 HydrophobicContact CD2-CZ 3.9Å; L132-F148 HydrophobicContact CG-CE2 4.43Å; F148-L156 HydrophobicContact CB-CD1 4.25Å; F148-F174 WeakPolarHBondContact CD2-O 3.45Å; F148-F174 HydrophobicContact CE2-CB 4.14Å; F148-F174 AromaticContact CE2-CD2 3.61Å; F148-F174 HydrophobicContact CE2-CD2 3.61Å; F148-F174 HydrophobicContact CE2-CE2 4.49Å; F148-F174 HydrophobicContact CE2-CG 4.31Å; F148-F174 WeakPolarHBondContact CE2-O 3.27Å; F148-F174 AromaticContact CZ-CD2 3.52Å; F148-F174 HydrophobicContact CZ-CD2 3.52Å; F148-F174 AromaticContact CZ-CE2 3.98Å; F148-F174 HydrophobicContact CZ-CE2 3.98Å; F148-F174 HydrophobicContact CZ-CG 4.49Å; F148-L175 HydrophobicContact CD1-CD2 3.79Å; F148-L175 HydrophobicContact CD2-CD2 4.11Å; F148-L175 HydrophobicContact CE1-CD2 3.7Å; F148-L175 HydrophobicContact CE2-CD2 4.04Å; F148-L175 HydrophobicContact CG-CD2 4Å; F148-L175 HydrophobicContact CZ-CD2 3.84Å; F148-W178 HydrophobicContact CB-CB 3.96Å; F148-W178 CarbonylContact O-C 3.53Å; F148-W178 VanDerWaalsContact O-CA 3.28Å; F148-W178 WeakPolarHBondContact O-CA 3.21Å; F148-W178 WeakPolarHBondContact O-CB 3.15Å; F148-I179 PolarHBondContact O-N 3.37Å
149	V	98.5	Very high	87.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.4	179.3	-173.5	0	0	0	0	108.6	L37 I38 V39 I40 I179 L181	L37-V149 HydrophobicContact CB-CG2 3.86Å; L37-V149 HydrophobicContact CD1-CG2 4.23Å; L37-V149 HydrophobicContact CD2-CG2 3.81Å; L37-V149 HydrophobicContact CG-CG2 4.17Å; I38-V149 PolarHBondContact O-N 3.04Å; V39-V149 CarbonylContact C-O 3.54Å; V39-V149 WeakPolarHBondContact CA-O 3.37Å; V39-V149 HydrophobicContact CG1-CB 4.46Å; V39-V149 HydrophobicContact CG2-CB 4.15Å; I40-V149 PolarHBondContact N-O 2.81Å; V149-I179 WeakPolarHBondContact CA-O 3.28Å; V149-I179 HydrophobicContact CG1-CB 4.37Å; V149-I179 HydrophobicContact CG2-CB 4.17Å; V149-I179 HydrophobicContact CG2-CD1 4.27Å; V149-I179 HydrophobicContact CG2-CG1 4.38Å; V149-L181 HydrophobicContact CG1-CB 3.91Å; V149-L181 HydrophobicContact CG1-CD1 4.39Å
150	T	98.3	Very high	89.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	160.2	171.2	63	0	0	0	0	109.5	I40 S152 D155 L156 W178 I179 L181	I40-T150 HydrophobicContact CB-CG2 4.46Å; I40-T150 WeakPolarHBondContact O-CA 3.44Å; T150-S152 WeakPolarHBondContact CB-O 3.48Å; T150-S152 PolarHBondContact O-N 3.03Å; T150-S152 PolarHBondContact OG1-N 2.85Å; T150-S152 PolarHBondContact OG1-O 3.13Å; T150-D155 HydrophobicContact CG2-CB 4.07Å; T150-L156 HydrophobicContact CG2-CD1 3.81Å; T150-L156 HydrophobicContact CG2-CG 3.83Å; T150-W178 VanDerWaalsContact OG1-CD1 3.28Å; T150-I179 PolarHBondContact N-O 3.03Å; T150-L181 WeakPolarHBondContact O-CB 3.46Å; T150-L181 PolarHBondContact O-N 3.4Å
151	W	97.5	Very high	91.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-64.8	-29	169.4	178.6	-120.2	0	0	0	111.8	D41 R182 P193 G195 L196 A199 L224 P683 S684	D41-W151 WeakPolarHBondContact OD2-CB 3.33Å; W151-R182 HydrophobicContact CD2-CB 3.96Å; W151-R182 HydrophobicContact CD2-CG 4.46Å; W151-R182 HydrophobicContact CE3-CB 3.9Å; W151-R182 HydrophobicContact CH2-CB 3.74Å; W151-R182 HydrophobicContact CH2-CG 3.57Å; W151-R182 HydrophobicContact CZ2-CB 3.79Å; W151-R182 HydrophobicContact CZ2-CG 3.4Å; W151-R182 VanDerWaalsContact CZ2-CG 3.4Å; W151-R182 HydrophobicContact CZ3-CB 3.8Å; W151-R182 HydrophobicContact CZ3-CG 4.16Å; W151-R182 WeakPolarHBondContact O-CB 3.25Å; W151-R182 PolarHBondContact O-N 3.2Å; W151-P193 HydrophobicContact CH2-CB 4.41Å; W151-P193 HydrophobicContact CH2-CG 3.83Å; W151-P193 HydrophobicContact CZ2-CG 4.18Å; W151-G195 VanDerWaalsContact CZ2-C 3.45Å; W151-G195 WeakPolarHBondContact CZ2-O 3.46Å; W151-L196 HydrophobicContact CD2-CB 4.18Å; W151-L196 HydrophobicContact CD2-CD1 4.15Å; W151-L196 HydrophobicContact CE3-CD1 3.75Å; W151-L196 HydrophobicContact CZ3-CD1 3.98Å; W151-A199 HydrophobicContact CH2-CB 3.73Å; W151-A199 HydrophobicContact CZ3-CB 4.29Å; W151-L224 HydrophobicContact CE3-CD2 4.46Å; W151-L224 HydrophobicContact CH2-CD2 4.46Å; W151-L224 HydrophobicContact CZ3-CD2 3.72Å; W151-P683 PolarHBondContact NE1-O 2.86Å; W151-S684 VanDerWaalsContact CD1-CA 3.49Å
152	S	95.3	Very high	93.2	Very high	7 Å²	7	30.7 Å²	30.7	5%	0.049	15%	0.151	C	C	.	.	S	Bend	trans	-157.2	173.4	177	73.7	0	0	0	0	114.5	T150 W154 P683	T150-S152 WeakPolarHBondContact CB-O 3.48Å; T150-S152 PolarHBondContact O-N 3.03Å; T150-S152 PolarHBondContact OG1-N 2.85Å; T150-S152 PolarHBondContact OG1-O 3.13Å; S152-W154 PolarHBondContact O-N 2.81Å; S152-W154 WeakPolarHBondContact OG-CB 3.38Å; S152-W154 PolarHBondContact OG-N 3.48Å; S152-P683 WeakPolarHBondContact OG-CG 3.46Å
153	D	93.4	Very high	94.7	Very high	53 Å²	53	24 Å²	24	28%	0.283	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-16.2	172.3	-58.9	-19	0	0	0	115.1	G157 V158 R239	D153-G157 CarbonylContact O-C 3.6Å; D153-G157 WeakPolarHBondContact O-CA 3.3Å; D153-G157 PolarHBondContact O-N 2.88Å; D153-V158 PolarHBondContact O-N 3.22Å; D153-R239 VanDerWaalsContact CG-CZ 3.5Å; D153-R239 VanDerWaalsContact CG-NE 3.34Å; D153-R239 VanDerWaalsContact CG-NH2 3.27Å; D153-R239 WeakPolarHBondContact OD1-CD 3.49Å; D153-R239 WeakPolarHBondContact OD1-CG 3.39Å; D153-R239 IonicContact OD1-CZ 2.72Å; D153-R239 IonicContact OD1-NE 2.68Å; D153-R239 PolarHBondContact OD1-NE 3.32Å; D153-R239 IonicContact OD1-NH2 2.66Å; D153-R239 PolarHBondContact OD1-NH2 3.39Å; D153-R239 VanDerWaalsContact OD1-NH2 3.11Å; D153-R239 IonicContact OD2-CZ 3.13Å; D153-R239 IonicContact OD2-NE 3.64Å; D153-R239 PolarHBondContact OD2-NE 2.88Å; D153-R239 IonicContact OD2-NH1 3.1Å; D153-R239 IonicContact OD2-NH2 2.7Å; D153-R239 PolarHBondContact OD2-NH2 3.26Å
154	W	95.4	Very high	95.7	Very high	37 Å²	37	22.2 Å²	22.2	14%	0.14	11%	0.109	C	C	.	.	H	α-helix	trans	-67.7	-40	-169.3	-179.2	92	0	0	0	112.3	F42 S44 P56 S152 V158 C159 R682 P683	F42-W154 HydrophobicContact CB-CZ3 4.27Å; F42-W154 WeakPolarHBondContact O-CZ3 3.45Å; S44-W154 VanDerWaalsContact OG-CH2 3.3Å; S44-W154 WeakPolarHBondContact OG-CH2 3.45Å; S44-W154 WeakPolarHBondContact OG-CZ2 3.34Å; P56-W154 HydrophobicContact CG-CZ2 4.47Å; S152-W154 PolarHBondContact O-N 2.81Å; S152-W154 WeakPolarHBondContact OG-CB 3.38Å; S152-W154 PolarHBondContact OG-N 3.48Å; W154-V158 CarbonylContact O-C 3.51Å; W154-V158 WeakPolarHBondContact O-CA 3.38Å; W154-V158 VanDerWaalsContact O-CB 3.28Å; W154-V158 WeakPolarHBondContact O-CB 3.3Å; W154-V158 PolarHBondContact O-N 3.07Å; W154-C159 HydrophobicContact CD2-CB 4.25Å; W154-C159 HydrophobicContact CE3-CB 4.09Å; W154-C159 HydrophobicContact CH2-CB 3.58Å; W154-C159 VanDerWaalsContact CH2-SG 3.54Å; W154-C159 HydrophobicContact CZ2-CB 3.8Å; W154-C159 HydrophobicContact CZ3-CB 3.73Å; W154-C159 PolarHBondContact O-N 3.14Å; W154-R682 HydrophobicContact CD2-CB 3.61Å; W154-R682 HydrophobicContact CD2-CG 4.38Å; W154-R682 HydrophobicContact CE3-CB 4.08Å; W154-R682 HydrophobicContact CE3-CG 4.37Å; W154-R682 HydrophobicContact CG-CB 3.94Å; W154-R682 HydrophobicContact CH2-CB 4.47Å; W154-R682 HydrophobicContact CZ2-CB 4.02Å; W154-P683 HydrophobicContact CB-CG 4.09Å
155	D	97.3	Very high	96.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.123	C	C	.	.	I	π-helix	trans	-68.1	-65.8	-169.7	-51	-89.7	0	0	0	111.6	F42 T150 L160 R682	F42-D155 HydrophobicContact CD2-CB 3.79Å; F42-D155 HydrophobicContact CE2-CB 4.22Å; F42-D155 HydrophobicContact CG-CB 4.45Å; F42-D155 PolarHBondContact N-OD1 3.01Å; T150-D155 HydrophobicContact CG2-CB 4.07Å; D155-L160 PolarHBondContact O-N 3.48Å; D155-R682 IonicContact OD1-NH1 3.77Å; D155-R682 PolarHBondContact OD1-NH1 3.38Å; D155-R682 VanDerWaalsContact OD1-NH1 3.1Å
156	L	96.8	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.127	C	C	.	.	I	π-helix	trans	-81.4	-28.4	179.8	-62	178.3	0	0	0	113.4	I40 F42 F148 T150 L160 K171 L175 W178	I40-L156 HydrophobicContact CD1-CD2 4.5Å; F42-L156 HydrophobicContact CE2-CD2 3.91Å; F42-L156 HydrophobicContact CZ-CD2 3.95Å; F148-L156 HydrophobicContact CB-CD1 4.25Å; T150-L156 HydrophobicContact CG2-CD1 3.81Å; T150-L156 HydrophobicContact CG2-CG 3.83Å; L156-L160 HydrophobicContact CD2-CD2 3.87Å; L156-K171 PolarHBondContact O-NZ 3.15Å; L156-L175 HydrophobicContact CD1-CD2 4.28Å; L156-L175 HydrophobicContact CD2-CB 4.23Å; L156-L175 HydrophobicContact CD2-CD1 4.24Å; L156-L175 HydrophobicContact CD2-CD2 3.94Å; L156-L175 HydrophobicContact CD2-CG 4.37Å; L156-W178 HydrophobicContact CB-CD2 4.02Å; L156-W178 HydrophobicContact CB-CE3 3.93Å; L156-W178 HydrophobicContact CB-CH2 4.35Å; L156-W178 HydrophobicContact CB-CZ2 4.4Å; L156-W178 HydrophobicContact CB-CZ3 4.11Å; L156-W178 HydrophobicContact CD1-CB 3.87Å; L156-W178 HydrophobicContact CD1-CD2 4.07Å; L156-W178 HydrophobicContact CD1-CE3 4.18Å; L156-W178 HydrophobicContact CD1-CG 3.95Å
157	G	94.6	Very high	96.4	Very high	17 Å²	17	29.8 Å²	29.8	18%	0.175	13%	0.134	C	C	.	.	I	π-helix	trans	-98.6	-9.5	-172.8	0	0	0	0	0	115.9	D153 W178	D153-G157 CarbonylContact O-C 3.6Å; D153-G157 WeakPolarHBondContact O-CA 3.3Å; D153-G157 PolarHBondContact O-N 2.88Å; G157-W178 VanDerWaalsContact CA-CH2 3.49Å
158	V	94.6	Very high	96.4	Very high	53 Å²	53	38.2 Å²	38.2	32%	0.321	17%	0.173	S	C	.	.	I	π-helix	trans	-131.2	-57	178.2	-178.9	0	0	0	0	111.7	D153 W154 Y162	D153-V158 PolarHBondContact O-N 3.22Å; W154-V158 CarbonylContact O-C 3.51Å; W154-V158 WeakPolarHBondContact O-CA 3.38Å; W154-V158 VanDerWaalsContact O-CB 3.28Å; W154-V158 WeakPolarHBondContact O-CB 3.3Å; W154-V158 PolarHBondContact O-N 3.07Å; V158-Y162 HydrophobicContact CG1-CD2 3.82Å; V158-Y162 HydrophobicContact CG1-CE2 3.91Å; V158-Y162 VanDerWaalsContact O-CB 3.26Å; V158-Y162 WeakPolarHBondContact O-CB 3.38Å; V158-Y162 WeakPolarHBondContact O-CD2 3.4Å; V158-Y162 PolarHBondContact O-N 2.89Å
159	C	95.6	Very high	96.3	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.02	18%	0.182	C	C	.	.	I	π-helix	trans	-68.7	-67.2	-173.1	-173	0	0	0	0	111.1	I58 W154 E161 Y162 E163	I58-C159 VanDerWaalsContact CG1-SG 3.53Å; W154-C159 HydrophobicContact CD2-CB 4.25Å; W154-C159 HydrophobicContact CE3-CB 4.09Å; W154-C159 HydrophobicContact CH2-CB 3.58Å; W154-C159 VanDerWaalsContact CH2-SG 3.54Å; W154-C159 HydrophobicContact CZ2-CB 3.8Å; W154-C159 HydrophobicContact CZ3-CB 3.73Å; W154-C159 PolarHBondContact O-N 3.14Å; C159-E161 VanDerWaalsContact C-N 3.29Å; C159-E161 PolarHBondContact O-N 2.77Å; C159-Y162 PolarHBondContact O-N 3.03Å; C159-E163 WeakPolarHBondContact O-CB 3.34Å; C159-E163 PolarHBondContact O-N 3.47Å
160	L	97.5	Very high	96.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-39.8	179.6	-179	65.4	0	0	0	112.2	F42 I58 L110 L114 D155 L156 C164 K171 L175	F42-L160 HydrophobicContact CE2-CB 3.84Å; F42-L160 HydrophobicContact CE2-CD2 4.23Å; F42-L160 HydrophobicContact CZ-CD2 4.29Å; I58-L160 HydrophobicContact CD1-CB 4.07Å; I58-L160 HydrophobicContact CD1-CD1 3.82Å; L110-L160 HydrophobicContact CD1-CD1 4.42Å; L110-L160 HydrophobicContact CD2-CD1 4.32Å; L114-L160 HydrophobicContact CD1-CD1 4.4Å; L114-L160 HydrophobicContact CD2-CD1 4.14Å; D155-L160 PolarHBondContact O-N 3.48Å; L156-L160 HydrophobicContact CD2-CD2 3.87Å; L160-C164 VanDerWaalsContact CD1-SG 3.57Å; L160-C164 VanDerWaalsContact O-CB 3.25Å; L160-C164 WeakPolarHBondContact O-CB 3.38Å; L160-C164 PolarHBondContact O-N 3.43Å; L160-C164 PolarHBondContact O-SG 2.91Å; L160-C164 VanDerWaalsContact O-SG 3.37Å; L160-K171 HydrophobicContact CD2-CD 4.3Å; L160-K171 HydrophobicContact CD2-CG 4.24Å; L160-K171 HydrophobicContact CG-CD 4.28Å; L160-K171 HydrophobicContact CG-CG 4.42Å; L160-L175 HydrophobicContact CD2-CD1 3.65Å
161	E	96.4	Very high	96	Very high	59 Å²	59	49.2 Å²	49.2	28%	0.276	23%	0.23	S	C	.	.	H	α-helix	trans	-59.5	-50.8	178.3	-175.4	62.2	-151	0	0	112.3	C159 R165 K171 L241	C159-E161 VanDerWaalsContact C-N 3.29Å; C159-E161 PolarHBondContact O-N 2.77Å; E161-R165 VanDerWaalsContact O-CB 3.3Å; E161-R165 WeakPolarHBondContact O-CB 3.28Å; E161-R165 PolarHBondContact O-N 3.36Å; E161-K171 VanDerWaalsContact OE2-CD 3.31Å; E161-K171 WeakPolarHBondContact OE2-CD 3.29Å; E161-K171 IonicContact OE2-NZ 2.63Å; E161-K171 PolarHBondContact OE2-NZ 3.08Å; E161-L241 WeakPolarHBondContact OE2-CD1 3.41Å
162	Y	96.2	Very high	95.8	Very high	114 Å²	114	50 Å²	50	45%	0.447	24%	0.235	S	C	.	.	H	α-helix	trans	-82	-22.4	-177.8	-64.2	-35.9	0	0	0	113.8	V158 C159 R166	V158-Y162 HydrophobicContact CG1-CD2 3.82Å; V158-Y162 HydrophobicContact CG1-CE2 3.91Å; V158-Y162 VanDerWaalsContact O-CB 3.26Å; V158-Y162 WeakPolarHBondContact O-CB 3.38Å; V158-Y162 WeakPolarHBondContact O-CD2 3.4Å; V158-Y162 PolarHBondContact O-N 2.89Å; C159-Y162 PolarHBondContact O-N 3.03Å; Y162-R166 VanDerWaalsContact O-CG 3.31Å; Y162-R166 WeakPolarHBondContact O-CG 3.43Å; Y162-R166 PolarHBondContact O-N 2.84Å; Y162-R166 PolarHBondContact O-NE 3.32Å
163	E	97.4	Very high	95.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-72.8	-52.2	170.4	-170.7	175.4	170.8	0	0	112	E57 I58 L110 C159 R165 R166 K167	E57-E163 VanDerWaalsContact CA-OE2 3.29Å; E57-E163 WeakPolarHBondContact CA-OE2 3.37Å; I58-E163 WeakPolarHBondContact CG1-OE2 3.35Å; I58-E163 PolarHBondContact N-OE2 2.8Å; L110-E163 HydrophobicContact CD2-CB 4.34Å; L110-E163 VanDerWaalsContact CD2-CD 3.41Å; L110-E163 HydrophobicContact CD2-CG 3.78Å; L110-E163 WeakPolarHBondContact CD2-OE1 3.17Å; C159-E163 WeakPolarHBondContact O-CB 3.34Å; C159-E163 PolarHBondContact O-N 3.47Å; E163-R165 PolarHBondContact O-N 3.42Å; E163-R166 PolarHBondContact O-N 2.8Å; E163-K167 HydrophobicContact CG-CD 3.91Å; E163-K167 HydrophobicContact CG-CG 4.34Å; E163-K167 PolarHBondContact O-N 3.17Å; E163-K167 VanDerWaalsContact OE1-CE 3.28Å; E163-K167 WeakPolarHBondContact OE1-CE 3.27Å; E163-K167 IonicContact OE1-NZ 3.53Å; E163-K167 PolarHBondContact OE1-NZ 2.95Å
164	C	97.6	Very high	95.6	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.02	26%	0.255	C	S	.	.	H	α-helix	trans	-53.9	-43.4	175.7	-75.3	0	0	0	0	111.3	L160 R166 K167 Q168 L169 K171	L160-C164 VanDerWaalsContact CD1-SG 3.57Å; L160-C164 VanDerWaalsContact O-CB 3.25Å; L160-C164 WeakPolarHBondContact O-CB 3.38Å; L160-C164 PolarHBondContact O-N 3.43Å; L160-C164 PolarHBondContact O-SG 2.91Å; L160-C164 VanDerWaalsContact O-SG 3.37Å; C164-R166 PolarHBondContact O-N 3.33Å; C164-K167 CarbonylContact O-C 3.53Å; C164-K167 PolarHBondContact O-N 3.18Å; C164-Q168 CarbonylContact O-C 3.45Å; C164-Q168 WeakPolarHBondContact O-CA 3.5Å; C164-Q168 PolarHBondContact O-N 3.25Å; C164-L169 HydrophobicContact CB-CB 4.17Å; C164-L169 PolarHBondContact O-N 3.15Å; C164-K171 HydrophobicContact CB-CB 4.22Å
165	R	96.1	Very high	95.7	Very high	171 Å²	171	51.8 Å²	51.8	65%	0.645	25%	0.249	S	C	*	.	H	α-helix	trans	-65.5	-31.3	177	-168.6	-172.8	66.2	175.6	-4.2	114.2	E161 E163	E161-R165 VanDerWaalsContact O-CB 3.3Å; E161-R165 WeakPolarHBondContact O-CB 3.28Å; E161-R165 PolarHBondContact O-N 3.36Å; E163-R165 PolarHBondContact O-N 3.42Å
166	R	95.6	Very high	95.6	Very high	65 Å²	65	53 Å²	53	25%	0.245	26%	0.255	C	S	.	.	H	α-helix	trans	-74	-49.3	174.1	-80.6	178.8	-64.9	148.6	-2.6	111.2	S55 P56 E85 Y162 E163 C164 Q168	S55-R166 VanDerWaalsContact CB-CZ 3.46Å; S55-R166 PolarHBondContact O-NH1 2.84Å; P56-R166 PolarHBondContact O-NH2 3.47Å; E85-R166 IonicContact OE1-CZ 2.84Å; E85-R166 IonicContact OE1-NE 2.62Å; E85-R166 IonicContact OE1-NH1 2.66Å; E85-R166 PolarHBondContact OE1-NH1 3.41Å; E85-R166 IonicContact OE2-CZ 2.64Å; E85-R166 IonicContact OE2-NH1 2.62Å; E85-R166 PolarHBondContact OE2-NH1 2.93Å; Y162-R166 VanDerWaalsContact O-CG 3.31Å; Y162-R166 WeakPolarHBondContact O-CG 3.43Å; Y162-R166 PolarHBondContact O-N 2.84Å; Y162-R166 PolarHBondContact O-NE 3.32Å; E163-R166 PolarHBondContact O-N 2.8Å; C164-R166 PolarHBondContact O-N 3.33Å; R166-Q168 PolarHBondContact O-N 2.82Å
167	K	95.9	Very high	95.5	Very high	37 Å²	37	53.5 Å²	53.5	16%	0.161	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4.9	-178.4	-64.4	-174.4	175.5	177.3	0	114	E57 E163 C164 L169	E57-K167 WeakPolarHBondContact OE1-CE 3.01Å; E57-K167 IonicContact OE1-NZ 3.77Å; E57-K167 PolarHBondContact OE1-NZ 2.99Å; E163-K167 HydrophobicContact CG-CD 3.91Å; E163-K167 HydrophobicContact CG-CG 4.34Å; E163-K167 PolarHBondContact O-N 3.17Å; E163-K167 VanDerWaalsContact OE1-CE 3.28Å; E163-K167 WeakPolarHBondContact OE1-CE 3.27Å; E163-K167 IonicContact OE1-NZ 3.53Å; E163-K167 PolarHBondContact OE1-NZ 2.95Å; C164-K167 CarbonylContact O-C 3.53Å; C164-K167 PolarHBondContact O-N 3.18Å; K167-L169 HydrophobicContact CB-CD1 4.05Å; K167-L169 HydrophobicContact CB-CG 3.83Å; K167-L169 PolarHBondContact O-N 3.06Å
168	Q	96.5	Very high	95.6	Very high	180 Å²	180	53 Å²	53	84%	0.841	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	32.2	-178.7	-54.3	-179.5	42.6	0	0	113.5	C164 R166	C164-Q168 CarbonylContact O-C 3.45Å; C164-Q168 WeakPolarHBondContact O-CA 3.5Å; C164-Q168 PolarHBondContact O-N 3.25Å; R166-Q168 PolarHBondContact O-N 2.82Å
169	L	96.6	Very high	95.7	Very high	37 Å²	37	50.4 Å²	50.4	19%	0.194	24%	0.236	C	C	.	.			trans	-89.7	141.6	178.1	-54.6	-179.9	0	0	0	110.8	L110 K111 C164 K167 K171	L110-L169 HydrophobicContact CB-CD1 4.24Å; L110-L169 HydrophobicContact CD2-CD1 4.14Å; L110-L169 HydrophobicContact CG-CD1 4.12Å; K111-L169 HydrophobicContact CB-CD1 4.21Å; K111-L169 HydrophobicContact CB-CD2 3.85Å; K111-L169 HydrophobicContact CD-CD2 4.19Å; K111-L169 HydrophobicContact CG-CD2 4.02Å; C164-L169 HydrophobicContact CB-CB 4.17Å; C164-L169 PolarHBondContact O-N 3.15Å; K167-L169 HydrophobicContact CB-CD1 4.05Å; K167-L169 HydrophobicContact CB-CG 3.83Å; K167-L169 PolarHBondContact O-N 3.06Å; L169-K171 PolarHBondContact O-N 3.46Å
170	L	94.4	Very high	95.8	Very high	169 Å²	169	50.6 Å²	50.6	89%	0.885	24%	0.237	S	C	*	.			trans	-75.6	114.1	168.5	-63.8	178.6	0	0	0	109.4
171	K	95.2	Very high	95.8	Very high	28 Å²	28	50.6 Å²	50.6	12%	0.122	24%	0.237	C	C	.	.			trans	-71.2	130.1	171	175.7	176.8	161.7	-174.3	0	109.5	L156 L160 E161 C164 L169 V173 N176	L156-K171 PolarHBondContact O-NZ 3.15Å; L160-K171 HydrophobicContact CD2-CD 4.3Å; L160-K171 HydrophobicContact CD2-CG 4.24Å; L160-K171 HydrophobicContact CG-CD 4.28Å; L160-K171 HydrophobicContact CG-CG 4.42Å; E161-K171 VanDerWaalsContact OE2-CD 3.31Å; E161-K171 WeakPolarHBondContact OE2-CD 3.29Å; E161-K171 IonicContact OE2-NZ 2.63Å; E161-K171 PolarHBondContact OE2-NZ 3.08Å; C164-K171 HydrophobicContact CB-CB 4.22Å; L169-K171 PolarHBondContact O-N 3.46Å; K171-V173 PolarHBondContact O-N 3.42Å; K171-N176 WeakPolarHBondContact CE-OD1 3.19Å; K171-N176 PolarHBondContact NZ-OD1 2.72Å
172	P	94.5	Very high	95.9	Very high	18 Å²	18	49.8 Å²	49.8	12%	0.117	23%	0.231	C	C	.	.			trans	-57.5	126.5	177.8	-26	34.4	0	0	0	112.3	L114 F174 L175	L114-P172 HydrophobicContact CD2-CG 4.27Å; P172-F174 HydrophobicContact CB-CD1 4.18Å; P172-F174 HydrophobicContact CB-CD2 4.29Å; P172-F174 HydrophobicContact CB-CE1 3.71Å; P172-F174 HydrophobicContact CB-CE2 3.84Å; P172-F174 HydrophobicContact CB-CG 4.46Å; P172-F174 HydrophobicContact CB-CZ 3.52Å; P172-F174 HydrophobicContact CG-CZ 4.29Å; P172-F174 PolarHBondContact O-N 3.22Å; P172-F174 VanDerWaalsContact O-N 3.14Å; P172-L175 HydrophobicContact CB-CD1 4.47Å; P172-L175 HydrophobicContact CG-CD1 4.42Å; P172-L175 WeakPolarHBondContact O-CB 3.24Å; P172-L175 PolarHBondContact O-N 2.89Å
173	V	92.1	Very high	95.9	Very high	101 Å²	101	45.7 Å²	45.7	61%	0.612	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-61.8	-26.9	-170.7	-65.6	0	0	0	0	114.1	K171 L175 N176	K171-V173 PolarHBondContact O-N 3.42Å; V173-L175 PolarHBondContact O-N 3.46Å; V173-N176 VanDerWaalsContact O-CB 3.28Å; V173-N176 WeakPolarHBondContact O-CB 3.14Å; V173-N176 PolarHBondContact O-N 2.99Å; V173-N176 VanDerWaalsContact O-N 3.12Å
174	F	92.3	Very high	95.9	Very high	32 Å²	32	46.3 Å²	46.3	14%	0.14	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-67.4	-21.7	175.7	54.8	-108.9	0	0	0	113.1	F117 I121 L132 F148 P172 N176	F117-F174 HydrophobicContact CD1-CE2 4.47Å; F117-F174 HydrophobicContact CE1-CE2 4.05Å; I121-F174 HydrophobicContact CB-CZ 4.45Å; I121-F174 HydrophobicContact CG1-CE2 4.1Å; I121-F174 HydrophobicContact CG1-CZ 4.12Å; I121-F174 HydrophobicContact CG2-CE1 4.43Å; I121-F174 HydrophobicContact CG2-CZ 4.24Å; L132-F174 HydrophobicContact CD1-CB 3.85Å; L132-F174 HydrophobicContact CD1-CD1 4.27Å; L132-F174 HydrophobicContact CD1-CD2 4.04Å; L132-F174 HydrophobicContact CD1-CG 3.81Å; F148-F174 WeakPolarHBondContact CD2-O 3.45Å; F148-F174 HydrophobicContact CE2-CB 4.14Å; F148-F174 AromaticContact CE2-CD2 3.61Å; F148-F174 HydrophobicContact CE2-CD2 3.61Å; F148-F174 HydrophobicContact CE2-CE2 4.49Å; F148-F174 HydrophobicContact CE2-CG 4.31Å; F148-F174 WeakPolarHBondContact CE2-O 3.27Å; F148-F174 AromaticContact CZ-CD2 3.52Å; F148-F174 HydrophobicContact CZ-CD2 3.52Å; F148-F174 AromaticContact CZ-CE2 3.98Å; F148-F174 HydrophobicContact CZ-CE2 3.98Å; F148-F174 HydrophobicContact CZ-CG 4.49Å; P172-F174 HydrophobicContact CB-CD1 4.18Å; P172-F174 HydrophobicContact CB-CD2 4.29Å; P172-F174 HydrophobicContact CB-CE1 3.71Å; P172-F174 HydrophobicContact CB-CE2 3.84Å; P172-F174 HydrophobicContact CB-CG 4.46Å; P172-F174 HydrophobicContact CB-CZ 3.52Å; P172-F174 HydrophobicContact CG-CZ 4.29Å; P172-F174 PolarHBondContact O-N 3.22Å; P172-F174 VanDerWaalsContact O-N 3.14Å; F174-N176 PolarHBondContact O-N 2.89Å
175	L	95.8	Very high	95.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-80.5	5.2	173.1	-66.9	179.8	0	0	0	113.6	I40 F117 F148 L156 L160 P172 V173	I40-L175 HydrophobicContact CD1-CD2 4.1Å; F117-L175 HydrophobicContact CE1-CD1 4.16Å; F117-L175 HydrophobicContact CE1-CD2 4.1Å; F117-L175 HydrophobicContact CE1-CG 4.49Å; F148-L175 HydrophobicContact CD1-CD2 3.79Å; F148-L175 HydrophobicContact CD2-CD2 4.11Å; F148-L175 HydrophobicContact CE1-CD2 3.7Å; F148-L175 HydrophobicContact CE2-CD2 4.04Å; F148-L175 HydrophobicContact CG-CD2 4Å; F148-L175 HydrophobicContact CZ-CD2 3.84Å; L156-L175 HydrophobicContact CD1-CD2 4.28Å; L156-L175 HydrophobicContact CD2-CB 4.23Å; L156-L175 HydrophobicContact CD2-CD1 4.24Å; L156-L175 HydrophobicContact CD2-CD2 3.94Å; L156-L175 HydrophobicContact CD2-CG 4.37Å; L160-L175 HydrophobicContact CD2-CD1 3.65Å; P172-L175 HydrophobicContact CB-CD1 4.47Å; P172-L175 HydrophobicContact CG-CD1 4.42Å; P172-L175 WeakPolarHBondContact O-CB 3.24Å; P172-L175 PolarHBondContact O-N 2.89Å; V173-L175 PolarHBondContact O-N 3.46Å
176	N	95.3	Very high	95.9	Very high	26 Å²	26	41.9 Å²	41.9	14%	0.139	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-83.8	-6.9	176.8	-72.8	-8.5	0	0	0	114.2	K171 V173 F174 S240 L241 N242	K171-N176 WeakPolarHBondContact CE-OD1 3.19Å; K171-N176 PolarHBondContact NZ-OD1 2.72Å; V173-N176 VanDerWaalsContact O-CB 3.28Å; V173-N176 WeakPolarHBondContact O-CB 3.14Å; V173-N176 PolarHBondContact O-N 2.99Å; V173-N176 VanDerWaalsContact O-N 3.12Å; F174-N176 PolarHBondContact O-N 2.89Å; N176-S240 CarbonylContact O-C 3.55Å; N176-S240 WeakPolarHBondContact O-CA 3.32Å; N176-L241 HydrophobicContact CB-CB 4.13Å; N176-L241 PolarHBondContact O-N 3.3Å; N176-N242 WeakPolarHBondContact CB-OD1 3.37Å; N176-N242 PolarHBondContact ND2-OD1 3.18Å
177	S	94.9	Very high	95.9	Very high	10 Å²	10	45.6 Å²	45.6	7%	0.07	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.6	179.8	-64.4	0	0	0	0	111.5	R239 S240	S177-R239 WeakPolarHBondContact CA-O 3.41Å; S177-S240 WeakPolarHBondContact OG-CB 3.28Å; S177-S240 PolarHBondContact OG-OG 2.66Å
178	W	97.2	Very high	96	Very high	6 Å²	6	47.1 Å²	47.1	2%	0.023	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	170.3	-176.5	69.3	97.9	0	0	0	114.3	F148 T150 L156 G157 T238 R239 L241	F148-W178 HydrophobicContact CB-CB 3.96Å; F148-W178 CarbonylContact O-C 3.53Å; F148-W178 VanDerWaalsContact O-CA 3.28Å; F148-W178 WeakPolarHBondContact O-CA 3.21Å; F148-W178 WeakPolarHBondContact O-CB 3.15Å; T150-W178 VanDerWaalsContact OG1-CD1 3.28Å; L156-W178 HydrophobicContact CB-CD2 4.02Å; L156-W178 HydrophobicContact CB-CE3 3.93Å; L156-W178 HydrophobicContact CB-CH2 4.35Å; L156-W178 HydrophobicContact CB-CZ2 4.4Å; L156-W178 HydrophobicContact CB-CZ3 4.11Å; L156-W178 HydrophobicContact CD1-CB 3.87Å; L156-W178 HydrophobicContact CD1-CD2 4.07Å; L156-W178 HydrophobicContact CD1-CE3 4.18Å; L156-W178 HydrophobicContact CD1-CG 3.95Å; G157-W178 VanDerWaalsContact CA-CH2 3.49Å; W178-T238 PolarHBondContact O-N 3.18Å; W178-T238 PolarHBondContact O-OG1 3.2Å; W178-R239 HydrophobicContact CD2-CB 3.81Å; W178-R239 HydrophobicContact CD2-CG 4.37Å; W178-R239 HydrophobicContact CE3-CB 4.2Å; W178-R239 HydrophobicContact CG-CB 4.35Å; W178-R239 HydrophobicContact CH2-CB 4.04Å; W178-R239 HydrophobicContact CZ2-CB 3.66Å; W178-R239 HydrophobicContact CZ2-CG 3.85Å; W178-R239 HydrophobicContact CZ3-CB 4.31Å; W178-R239 PolarHBondContact N-O 3.45Å; W178-R239 PolarHBondContact O-N 3.05Å; W178-L241 HydrophobicContact CH2-CD1 3.99Å; W178-L241 HydrophobicContact CH2-CD2 4.24Å; W178-L241 HydrophobicContact CH2-CG 3.92Å; W178-L241 HydrophobicContact CZ3-CD1 3.82Å; W178-L241 HydrophobicContact CZ3-CG 3.83Å
179	I	97.6	Very high	96	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.6	174	-47.7	-172.1	0	0	0	109.4	Y34 L37 A147 F148 V149 T150 L181 M235 K236 I237 T238	Y34-I179 HydrophobicContact CD2-CD1 4.41Å; Y34-I179 HydrophobicContact CE2-CD1 4.26Å; L37-I179 HydrophobicContact CD2-CD1 4.1Å; A147-I179 HydrophobicContact CB-CD1 4.13Å; A147-I179 HydrophobicContact CB-CG1 4.37Å; F148-I179 PolarHBondContact O-N 3.37Å; V149-I179 WeakPolarHBondContact CA-O 3.28Å; V149-I179 HydrophobicContact CG1-CB 4.37Å; V149-I179 HydrophobicContact CG2-CB 4.17Å; V149-I179 HydrophobicContact CG2-CD1 4.27Å; V149-I179 HydrophobicContact CG2-CG1 4.38Å; T150-I179 PolarHBondContact N-O 3.03Å; I179-L181 PolarHBondContact O-N 3.41Å; I179-M235 HydrophobicContact CD1-CB 3.87Å; I179-K236 WeakPolarHBondContact CG1-O 3.12Å; I179-I237 HydrophobicContact CG1-CD1 4.23Å; I179-T238 HydrophobicContact CG2-CG2 4.49Å
180	D	97.5	Very high	95.9	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.032	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	92.7	166.7	170.7	-6.7	0	0	0	107	R182 A183 T184 T238 R239	D180-R182 PolarHBondContact O-N 2.78Å; D180-R182 PolarHBondContact OD1-N 3.46Å; D180-A183 HydrophobicContact CB-CB 3.94Å; D180-A183 WeakPolarHBondContact O-CB 3.49Å; D180-A183 PolarHBondContact O-N 2.67Å; D180-A183 PolarHBondContact OD1-N 3.1Å; D180-A183 VanDerWaalsContact OD2-CB 3.27Å; D180-A183 WeakPolarHBondContact OD2-CB 3.4Å; D180-T184 PolarHBondContact O-N 3.03Å; D180-T184 PolarHBondContact O-OG1 3.2Å; D180-T238 WeakPolarHBondContact CB-OG1 3.27Å; D180-T238 PolarHBondContact N-OG1 2.7Å; D180-R239 HydrophobicContact CB-CG 4.43Å; D180-R239 IonicContact OD2-CZ 3.84Å; D180-R239 IonicContact OD2-NE 3.53Å; D180-R239 IonicContact OD2-NH2 2.77Å; D180-R239 PolarHBondContact OD2-NH2 3.49Å
181	L	97.9	Very high	95.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-31.4	-173.8	-169.5	68.7	0	0	0	111.2	V149 T150 I179 T184 Y185 T221 L224 A225 M228 M235	V149-L181 HydrophobicContact CG1-CB 3.91Å; V149-L181 HydrophobicContact CG1-CD1 4.39Å; T150-L181 WeakPolarHBondContact O-CB 3.46Å; T150-L181 PolarHBondContact O-N 3.4Å; I179-L181 PolarHBondContact O-N 3.41Å; L181-T184 PolarHBondContact O-N 3.31Å; L181-Y185 VanDerWaalsContact O-CB 3.29Å; L181-Y185 WeakPolarHBondContact O-CB 3.37Å; L181-Y185 PolarHBondContact O-N 3.44Å; L181-T221 HydrophobicContact CD2-CG2 3.58Å; L181-T221 WeakPolarHBondContact CD2-O 3.34Å; L181-L224 HydrophobicContact CD2-CB 4.19Å; L181-L224 HydrophobicContact CD2-CD2 4.12Å; L181-L224 HydrophobicContact CD2-CG 4.09Å; L181-A225 HydrophobicContact CD1-CB 3.98Å; L181-A225 HydrophobicContact CD2-CB 4.04Å; L181-M228 HydrophobicContact CD1-CE 3.88Å; L181-M228 HydrophobicContact CD1-SD 3.89Å; L181-M228 HydrophobicContact CG-SD 4.23Å; L181-M235 HydrophobicContact CD1-CE 3.85Å; L181-M235 HydrophobicContact CD1-SD 4.15Å
182	R	97.3	Very high	95.6	Very high	43 Å²	43	53.5 Å²	53.5	16%	0.162	25%	0.252	C	S	.	.	H	α-helix	trans	-71.2	-32.1	176.3	-169.3	-176.2	-172.6	179.3	8.3	112.7	W151 D180 K186 P193 P683	W151-R182 HydrophobicContact CD2-CB 3.96Å; W151-R182 HydrophobicContact CD2-CG 4.46Å; W151-R182 HydrophobicContact CE3-CB 3.9Å; W151-R182 HydrophobicContact CH2-CB 3.74Å; W151-R182 HydrophobicContact CH2-CG 3.57Å; W151-R182 HydrophobicContact CZ2-CB 3.79Å; W151-R182 HydrophobicContact CZ2-CG 3.4Å; W151-R182 VanDerWaalsContact CZ2-CG 3.4Å; W151-R182 HydrophobicContact CZ3-CB 3.8Å; W151-R182 HydrophobicContact CZ3-CG 4.16Å; W151-R182 WeakPolarHBondContact O-CB 3.25Å; W151-R182 PolarHBondContact O-N 3.2Å; D180-R182 PolarHBondContact O-N 2.78Å; D180-R182 PolarHBondContact OD1-N 3.46Å; R182-K186 VanDerWaalsContact O-CD 3.24Å; R182-K186 WeakPolarHBondContact O-CD 3.3Å; R182-K186 WeakPolarHBondContact O-CG 3.42Å; R182-K186 PolarHBondContact O-N 3.19Å; R182-P193 HydrophobicContact CG-CG 4.14Å; R182-P193 PolarHBondContact NH2-O 2.81Å; R182-P683 PolarHBondContact NH1-O 2.95Å
183	A	96.3	Very high	95.5	Very high	28 Å²	28	52.9 Å²	52.9	23%	0.231	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-45.7	168.4	0	0	0	0	0	111.1	D180 Y185 K186 L187	D180-A183 HydrophobicContact CB-CB 3.94Å; D180-A183 WeakPolarHBondContact O-CB 3.49Å; D180-A183 PolarHBondContact O-N 2.67Å; D180-A183 PolarHBondContact OD1-N 3.1Å; D180-A183 VanDerWaalsContact OD2-CB 3.27Å; D180-A183 WeakPolarHBondContact OD2-CB 3.4Å; A183-Y185 PolarHBondContact O-N 3.47Å; A183-K186 PolarHBondContact O-N 2.68Å; A183-L187 PolarHBondContact O-N 3.33Å
184	T	97.2	Very high	95.4	Very high	12 Å²	12	54.4 Å²	54.4	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-45.3	177.6	-51.9	0	0	0	0	111.4	D180 L181 K186 L187 F188 M228 M235	D180-T184 PolarHBondContact O-N 3.03Å; D180-T184 PolarHBondContact O-OG1 3.2Å; L181-T184 PolarHBondContact O-N 3.31Å; T184-K186 PolarHBondContact O-N 3.05Å; T184-L187 PolarHBondContact O-N 2.94Å; T184-F188 VanDerWaalsContact O-CB 3.24Å; T184-F188 WeakPolarHBondContact O-CB 3.18Å; T184-F188 PolarHBondContact O-N 3.45Å; T184-M228 HydrophobicContact CG2-CE 3.58Å; T184-M235 HydrophobicContact CG2-SD 4.23Å
185	Y	97.7	Very high	95.5	Very high	1 Å²	1	53 Å²	53	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-57.1	-47.3	173.9	-177.7	-76	0	0	0	111.9	L181 A183 L187 F188 Y189 R191 P193 A199 E202 V203 L224 M228	L181-Y185 VanDerWaalsContact O-CB 3.29Å; L181-Y185 WeakPolarHBondContact O-CB 3.37Å; L181-Y185 PolarHBondContact O-N 3.44Å; A183-Y185 PolarHBondContact O-N 3.47Å; Y185-L187 VanDerWaalsContact C-N 3.35Å; Y185-L187 PolarHBondContact O-N 3.44Å; Y185-F188 PolarHBondContact O-N 3.14Å; Y185-Y189 HydrophobicContact CD1-CD2 4.14Å; Y185-Y189 AromaticContact CD2-CD2 3.47Å; Y185-Y189 HydrophobicContact CD2-CD2 3.47Å; Y185-Y189 VanDerWaalsContact CD2-CD2 3.47Å; Y185-Y189 AromaticContact CD2-CE2 3.64Å; Y185-Y189 HydrophobicContact CD2-CE2 3.64Å; Y185-Y189 HydrophobicContact CE1-CD2 4.06Å; Y185-Y189 AromaticContact CE2-CD2 3.37Å; Y185-Y189 HydrophobicContact CE2-CD2 3.37Å; Y185-Y189 AromaticContact CE2-CE2 3.54Å; Y185-Y189 HydrophobicContact CE2-CE2 3.54Å; Y185-Y189 HydrophobicContact CE2-CG 4.47Å; Y185-Y189 AromaticContact CG-CD2 3.84Å; Y185-Y189 HydrophobicContact CG-CD2 3.84Å; Y185-Y189 HydrophobicContact CG-CE2 4.41Å; Y185-Y189 AromaticContact CZ-CD2 3.68Å; Y185-Y189 PolarHBondContact O-N 3.43Å; Y185-R191 HydrophobicContact CE1-CB 4.43Å; Y185-P193 HydrophobicContact CD1-CB 4.23Å; Y185-P193 HydrophobicContact CD1-CG 3.6Å; Y185-P193 HydrophobicContact CE1-CB 3.87Å; Y185-P193 HydrophobicContact CE1-CG 3.76Å; Y185-P193 HydrophobicContact CG-CG 4.32Å; Y185-A199 HydrophobicContact CD2-CB 4.14Å; Y185-A199 HydrophobicContact CE2-CB 3.77Å; Y185-E202 WeakPolarHBondContact OH-CB 3.23Å; Y185-E202 PolarHBondContact OH-OE2 3.32Å; Y185-V203 HydrophobicContact CE2-CG1 3.96Å; Y185-L224 HydrophobicContact CD2-CD1 4.19Å; Y185-L224 HydrophobicContact CD2-CD2 4.33Å; Y185-L224 HydrophobicContact CE2-CD1 4.17Å; Y185-M228 HydrophobicContact CD2-SD 3.93Å; Y185-M228 HydrophobicContact CG-SD 4.47Å
186	K	96.6	Very high	95.4	Very high	81 Å²	81	53.1 Å²	53.1	35%	0.352	24%	0.242	S	C	.	.	H	α-helix	trans	-62	-42.2	179.5	-72.3	159.9	-167.4	144.8	0	111.9	R182 A183 T184 K190 R191	R182-K186 VanDerWaalsContact O-CD 3.24Å; R182-K186 WeakPolarHBondContact O-CD 3.3Å; R182-K186 WeakPolarHBondContact O-CG 3.42Å; R182-K186 PolarHBondContact O-N 3.19Å; A183-K186 PolarHBondContact O-N 2.68Å; T184-K186 PolarHBondContact O-N 3.05Å; K186-K190 WeakPolarHBondContact O-CA 3.09Å; K186-K190 PolarHBondContact O-N 2.64Å; K186-K190 VanDerWaalsContact O-N 3.14Å; K186-R191 VanDerWaalsContact CA-O 3.32Å; K186-R191 WeakPolarHBondContact CA-O 3.34Å; K186-R191 WeakPolarHBondContact CG-O 3.48Å
187	L	96.4	Very high	95.4	Very high	143 Å²	143	53.4 Å²	53.4	75%	0.749	25%	0.246	S	C	*	.	H	α-helix	trans	-67.8	-46.2	179.4	-179.5	61.3	0	0	0	111.2	A183 T184 Y185	A183-L187 PolarHBondContact O-N 3.33Å; T184-L187 PolarHBondContact O-N 2.94Å; Y185-L187 VanDerWaalsContact C-N 3.35Å; Y185-L187 PolarHBondContact O-N 3.44Å
188	F	97.1	Very high	95.4	Very high	68 Å²	68	53.9 Å²	53.9	30%	0.298	25%	0.252	S	S	.	.	H	α-helix	trans	-72.1	-58.8	-174.7	-175.8	-112.5	0	0	0	112.8	T184 Y185 K190 D231 C233	T184-F188 VanDerWaalsContact O-CB 3.24Å; T184-F188 WeakPolarHBondContact O-CB 3.18Å; T184-F188 PolarHBondContact O-N 3.45Å; Y185-F188 PolarHBondContact O-N 3.14Å; F188-K190 VanDerWaalsContact C-N 3.31Å; F188-K190 PolarHBondContact O-N 3.01Å; F188-D231 HydrophobicContact CE1-CB 3.86Å; F188-D231 HydrophobicContact CZ-CB 4.08Å; F188-D231 WeakPolarHBondContact CZ-O 3.48Å; F188-C233 HydrophobicContact CD1-CB 3.95Å; F188-C233 HydrophobicContact CD2-CB 3.78Å; F188-C233 HydrophobicContact CE1-CB 3.91Å; F188-C233 HydrophobicContact CE2-CB 3.75Å; F188-C233 HydrophobicContact CG-CB 3.89Å; F188-C233 VanDerWaalsContact CG-SG 3.58Å; F188-C233 HydrophobicContact CZ-CB 3.82Å
189	Y	96.4	Very high	95.3	Very high	34 Å²	34	53.6 Å²	53.6	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-82.5	-6.3	-178.3	-65.2	-62.4	0	0	0	114	Y185 R191 V203 M228 D231	Y185-Y189 HydrophobicContact CD1-CD2 4.14Å; Y185-Y189 AromaticContact CD2-CD2 3.47Å; Y185-Y189 HydrophobicContact CD2-CD2 3.47Å; Y185-Y189 VanDerWaalsContact CD2-CD2 3.47Å; Y185-Y189 AromaticContact CD2-CE2 3.64Å; Y185-Y189 HydrophobicContact CD2-CE2 3.64Å; Y185-Y189 HydrophobicContact CE1-CD2 4.06Å; Y185-Y189 AromaticContact CE2-CD2 3.37Å; Y185-Y189 HydrophobicContact CE2-CD2 3.37Å; Y185-Y189 AromaticContact CE2-CE2 3.54Å; Y185-Y189 HydrophobicContact CE2-CE2 3.54Å; Y185-Y189 HydrophobicContact CE2-CG 4.47Å; Y185-Y189 AromaticContact CG-CD2 3.84Å; Y185-Y189 HydrophobicContact CG-CD2 3.84Å; Y185-Y189 HydrophobicContact CG-CE2 4.41Å; Y185-Y189 AromaticContact CZ-CD2 3.68Å; Y185-Y189 PolarHBondContact O-N 3.43Å; Y189-R191 VanDerWaalsContact C-N 3.26Å; Y189-R191 PolarHBondContact O-N 3.04Å; Y189-V203 HydrophobicContact CD2-CG1 4.47Å; Y189-V203 HydrophobicContact CE1-CG1 4.4Å; Y189-V203 HydrophobicContact CE2-CG1 3.66Å; Y189-M228 HydrophobicContact CE2-CG 3.56Å; Y189-M228 HydrophobicContact CE2-SD 4.23Å; Y189-D231 HydrophobicContact CE1-CB 4.49Å; Y189-D231 PolarHBondContact OH-OD2 2.78Å
190	K	95.1	Very high	95.3	Very high	186 Å²	186	53.6 Å²	53.6	81%	0.809	25%	0.251	S	S	*	.			trans	56.8	35.2	-178.5	-56.7	-179.4	-177.2	178.6	0	113.3	K186 F188	K186-K190 WeakPolarHBondContact O-CA 3.09Å; K186-K190 PolarHBondContact O-N 2.64Å; K186-K190 VanDerWaalsContact O-N 3.14Å; F188-K190 VanDerWaalsContact C-N 3.31Å; F188-K190 PolarHBondContact O-N 3.01Å
191	R	91.9	Very high	95.3	Very high	140 Å²	140	58.7 Å²	58.7	53%	0.528	27%	0.274	S	S	.	.			trans	-132.1	159.1	-178.3	-68.5	179.9	-167	100.6	8.5	111.9	Y185 K186 Y189	Y185-R191 HydrophobicContact CE1-CB 4.43Å; K186-R191 VanDerWaalsContact CA-O 3.32Å; K186-R191 WeakPolarHBondContact CA-O 3.34Å; K186-R191 WeakPolarHBondContact CG-O 3.48Å; Y189-R191 VanDerWaalsContact C-N 3.26Å; Y189-R191 PolarHBondContact O-N 3.04Å
192	K	91.1	Very high	95.1	Very high	189 Å²	189	62.7 Å²	62.7	82%	0.822	29%	0.293	S	S	*	.			trans	-109.3	102.7	176.3	-70.4	-179.4	-179.1	176	0	109.8
193	P	91.4	Very high	95.1	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.032	29%	0.289	C	S	.	.			trans	-75.3	150.3	-177.1	30	-34.9	0	0	0	112.6	W151 R182 Y185 A199	W151-P193 HydrophobicContact CH2-CB 4.41Å; W151-P193 HydrophobicContact CH2-CG 3.83Å; W151-P193 HydrophobicContact CZ2-CG 4.18Å; R182-P193 HydrophobicContact CG-CG 4.14Å; R182-P193 PolarHBondContact NH2-O 2.81Å; Y185-P193 HydrophobicContact CD1-CB 4.23Å; Y185-P193 HydrophobicContact CD1-CG 3.6Å; Y185-P193 HydrophobicContact CE1-CB 3.87Å; Y185-P193 HydrophobicContact CE1-CG 3.76Å; Y185-P193 HydrophobicContact CG-CG 4.32Å; P193-A199 HydrophobicContact CB-CB 3.63Å; P193-A199 HydrophobicContact CG-CB 4.22Å
194	K	91.3	Very high	95	Very high	133 Å²	133	62.1 Å²	62.1	58%	0.578	30%	0.302	S	S	*	.	S	Bend	trans	-90.1	107.1	172.1	-68.5	172.8	150	-117.5	0	109.5	G198 N687	K194-G198 WeakPolarHBondContact O-CA 3.3Å; K194-G198 PolarHBondContact O-N 2.99Å; K194-N687 PolarHBondContact NZ-OXT 3.32Å
195	G	92.9	Very high	95	Very high	3 Å²	3	63.7 Å²	63.7	3%	0.031	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-167.1	-170.8	0	0	0	0	0	113.2	W151 R686	W151-G195 VanDerWaalsContact CZ2-C 3.45Å; W151-G195 WeakPolarHBondContact CZ2-O 3.46Å; G195-R686 VanDerWaalsContact CA-O 3.23Å; G195-R686 WeakPolarHBondContact CA-O 3.35Å; G195-R686 PolarHBondContact N-O 2.93Å
196	L	94.6	Very high	95	Very high	2 Å²	2	71.7 Å²	71.7	1%	0.01	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-48.2	170.6	174.9	61.8	0	0	0	110.8	W151 G198 A199 L200 F207 D217 N220 T221 L224	W151-L196 HydrophobicContact CD2-CB 4.18Å; W151-L196 HydrophobicContact CD2-CD1 4.15Å; W151-L196 HydrophobicContact CE3-CD1 3.75Å; W151-L196 HydrophobicContact CZ3-CD1 3.98Å; L196-G198 VanDerWaalsContact C-N 3.3Å; L196-G198 PolarHBondContact O-N 2.82Å; L196-A199 WeakPolarHBondContact O-CA 3.1Å; L196-A199 VanDerWaalsContact O-CB 3.28Å; L196-A199 WeakPolarHBondContact O-CB 3.46Å; L196-A199 PolarHBondContact O-N 3Å; L196-L200 HydrophobicContact CD1-CD1 4.23Å; L196-L200 HydrophobicContact CD1-CG 4.41Å; L196-L200 HydrophobicContact CG-CD1 3.89Å; L196-L200 PolarHBondContact O-N 2.95Å; L196-F207 HydrophobicContact CD2-CE2 4.29Å; L196-D217 HydrophobicContact CD2-CB 4.19Å; L196-D217 WeakPolarHBondContact CD2-O 3.44Å; L196-D217 WeakPolarHBondContact CD2-OD1 3.47Å; L196-N220 HydrophobicContact CD2-CB 4.17Å; L196-T221 WeakPolarHBondContact CD2-OG1 3.42Å; L196-L224 HydrophobicContact CD1-CD2 3.76Å
197	S	94.8	Very high	95	Very high	32 Å²	32	69.5 Å²	69.5	22%	0.224	34%	0.337	C	S	.	.	H	α-helix	trans	-49.5	-43	177	-175.3	0	0	0	0	113.8	A199 L200 Q201 E211	S197-A199 PolarHBondContact O-N 3.03Å; S197-L200 PolarHBondContact O-N 3.22Å; S197-Q201 WeakPolarHBondContact O-CB 3.43Å; S197-Q201 PolarHBondContact O-N 3.45Å; S197-E211 WeakPolarHBondContact CB-OE1 3.49Å; S197-E211 PolarHBondContact OG-OE1 3.17Å
198	G	95.1	Very high	95	Very high	19 Å²	19	66.5 Å²	66.5	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-73.4	-23.2	176	0	0	0	0	0	114.9	K194 L196 E202	K194-G198 WeakPolarHBondContact O-CA 3.3Å; K194-G198 PolarHBondContact O-N 2.99Å; L196-G198 VanDerWaalsContact C-N 3.3Å; L196-G198 PolarHBondContact O-N 2.82Å; G198-E202 WeakPolarHBondContact O-CG 3.47Å; G198-E202 PolarHBondContact O-N 3.23Å
199	A	96.4	Very high	95	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-71.9	-46.5	171.2	0	0	0	0	0	110.8	W151 Y185 P193 L196 S197 Q201 E202 V203 L224	W151-A199 HydrophobicContact CH2-CB 3.73Å; W151-A199 HydrophobicContact CZ3-CB 4.29Å; Y185-A199 HydrophobicContact CD2-CB 4.14Å; Y185-A199 HydrophobicContact CE2-CB 3.77Å; P193-A199 HydrophobicContact CB-CB 3.63Å; P193-A199 HydrophobicContact CG-CB 4.22Å; L196-A199 WeakPolarHBondContact O-CA 3.1Å; L196-A199 VanDerWaalsContact O-CB 3.28Å; L196-A199 WeakPolarHBondContact O-CB 3.46Å; L196-A199 PolarHBondContact O-N 3Å; S197-A199 PolarHBondContact O-N 3.03Å; A199-Q201 PolarHBondContact O-N 2.95Å; A199-E202 PolarHBondContact O-N 2.85Å; A199-E202 VanDerWaalsContact O-N 3.15Å; A199-V203 PolarHBondContact O-N 3.25Å; A199-V203 VanDerWaalsContact O-N 3.08Å; A199-L224 HydrophobicContact CB-CD2 3.75Å
200	L	97.1	Very high	94.9	Very high	1 Å²	1	69 Å²	69	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-56	-49.8	174.5	-66.4	159.2	0	0	0	110.6	L196 S197 E202 V203 G204 I205 F207 N220 L224	L196-L200 HydrophobicContact CD1-CD1 4.23Å; L196-L200 HydrophobicContact CD1-CG 4.41Å; L196-L200 HydrophobicContact CG-CD1 3.89Å; L196-L200 PolarHBondContact O-N 2.95Å; S197-L200 PolarHBondContact O-N 3.22Å; L200-E202 VanDerWaalsContact C-N 3.27Å; L200-E202 PolarHBondContact O-N 3.22Å; L200-V203 CarbonylContact O-C 3.53Å; L200-V203 VanDerWaalsContact O-CG2 3.27Å; L200-V203 WeakPolarHBondContact O-CG2 3.44Å; L200-V203 PolarHBondContact O-N 3.37Å; L200-V203 VanDerWaalsContact O-N 3.15Å; L200-G204 PolarHBondContact O-N 3.42Å; L200-I205 CarbonylContact C-O 3.52Å; L200-I205 HydrophobicContact CB-CB 4.19Å; L200-I205 HydrophobicContact CB-CG2 4.47Å; L200-I205 HydrophobicContact CD2-CB 3.94Å; L200-I205 HydrophobicContact CD2-CD1 4.16Å; L200-I205 HydrophobicContact CD2-CG2 3.77Å; L200-I205 PolarHBondContact O-N 3.11Å; L200-F207 HydrophobicContact CD1-CD2 3.71Å; L200-F207 HydrophobicContact CD1-CE2 4.35Å; L200-N220 HydrophobicContact CD1-CB 3.88Å; L200-L224 HydrophobicContact CD2-CB 3.91Å
201	Q	96.1	Very high	94.9	Very high	112 Å²	112	63.4 Å²	63.4	52%	0.523	33%	0.329	S	S	.	.	H	α-helix	trans	-64.9	-25.5	178.8	-159.2	-166.9	112.6	0	0	113.9	S197 A199 I205	S197-Q201 WeakPolarHBondContact O-CB 3.43Å; S197-Q201 PolarHBondContact O-N 3.45Å; A199-Q201 PolarHBondContact O-N 2.95Å; Q201-I205 PolarHBondContact N-O 2.68Å
202	E	95.1	Very high	95	Very high	84 Å²	84	57.4 Å²	57.4	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-73.5	-43	172.5	-84	-176.8	-174.5	0	0	111.7	Y185 G198 A199 L200 G204	Y185-E202 WeakPolarHBondContact OH-CB 3.23Å; Y185-E202 PolarHBondContact OH-OE2 3.32Å; G198-E202 WeakPolarHBondContact O-CG 3.47Å; G198-E202 PolarHBondContact O-N 3.23Å; A199-E202 PolarHBondContact O-N 2.85Å; A199-E202 VanDerWaalsContact O-N 3.15Å; L200-E202 VanDerWaalsContact C-N 3.27Å; L200-E202 PolarHBondContact O-N 3.22Å; E202-G204 PolarHBondContact O-N 2.9Å
203	V	95.7	Very high	95.3	Very high	11 Å²	11	49.5 Å²	49.5	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-78.4	-5	173.7	-57.7	0	0	0	0	113.6	R15 Y185 Y189 A199 L200 I205 L224 K227	R15-V203 PolarHBondContact NH2-O 2.97Å; Y185-V203 HydrophobicContact CE2-CG1 3.96Å; Y189-V203 HydrophobicContact CD2-CG1 4.47Å; Y189-V203 HydrophobicContact CE1-CG1 4.4Å; Y189-V203 HydrophobicContact CE2-CG1 3.66Å; A199-V203 PolarHBondContact O-N 3.25Å; A199-V203 VanDerWaalsContact O-N 3.08Å; L200-V203 CarbonylContact O-C 3.53Å; L200-V203 VanDerWaalsContact O-CG2 3.27Å; L200-V203 WeakPolarHBondContact O-CG2 3.44Å; L200-V203 PolarHBondContact O-N 3.37Å; L200-V203 VanDerWaalsContact O-N 3.15Å; V203-I205 HydrophobicContact CG2-CB 4.42Å; V203-I205 HydrophobicContact CG2-CD1 3.85Å; V203-I205 HydrophobicContact CG2-CG1 4.04Å; V203-L224 HydrophobicContact CG1-CD1 4.21Å; V203-L224 HydrophobicContact CG2-CD1 3.69Å; V203-K227 HydrophobicContact CB-CG 3.93Å; V203-K227 HydrophobicContact CG1-CG 4.46Å; V203-K227 HydrophobicContact CG2-CG 3.94Å
204	G	95.9	Very high	95.5	Very high	49 Å²	49	49.2 Å²	49.2	51%	0.505	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	30.9	174.2	0	0	0	0	0	113.9	L200 E202	L200-G204 PolarHBondContact O-N 3.42Å; E202-G204 PolarHBondContact O-N 2.9Å
205	I	96.5	Very high	95.9	Very high	45 Å²	45	43.9 Å²	43.9	23%	0.231	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-97.9	142.6	166.4	-62.3	169.4	0	0	0	107.4	L200 Q201 V203 K227	L200-I205 CarbonylContact C-O 3.52Å; L200-I205 HydrophobicContact CB-CB 4.19Å; L200-I205 HydrophobicContact CB-CG2 4.47Å; L200-I205 HydrophobicContact CD2-CB 3.94Å; L200-I205 HydrophobicContact CD2-CD1 4.16Å; L200-I205 HydrophobicContact CD2-CG2 3.77Å; L200-I205 PolarHBondContact O-N 3.11Å; Q201-I205 PolarHBondContact N-O 2.68Å; V203-I205 HydrophobicContact CG2-CB 4.42Å; V203-I205 HydrophobicContact CG2-CD1 3.85Å; V203-I205 HydrophobicContact CG2-CG1 4.04Å; I205-K227 HydrophobicContact CD1-CB 3.79Å; I205-K227 HydrophobicContact CD1-CG 3.98Å
206	E	96.6	Very high	96.1	Very high	168 Å²	168	45 Å²	45	79%	0.785	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-93.5	144	170.2	-172.5	144.8	-131.1	0	0	109.3	S208	E206-S208 PolarHBondContact O-N 2.64Å
207	F	97.1	Very high	96.3	Very high	36 Å²	36	45.1 Å²	45.1	16%	0.158	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-70.9	129.2	-179.3	-168.5	-77.5	0	0	0	109.7	L196 L200 R210 E211 D216 D217 N220	L196-F207 HydrophobicContact CD2-CE2 4.29Å; L200-F207 HydrophobicContact CD1-CD2 3.71Å; L200-F207 HydrophobicContact CD1-CE2 4.35Å; F207-R210 VanDerWaalsContact CE1-C 3.41Å; F207-E211 HydrophobicContact CD1-CG 3.93Å; F207-E211 HydrophobicContact CD2-CG 3.98Å; F207-E211 HydrophobicContact CE1-CB 4.5Å; F207-E211 HydrophobicContact CE1-CG 3.93Å; F207-E211 HydrophobicContact CE2-CG 3.96Å; F207-E211 HydrophobicContact CG-CG 3.98Å; F207-E211 HydrophobicContact CZ-CB 4.39Å; F207-E211 HydrophobicContact CZ-CG 3.94Å; F207-D216 HydrophobicContact CE1-CB 4.45Å; F207-D217 WeakPolarHBondContact CE2-OD1 3.48Å; F207-D217 WeakPolarHBondContact CZ-OD1 3.17Å; F207-N220 HydrophobicContact CD2-CB 4.25Å; F207-N220 HydrophobicContact CE2-CB 3.91Å; F207-N220 HydrophobicContact CZ-CB 4.35Å; F207-N220 WeakPolarHBondContact CZ-ND2 3.49Å
208	S	97	Very high	96.5	Very high	79 Å²	79	43.6 Å²	43.6	55%	0.552	25%	0.247	S	C	*	.			trans	-104	138.8	177.6	-173.3	0	0	0	0	111.3	E206 N220	E206-S208 PolarHBondContact O-N 2.64Å; S208-N220 PolarHBondContact N-OD1 3.12Å; S208-N220 PolarHBondContact O-ND2 3.4Å
209	G	96.4	Very high	96.7	Very high	56 Å²	56	46.5 Å²	46.5	58%	0.577	25%	0.252	S	S	*	.	S	Bend	trans	78.4	-150.4	-175.5	0	0	0	0	0	112.6
210	R	95.6	Very high	96.8	Very high	98 Å²	98	46.6 Å²	46.6	37%	0.37	25%	0.252	S	S	.	.			trans	-104.3	128.3	-175.2	-168.3	-161.5	-172.1	-76.3	6.8	111.2	E95 L96 T97 G98 F207 H212 S213 D216	E95-R210 PolarHBondContact O-NH2 2.9Å; L96-R210 PolarHBondContact O-NH1 3.03Å; T97-R210 VanDerWaalsContact C-CZ 3.4Å; T97-R210 VanDerWaalsContact C-NH1 3.33Å; T97-R210 VanDerWaalsContact O-CZ 3.32Å; T97-R210 PolarHBondContact O-NH1 3.3Å; G98-R210 VanDerWaalsContact N-NH2 3.19Å; F207-R210 VanDerWaalsContact CE1-C 3.41Å; R210-H212 PolarHBondContact O-N 3.42Å; R210-S213 WeakPolarHBondContact O-CB 3.28Å; R210-S213 PolarHBondContact O-N 3.05Å; R210-S213 VanDerWaalsContact O-N 3.14Å; R210-D216 PolarHBondContact N-OD2 2.92Å
211	E	93.9	Very high	96.8	Very high	70 Å²	70	46.5 Å²	46.5	33%	0.327	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	134.4	168.1	-65.1	-168.2	-160.9	0	0	108.8	S197 F207 S213	S197-E211 WeakPolarHBondContact CB-OE1 3.49Å; S197-E211 PolarHBondContact OG-OE1 3.17Å; F207-E211 HydrophobicContact CD1-CG 3.93Å; F207-E211 HydrophobicContact CD2-CG 3.98Å; F207-E211 HydrophobicContact CE1-CB 4.5Å; F207-E211 HydrophobicContact CE1-CG 3.93Å; F207-E211 HydrophobicContact CE2-CG 3.96Å; F207-E211 HydrophobicContact CG-CG 3.98Å; F207-E211 HydrophobicContact CZ-CB 4.39Å; F207-E211 HydrophobicContact CZ-CG 3.94Å; E211-S213 VanDerWaalsContact C-N 3.26Å; E211-S213 PolarHBondContact O-N 3.43Å
212	H	93.6	Very high	96.9	Very high	13 Å²	13	41.2 Å²	41.2	6%	0.06	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	20.1	-176	-39.1	-29.2	0	0	0	115.5	E43 L96 T97 R210 D217	E43-H212 WeakPolarHBondContact CG-O 2.96Å; E43-H212 VanDerWaalsContact OE1-CA 3.23Å; E43-H212 WeakPolarHBondContact OE1-CA 3.43Å; E43-H212 WeakPolarHBondContact OE1-CB 3.15Å; L96-H212 VanDerWaalsContact CD1-CD2 3.49Å; L96-H212 WeakPolarHBondContact CD1-CD2 3.38Å; L96-H212 WeakPolarHBondContact O-CB 3.47Å; T97-H212 VanDerWaalsContact CA-O 3.3Å; T97-H212 WeakPolarHBondContact CA-O 3.36Å; R210-H212 PolarHBondContact O-N 3.42Å; H212-D217 VanDerWaalsContact CA-OD2 3.28Å; H212-D217 WeakPolarHBondContact CA-OD2 3.11Å; H212-D217 PolarHBondContact N-OD2 2.96Å; H212-D217 IonicContact ND1-OD2 3.88Å
213	S	97.3	Very high	97.1	Very high	23 Å²	23	40.7 Å²	40.7	16%	0.161	23%	0.227	C	C	.	.			trans	-85.9	115.8	148.1	160.6	0	0	0	0	106.1	R210 E211 L215 D216 D217	R210-S213 WeakPolarHBondContact O-CB 3.28Å; R210-S213 PolarHBondContact O-N 3.05Å; R210-S213 VanDerWaalsContact O-N 3.14Å; E211-S213 VanDerWaalsContact C-N 3.26Å; E211-S213 PolarHBondContact O-N 3.43Å; S213-L215 VanDerWaalsContact C-N 3.27Å; S213-L215 PolarHBondContact O-N 2.76Å; S213-D216 WeakPolarHBondContact CB-OD2 3.23Å; S213-D216 PolarHBondContact O-N 3.24Å; S213-D216 PolarHBondContact OG-OD2 2.97Å; S213-D216 VanDerWaalsContact OG-OD2 3.07Å; S213-D217 PolarHBondContact O-N 3.24Å
214	G	97.4	Very high	97.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-37.2	-171.6	0	0	0	0	0	112.5	E60 P62 S218	E60-G214 VanDerWaalsContact CD-N 3.33Å; E60-G214 PolarHBondContact OE1-N 2.95Å; E60-G214 PolarHBondContact OE2-N 3.15Å; P62-G214 WeakPolarHBondContact CG-O 3.16Å; G214-S218 VanDerWaalsContact O-CB 3.26Å; G214-S218 WeakPolarHBondContact O-CB 3.06Å; G214-S218 PolarHBondContact O-N 3.25Å; G214-S218 PolarHBondContact O-OG 3.38Å
215	L	98.2	Very high	97.3	Very high	21 Å²	21	37.9 Å²	37.9	11%	0.11	20%	0.2	C	C	.	.	H	α-helix	trans	-64.6	-40.4	175.4	-175.8	58.7	0	0	0	112.2	E60 P62 V64 H78 S213 S218 R219	E60-L215 PolarHBondContact OE1-N 3.44Å; P62-L215 HydrophobicContact CB-CB 4.07Å; P62-L215 HydrophobicContact CB-CD1 4.07Å; V64-L215 HydrophobicContact CG1-CD1 3.94Å; H78-L215 HydrophobicContact CB-CD2 4.38Å; S213-L215 VanDerWaalsContact C-N 3.27Å; S213-L215 PolarHBondContact O-N 2.76Å; L215-S218 PolarHBondContact O-N 3.23Å; L215-R219 VanDerWaalsContact O-CG 3.29Å; L215-R219 WeakPolarHBondContact O-CG 3.47Å; L215-R219 PolarHBondContact O-N 2.62Å
216	D	98.4	Very high	97.4	Very high	26 Å²	26	37.8 Å²	37.8	14%	0.139	20%	0.196	C	C	.	.	H	α-helix	trans	-73.6	-42.6	177.3	-65.2	-32.1	0	0	0	111.6	F207 R210 S213 S218 R219 N220	F207-D216 HydrophobicContact CE1-CB 4.45Å; R210-D216 PolarHBondContact N-OD2 2.92Å; S213-D216 WeakPolarHBondContact CB-OD2 3.23Å; S213-D216 PolarHBondContact O-N 3.24Å; S213-D216 PolarHBondContact OG-OD2 2.97Å; S213-D216 VanDerWaalsContact OG-OD2 3.07Å; D216-S218 PolarHBondContact O-N 3.43Å; D216-R219 PolarHBondContact O-N 2.96Å; D216-R219 IonicContact OD1-NH1 3.58Å; D216-R219 PolarHBondContact OD1-NH1 3.47Å; D216-N220 WeakPolarHBondContact O-CB 3.03Å; D216-N220 PolarHBondContact O-N 2.69Å; D216-N220 PolarHBondContact O-ND2 2.77Å
217	D	98.3	Very high	97.5	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-59.5	-35.2	172.5	-88.9	-29	0	0	0	110.9	D41 L196 F207 H212 S213 T221	D41-D217 HydrophobicContact CB-CB 4.33Å; L196-D217 HydrophobicContact CD2-CB 4.19Å; L196-D217 WeakPolarHBondContact CD2-O 3.44Å; L196-D217 WeakPolarHBondContact CD2-OD1 3.47Å; F207-D217 WeakPolarHBondContact CE2-OD1 3.48Å; F207-D217 WeakPolarHBondContact CZ-OD1 3.17Å; H212-D217 VanDerWaalsContact CA-OD2 3.28Å; H212-D217 WeakPolarHBondContact CA-OD2 3.11Å; H212-D217 PolarHBondContact N-OD2 2.96Å; H212-D217 IonicContact ND1-OD2 3.88Å; S213-D217 PolarHBondContact O-N 3.24Å; D217-T221 WeakPolarHBondContact O-CB 3.3Å; D217-T221 PolarHBondContact O-N 2.95Å; D217-T221 PolarHBondContact O-OG1 3.1Å
218	S	98.6	Very high	97.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-47.9	172.8	-62.3	0	0	0	0	112.5	D41 G214 L215 D216 T221 A222	D41-S218 PolarHBondContact N-OG 2.73Å; G214-S218 VanDerWaalsContact O-CB 3.26Å; G214-S218 WeakPolarHBondContact O-CB 3.06Å; G214-S218 PolarHBondContact O-N 3.25Å; G214-S218 PolarHBondContact O-OG 3.38Å; L215-S218 PolarHBondContact O-N 3.23Å; D216-S218 PolarHBondContact O-N 3.43Å; S218-T221 PolarHBondContact O-N 3.2Å; S218-A222 PolarHBondContact O-N 3.48Å
219	R	98.7	Very high	97.5	Very high	81 Å²	81	27.9 Å²	27.9	31%	0.306	14%	0.141	S	C	.	.	H	α-helix	trans	-60.3	-46.3	175.3	-71.7	164.9	175.6	158.9	-4.2	112.1	V64 I73 E76 L215 D216 T221 A222 L223	V64-R219 HydrophobicContact CG1-CG 4.13Å; I73-R219 HydrophobicContact CD1-CB 4.25Å; I73-R219 HydrophobicContact CD1-CG 3.95Å; E76-R219 IonicContact OE1-CZ 3.58Å; E76-R219 IonicContact OE1-NE 3.6Å; E76-R219 PolarHBondContact OE1-NE 3.49Å; E76-R219 IonicContact OE1-NH2 2.73Å; E76-R219 PolarHBondContact OE1-NH2 2.85Å; E76-R219 IonicContact OE2-CZ 2.8Å; E76-R219 IonicContact OE2-NE 3.47Å; E76-R219 IonicContact OE2-NH2 3.41Å; E76-R219 PolarHBondContact OE2-NH2 3.37Å; L215-R219 VanDerWaalsContact O-CG 3.29Å; L215-R219 WeakPolarHBondContact O-CG 3.47Å; L215-R219 PolarHBondContact O-N 2.62Å; D216-R219 PolarHBondContact O-N 2.96Å; D216-R219 IonicContact OD1-NH1 3.58Å; D216-R219 PolarHBondContact OD1-NH1 3.47Å; R219-T221 VanDerWaalsContact C-N 3.34Å; R219-T221 PolarHBondContact O-N 3.25Å; R219-A222 WeakPolarHBondContact O-CB 3.29Å; R219-A222 PolarHBondContact O-N 2.93Å; R219-L223 WeakPolarHBondContact O-CG 3.42Å; R219-L223 PolarHBondContact O-N 2.76Å
220	N	98.6	Very high	97.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-65.9	-36.8	177.6	-77.3	-85.1	0	0	0	111.8	L196 L200 F207 S208 D216 A222 L223 L224	L196-N220 HydrophobicContact CD2-CB 4.17Å; L200-N220 HydrophobicContact CD1-CB 3.88Å; F207-N220 HydrophobicContact CD2-CB 4.25Å; F207-N220 HydrophobicContact CE2-CB 3.91Å; F207-N220 HydrophobicContact CZ-CB 4.35Å; F207-N220 WeakPolarHBondContact CZ-ND2 3.49Å; S208-N220 PolarHBondContact N-OD1 3.12Å; S208-N220 PolarHBondContact O-ND2 3.4Å; D216-N220 WeakPolarHBondContact O-CB 3.03Å; D216-N220 PolarHBondContact O-N 2.69Å; D216-N220 PolarHBondContact O-ND2 2.77Å; N220-A222 VanDerWaalsContact C-N 3.34Å; N220-L223 PolarHBondContact O-N 2.86Å; N220-L224 PolarHBondContact O-N 3.45Å
221	T	98.6	Very high	97.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-37.1	172.7	-63.3	0	0	0	0	111.5	V39 L181 L196 D217 S218 R219 L224 A225	V39-T221 HydrophobicContact CG1-CG2 3.38Å; L181-T221 HydrophobicContact CD2-CG2 3.58Å; L181-T221 WeakPolarHBondContact CD2-O 3.34Å; L196-T221 WeakPolarHBondContact CD2-OG1 3.42Å; D217-T221 WeakPolarHBondContact O-CB 3.3Å; D217-T221 PolarHBondContact O-N 2.95Å; D217-T221 PolarHBondContact O-OG1 3.1Å; S218-T221 PolarHBondContact O-N 3.2Å; R219-T221 VanDerWaalsContact C-N 3.34Å; R219-T221 PolarHBondContact O-N 3.25Å; T221-L224 PolarHBondContact O-N 2.78Å; T221-A225 WeakPolarHBondContact O-CB 3.28Å; T221-A225 PolarHBondContact O-N 3.29Å
222	A	98.6	Very high	97.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-46	172.1	0	0	0	0	0	112.3	V39 V64 L66 I73 S218 R219 N220 L224 A225 W226	V39-A222 HydrophobicContact CB-CB 4.4Å; V39-A222 HydrophobicContact CG2-CB 3.84Å; V64-A222 HydrophobicContact CG2-CB 3.93Å; L66-A222 HydrophobicContact CB-CB 4.27Å; L66-A222 HydrophobicContact CD1-CB 4.43Å; L66-A222 HydrophobicContact CD2-CB 4.17Å; L66-A222 WeakPolarHBondContact CD2-O 3.42Å; I73-A222 HydrophobicContact CD1-CB 4.33Å; S218-A222 PolarHBondContact O-N 3.48Å; R219-A222 WeakPolarHBondContact O-CB 3.29Å; R219-A222 PolarHBondContact O-N 2.93Å; N220-A222 VanDerWaalsContact C-N 3.34Å; A222-L224 VanDerWaalsContact C-N 3.3Å; A222-L224 PolarHBondContact O-N 2.79Å; A222-A225 PolarHBondContact O-N 3.25Å; A222-A225 VanDerWaalsContact O-N 3.16Å; A222-W226 PolarHBondContact O-N 3.13Å
223	L	98.3	Very high	97.7	Very high	73 Å²	73	30.4 Å²	30.4	38%	0.382	15%	0.148	S	C	.	.	H	α-helix	trans	-59.8	-38.9	174.6	-68.5	173.4	0	0	0	112.2	R219 N220 K227	R219-L223 WeakPolarHBondContact O-CG 3.42Å; R219-L223 PolarHBondContact O-N 2.76Å; N220-L223 PolarHBondContact O-N 2.86Å; L223-K227 VanDerWaalsContact O-CB 3.31Å; L223-K227 WeakPolarHBondContact O-CB 3.49Å; L223-K227 PolarHBondContact O-N 3.41Å
224	L	98.4	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-41.8	174	-177.4	58.6	0	0	0	112.2	W151 L181 Y185 L196 A199 L200 V203 N220 T221 A222 K227 M228	W151-L224 HydrophobicContact CE3-CD2 4.46Å; W151-L224 HydrophobicContact CH2-CD2 4.46Å; W151-L224 HydrophobicContact CZ3-CD2 3.72Å; L181-L224 HydrophobicContact CD2-CB 4.19Å; L181-L224 HydrophobicContact CD2-CD2 4.12Å; L181-L224 HydrophobicContact CD2-CG 4.09Å; Y185-L224 HydrophobicContact CD2-CD1 4.19Å; Y185-L224 HydrophobicContact CD2-CD2 4.33Å; Y185-L224 HydrophobicContact CE2-CD1 4.17Å; L196-L224 HydrophobicContact CD1-CD2 3.76Å; A199-L224 HydrophobicContact CB-CD2 3.75Å; L200-L224 HydrophobicContact CD2-CB 3.91Å; V203-L224 HydrophobicContact CG1-CD1 4.21Å; V203-L224 HydrophobicContact CG2-CD1 3.69Å; N220-L224 PolarHBondContact O-N 3.45Å; T221-L224 PolarHBondContact O-N 2.78Å; A222-L224 VanDerWaalsContact C-N 3.3Å; A222-L224 PolarHBondContact O-N 2.79Å; L224-K227 PolarHBondContact O-N 2.93Å; L224-M228 HydrophobicContact CD1-SD 4.49Å; L224-M228 HydrophobicContact CG-SD 4.26Å; L224-M228 WeakPolarHBondContact O-CB 3.05Å; L224-M228 WeakPolarHBondContact O-CG 3.38Å; L224-M228 PolarHBondContact O-N 3.04Å
225	A	98.3	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.6	-45.2	176	0	0	0	0	0	111.5	L37 L66 L181 T221 A222 M228 I229 M235	L37-A225 HydrophobicContact CD1-CB 4.49Å; L66-A225 HydrophobicContact CD2-CB 4.12Å; L181-A225 HydrophobicContact CD1-CB 3.98Å; L181-A225 HydrophobicContact CD2-CB 4.04Å; T221-A225 WeakPolarHBondContact O-CB 3.28Å; T221-A225 PolarHBondContact O-N 3.29Å; A222-A225 PolarHBondContact O-N 3.25Å; A222-A225 VanDerWaalsContact O-N 3.16Å; A225-M228 WeakPolarHBondContact O-CB 3.4Å; A225-M228 PolarHBondContact O-N 3.02Å; A225-I229 WeakPolarHBondContact O-CG1 3.31Å; A225-I229 PolarHBondContact O-N 2.77Å; A225-M235 HydrophobicContact CB-CE 4.04Å; A225-M235 VanDerWaalsContact O-CE 3.28Å; A225-M235 WeakPolarHBondContact O-CE 3.17Å
226	W	98.1	Very high	97.3	Very high	43 Å²	43	37.7 Å²	37.7	16%	0.163	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-43.2	174.3	176.5	-139.8	0	0	0	112.4	L66 T68 T70 G71 A222 M228 I229 R230	L66-W226 HydrophobicContact CD1-CB 4.39Å; L66-W226 HydrophobicContact CD2-CB 4.3Å; T68-W226 VanDerWaalsContact O-CZ3 3.31Å; T68-W226 WeakPolarHBondContact O-CZ3 3.42Å; T70-W226 WeakPolarHBondContact O-CZ2 3.26Å; G71-W226 VanDerWaalsContact CA-CD2 3.45Å; A222-W226 PolarHBondContact O-N 3.13Å; W226-M228 VanDerWaalsContact C-N 3.32Å; W226-M228 PolarHBondContact O-N 2.89Å; W226-I229 HydrophobicContact CE3-CB 4Å; W226-I229 HydrophobicContact CE3-CD1 4.49Å; W226-I229 HydrophobicContact CE3-CG2 3.82Å; W226-I229 HydrophobicContact CZ3-CB 4.4Å; W226-I229 HydrophobicContact CZ3-CG2 3.7Å; W226-I229 WeakPolarHBondContact O-CB 3.49Å; W226-I229 PolarHBondContact O-N 2.94Å; W226-R230 HydrophobicContact CD2-CG 3.9Å; W226-R230 VanDerWaalsContact CE2-CD 3.43Å; W226-R230 HydrophobicContact CE3-CG 4.04Å; W226-R230 HydrophobicContact CH2-CG 3.96Å; W226-R230 HydrophobicContact CZ2-CG 3.8Å; W226-R230 HydrophobicContact CZ3-CG 4.06Å; W226-R230 WeakPolarHBondContact O-CG 3.1Å; W226-R230 PolarHBondContact O-N 3.5Å
227	K	97.8	Very high	97.1	Very high	58 Å²	58	39 Å²	39	25%	0.252	19%	0.185	S	C	.	.	H	α-helix	trans	-60.9	-39.9	175	174.6	55.6	-174.9	158.5	0	112.3	V203 I205 L223 L224 R230 D231	V203-K227 HydrophobicContact CB-CG 3.93Å; V203-K227 HydrophobicContact CG1-CG 4.46Å; V203-K227 HydrophobicContact CG2-CG 3.94Å; I205-K227 HydrophobicContact CD1-CB 3.79Å; I205-K227 HydrophobicContact CD1-CG 3.98Å; L223-K227 VanDerWaalsContact O-CB 3.31Å; L223-K227 WeakPolarHBondContact O-CB 3.49Å; L223-K227 PolarHBondContact O-N 3.41Å; L224-K227 PolarHBondContact O-N 2.93Å; K227-R230 PolarHBondContact O-N 3.03Å; K227-D231 WeakPolarHBondContact CE-OD1 3.3Å; K227-D231 WeakPolarHBondContact CE-OD2 3.41Å; K227-D231 VanDerWaalsContact NZ-CG 3.28Å; K227-D231 IonicContact NZ-OD1 3.18Å; K227-D231 PolarHBondContact NZ-OD1 3.24Å; K227-D231 IonicContact NZ-OD2 3.49Å; K227-D231 PolarHBondContact NZ-OD2 3.33Å; K227-D231 PolarHBondContact O-N 2.9Å
228	M	97.6	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-43.4	173.7	-77.7	171.7	54.4	0	0	112.1	L181 T184 Y185 Y189 L224 A225 W226 R230 D231 G232 C233 M235	L181-M228 HydrophobicContact CD1-CE 3.88Å; L181-M228 HydrophobicContact CD1-SD 3.89Å; L181-M228 HydrophobicContact CG-SD 4.23Å; T184-M228 HydrophobicContact CG2-CE 3.58Å; Y185-M228 HydrophobicContact CD2-SD 3.93Å; Y185-M228 HydrophobicContact CG-SD 4.47Å; Y189-M228 HydrophobicContact CE2-CG 3.56Å; Y189-M228 HydrophobicContact CE2-SD 4.23Å; L224-M228 HydrophobicContact CD1-SD 4.49Å; L224-M228 HydrophobicContact CG-SD 4.26Å; L224-M228 WeakPolarHBondContact O-CB 3.05Å; L224-M228 WeakPolarHBondContact O-CG 3.38Å; L224-M228 PolarHBondContact O-N 3.04Å; A225-M228 WeakPolarHBondContact O-CB 3.4Å; A225-M228 PolarHBondContact O-N 3.02Å; W226-M228 VanDerWaalsContact C-N 3.32Å; W226-M228 PolarHBondContact O-N 2.89Å; M228-R230 PolarHBondContact O-N 2.74Å; M228-D231 PolarHBondContact O-N 3.29Å; M228-G232 PolarHBondContact O-N 3.31Å; M228-C233 HydrophobicContact CB-CB 3.89Å; M228-C233 WeakPolarHBondContact O-CB 3.46Å; M228-C233 PolarHBondContact O-N 2.68Å; M228-M235 HydrophobicContact CB-CE 3.77Å; M228-M235 HydrophobicContact CE-CE 4.15Å
229	I	97.2	Very high	96.7	Very high	17 Å²	17	45.9 Å²	45.9	9%	0.087	22%	0.218	C	C	.	.	H	α-helix	trans	-57.3	-49.1	174.1	-71.8	164.5	0	0	0	110.6	Q32 L37 T68 A225 W226 D231 G232 M235	Q32-I229 HydrophobicContact CG-CD1 4.25Å; Q32-I229 HydrophobicContact CG-CG1 4.15Å; Q32-I229 HydrophobicContact CG-CG2 3.85Å; L37-I229 HydrophobicContact CD1-CD1 4.04Å; T68-I229 HydrophobicContact CG2-CD1 3.94Å; A225-I229 WeakPolarHBondContact O-CG1 3.31Å; A225-I229 PolarHBondContact O-N 2.77Å; W226-I229 HydrophobicContact CE3-CB 4Å; W226-I229 HydrophobicContact CE3-CD1 4.49Å; W226-I229 HydrophobicContact CE3-CG2 3.82Å; W226-I229 HydrophobicContact CZ3-CB 4.4Å; W226-I229 HydrophobicContact CZ3-CG2 3.7Å; W226-I229 WeakPolarHBondContact O-CB 3.49Å; W226-I229 PolarHBondContact O-N 2.94Å; I229-D231 VanDerWaalsContact C-N 3.26Å; I229-D231 PolarHBondContact O-N 3.3Å; I229-G232 PolarHBondContact O-N 2.96Å; I229-M235 HydrophobicContact CD1-CE 4.34Å; I229-M235 HydrophobicContact CD1-CG 4.06Å; I229-M235 HydrophobicContact CG1-CE 3.85Å; I229-M235 HydrophobicContact CG1-CG 3.88Å
230	R	95.8	Very high	96.4	Very high	177 Å²	177	44 Å²	44	67%	0.668	22%	0.217	S	C	*	.	H	α-helix	trans	-62.6	-28.1	178	-74.2	-176.9	63.8	172.7	3.7	114.2	W226 K227 M228 G232	W226-R230 HydrophobicContact CD2-CG 3.9Å; W226-R230 VanDerWaalsContact CE2-CD 3.43Å; W226-R230 HydrophobicContact CE3-CG 4.04Å; W226-R230 HydrophobicContact CH2-CG 3.96Å; W226-R230 HydrophobicContact CZ2-CG 3.8Å; W226-R230 HydrophobicContact CZ3-CG 4.06Å; W226-R230 WeakPolarHBondContact O-CG 3.1Å; W226-R230 PolarHBondContact O-N 3.5Å; K227-R230 PolarHBondContact O-N 3.03Å; M228-R230 PolarHBondContact O-N 2.74Å; R230-G232 VanDerWaalsContact C-N 3.27Å
231	D	95.9	Very high	95.8	Very high	70 Å²	70	47.4 Å²	47.4	37%	0.374	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.9	175	-74.1	-6.7	0	0	0	113	F188 Y189 K227 M228 I229	F188-D231 HydrophobicContact CE1-CB 3.86Å; F188-D231 HydrophobicContact CZ-CB 4.08Å; F188-D231 WeakPolarHBondContact CZ-O 3.48Å; Y189-D231 HydrophobicContact CE1-CB 4.49Å; Y189-D231 PolarHBondContact OH-OD2 2.78Å; K227-D231 WeakPolarHBondContact CE-OD1 3.3Å; K227-D231 WeakPolarHBondContact CE-OD2 3.41Å; K227-D231 VanDerWaalsContact NZ-CG 3.28Å; K227-D231 IonicContact NZ-OD1 3.18Å; K227-D231 PolarHBondContact NZ-OD1 3.24Å; K227-D231 IonicContact NZ-OD2 3.49Å; K227-D231 PolarHBondContact NZ-OD2 3.33Å; K227-D231 PolarHBondContact O-N 2.9Å; M228-D231 PolarHBondContact O-N 3.29Å; I229-D231 VanDerWaalsContact C-N 3.26Å; I229-D231 PolarHBondContact O-N 3.3Å
232	G	95.4	Very high	94.5	Very high	38 Å²	38	51.3 Å²	51.3	39%	0.392	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.4	16.5	178.2	0	0	0	0	0	115.2	M228 I229 R230	M228-G232 PolarHBondContact O-N 3.31Å; I229-G232 PolarHBondContact O-N 2.96Å; R230-G232 VanDerWaalsContact C-N 3.27Å
233	C	95.7	Very high	92.3	Very high	6 Å²	6	58.5 Å²	58.5	4%	0.041	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-78.3	128.1	175.9	-160.7	0	0	0	0	111.1	Q32 F188 M228	Q32-C233 PolarHBondContact NE2-O 2.96Å; Q32-C233 PolarHBondContact OE1-O 2.96Å; F188-C233 HydrophobicContact CD1-CB 3.95Å; F188-C233 HydrophobicContact CD2-CB 3.78Å; F188-C233 HydrophobicContact CE1-CB 3.91Å; F188-C233 HydrophobicContact CE2-CB 3.75Å; F188-C233 HydrophobicContact CG-CB 3.89Å; F188-C233 VanDerWaalsContact CG-SG 3.58Å; F188-C233 HydrophobicContact CZ-CB 3.82Å; M228-C233 HydrophobicContact CB-CB 3.89Å; M228-C233 WeakPolarHBondContact O-CB 3.46Å; M228-C233 PolarHBondContact O-N 2.68Å
234	L	94.9	Very high	89.5	Confident	73 Å²	73	61.1 Å²	61.1	38%	0.382	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-89.4	116.3	170.4	-72.1	175.3	0	0	0	110.1	F30	F30-L234 HydrophobicContact CB-CD2 4.17Å
235	M	94.9	Very high	86.5	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.01	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-72.6	132.5	177.6	-65.7	-61.9	176.5	0	0	110.8	Y34 L37 I179 L181 T184 A225 M228 I229	Y34-M235 HydrophobicContact CD2-CB 4.4Å; Y34-M235 WeakPolarHBondContact CE2-O 3.09Å; L37-M235 HydrophobicContact CD1-CG 4.15Å; I179-M235 HydrophobicContact CD1-CB 3.87Å; L181-M235 HydrophobicContact CD1-CE 3.85Å; L181-M235 HydrophobicContact CD1-SD 4.15Å; T184-M235 HydrophobicContact CG2-SD 4.23Å; A225-M235 HydrophobicContact CB-CE 4.04Å; A225-M235 VanDerWaalsContact O-CE 3.28Å; A225-M235 WeakPolarHBondContact O-CE 3.17Å; M228-M235 HydrophobicContact CB-CE 3.77Å; M228-M235 HydrophobicContact CE-CE 4.15Å; I229-M235 HydrophobicContact CD1-CE 4.34Å; I229-M235 HydrophobicContact CD1-CG 4.06Å; I229-M235 HydrophobicContact CG1-CE 3.85Å; I229-M235 HydrophobicContact CG1-CG 3.88Å
236	K	94.5	Very high	83.4	Confident	122 Å²	122	72.5 Å²	72.5	53%	0.53	37%	0.369	S	S	.	.			trans	-147.1	143.1	-177	-62.3	-171.8	-179.8	-170.1	0	110.1	I179 T238	I179-K236 WeakPolarHBondContact CG1-O 3.12Å; K236-T238 PolarHBondContact O-N 3.07Å
237	I	94.9	Very high	80.3	Confident	53 Å²	53	79.3 Å²	79.3	27%	0.272	40%	0.4	S	S	.	.			trans	-55.4	121.3	171.5	-63	-64.3	0	0	0	109.8	A147 I179 R239	A147-I237 HydrophobicContact CB-CD1 3.79Å; I179-I237 HydrophobicContact CG1-CD1 4.23Å; I237-R239 WeakPolarHBondContact CG2-O 3.3Å
238	T	94.8	Very high	77.3	Confident	58 Å²	58	85.4 Å²	85.4	36%	0.356	43%	0.427	S	S	.	.			trans	-100.8	-26.1	178.7	55.8	0	0	0	0	112.2	W178 I179 D180 K236	W178-T238 PolarHBondContact O-N 3.18Å; W178-T238 PolarHBondContact O-OG1 3.2Å; I179-T238 HydrophobicContact CG2-CG2 4.49Å; D180-T238 WeakPolarHBondContact CB-OG1 3.27Å; D180-T238 PolarHBondContact N-OG1 2.7Å; K236-T238 PolarHBondContact O-N 3.07Å
239	R	93.3	Very high	74.1	Confident	91 Å²	91	92 Å²	92	34%	0.343	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.6	-177.4	-53.8	-55.1	174.6	170.4	14	110.5	D153 S177 W178 D180 I237	D153-R239 VanDerWaalsContact CG-CZ 3.5Å; D153-R239 VanDerWaalsContact CG-NE 3.34Å; D153-R239 VanDerWaalsContact CG-NH2 3.27Å; D153-R239 WeakPolarHBondContact OD1-CD 3.49Å; D153-R239 WeakPolarHBondContact OD1-CG 3.39Å; D153-R239 IonicContact OD1-CZ 2.72Å; D153-R239 IonicContact OD1-NE 2.68Å; D153-R239 PolarHBondContact OD1-NE 3.32Å; D153-R239 IonicContact OD1-NH2 2.66Å; D153-R239 PolarHBondContact OD1-NH2 3.39Å; D153-R239 VanDerWaalsContact OD1-NH2 3.11Å; D153-R239 IonicContact OD2-CZ 3.13Å; D153-R239 IonicContact OD2-NE 3.64Å; D153-R239 PolarHBondContact OD2-NE 2.88Å; D153-R239 IonicContact OD2-NH1 3.1Å; D153-R239 IonicContact OD2-NH2 2.7Å; D153-R239 PolarHBondContact OD2-NH2 3.26Å; S177-R239 WeakPolarHBondContact CA-O 3.41Å; W178-R239 HydrophobicContact CD2-CB 3.81Å; W178-R239 HydrophobicContact CD2-CG 4.37Å; W178-R239 HydrophobicContact CE3-CB 4.2Å; W178-R239 HydrophobicContact CG-CB 4.35Å; W178-R239 HydrophobicContact CH2-CB 4.04Å; W178-R239 HydrophobicContact CZ2-CB 3.66Å; W178-R239 HydrophobicContact CZ2-CG 3.85Å; W178-R239 HydrophobicContact CZ3-CB 4.31Å; W178-R239 PolarHBondContact N-O 3.45Å; W178-R239 PolarHBondContact O-N 3.05Å; D180-R239 HydrophobicContact CB-CG 4.43Å; D180-R239 IonicContact OD2-CZ 3.84Å; D180-R239 IonicContact OD2-NE 3.53Å; D180-R239 IonicContact OD2-NH2 2.77Å; D180-R239 PolarHBondContact OD2-NH2 3.49Å; I237-R239 WeakPolarHBondContact CG2-O 3.3Å
240	S	92.8	Very high	71.2	Confident	41 Å²	41	97.6 Å²	97.6	29%	0.287	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	136.5	161.9	-172.9	0	0	0	0	110.3	N176 S177	N176-S240 CarbonylContact O-C 3.55Å; N176-S240 WeakPolarHBondContact O-CA 3.32Å; S177-S240 WeakPolarHBondContact OG-CB 3.28Å; S177-S240 PolarHBondContact OG-OG 2.66Å
241	L	85.9	Confident	68.4	Low	72 Å²	72	98 Å²	98	38%	0.377	51%	0.506	S	S	.	.	S	Bend	trans	-88.9	-14.1	178.5	-64	170.9	0	0	0	113	E161 N176 W178 K243	E161-L241 WeakPolarHBondContact OE2-CD1 3.41Å; N176-L241 HydrophobicContact CB-CB 4.13Å; N176-L241 PolarHBondContact O-N 3.3Å; W178-L241 HydrophobicContact CH2-CD1 3.99Å; W178-L241 HydrophobicContact CH2-CD2 4.24Å; W178-L241 HydrophobicContact CH2-CG 3.92Å; W178-L241 HydrophobicContact CZ3-CD1 3.82Å; W178-L241 HydrophobicContact CZ3-CG 3.83Å; L241-K243 PolarHBondContact O-N 3.49Å
242	N	70.8	Confident	65.8	Low	82 Å²	82	102.6 Å²	102.6	44%	0.439	53%	0.529	S	S	.	.			trans	-69.4	17.5	-178	-65.5	-3.3	0	0	0	113.9	N176 V244	N176-N242 WeakPolarHBondContact CB-OD1 3.37Å; N176-N242 PolarHBondContact ND2-OD1 3.18Å; N242-V244 PolarHBondContact O-N 2.92Å
243	K	53.4	Low	62.9	Low	152 Å²	152	109 Å²	109	66%	0.661	55%	0.553	S	S	*	*			trans	-83.5	77.2	-175.3	-68.9	-171.1	176.8	-175.6	0	112.4	L241 L245	L241-K243 PolarHBondContact O-N 3.49Å; K243-L245 VanDerWaalsContact C-N 3.3Å; K243-L245 PolarHBondContact O-N 2.92Å
244	V	39.1	Very low	60	Low	129 Å²	129	115.3 Å²	115.3	78%	0.782	59%	0.591	S	S	*	*			trans	-61.1	101.5	142.7	177.1	0	0	0	0	106.4	N242 T246	N242-V244 PolarHBondContact O-N 2.92Å; V244-T246 VanDerWaalsContact C-N 3.29Å; V244-T246 PolarHBondContact O-N 2.94Å
245	L	36.1	Very low	56.9	Low	136 Å²	136	121 Å²	121	71%	0.712	61%	0.613	S	S	*	*			trans	-77.2	76.9	-171.2	-165.3	98.3	0	0	0	111.4	K243 K247	K243-L245 VanDerWaalsContact C-N 3.3Å; K243-L245 PolarHBondContact O-N 2.92Å; L245-K247 PolarHBondContact O-N 2.93Å; L245-K247 VanDerWaalsContact O-N 3.13Å
246	T	32.4	Very low	53.8	Low	102 Å²	102	127.7 Å²	127.7	63%	0.626	65%	0.649	S	S	*	*			trans	-58.2	117.5	163.8	56.8	0	0	0	0	108.5	V244 K248	V244-T246 VanDerWaalsContact C-N 3.29Å; V244-T246 PolarHBondContact O-N 2.94Å; T246-K248 PolarHBondContact O-N 2.87Å
247	K	33.3	Very low	50.8	Low	186 Å²	186	129.9 Å²	129.9	81%	0.809	67%	0.665	S	S	*	*			trans	-69.8	76.8	177.1	-73.9	-177.2	177.4	176.1	0	111	L245 N249	L245-K247 PolarHBondContact O-N 2.93Å; L245-K247 VanDerWaalsContact O-N 3.13Å; K247-N249 PolarHBondContact O-N 2.82Å
248	K	35.2	Very low	47.6	Very low	187 Å²	187	132.7 Å²	132.7	81%	0.813	69%	0.689	S	S	*	*			trans	-80.6	111.8	160.7	-71	-171.5	176.6	-179.4	0	107.8	T246	T246-K248 PolarHBondContact O-N 2.87Å
249	N	29.4	Very low	44.6	Very low	137 Å²	137	136.3 Å²	136.3	73%	0.733	71%	0.712	S	S	*	*			trans	-66.5	132.9	-179	-70.7	-47.7	0	0	0	110.2	K247 K251	K247-N249 PolarHBondContact O-N 2.82Å; N249-K251 PolarHBondContact O-N 2.89Å
250	P	37.1	Very low	41.6	Very low	135 Å²	135	138.8 Å²	138.8	88%	0.877	73%	0.732	S	S	*	*	S	Bend	trans	-80	66	177.5	33.4	-35.7	0	0	0	111.5
251	K	36.8	Very low	38.7	Very low	185 Å²	185	146.4 Å²	146.4	80%	0.804	76%	0.763	S	S	*	*			trans	-141.2	148.4	164.2	-70.5	-168.1	177.3	-175.6	0	108.1	N249	N249-K251 PolarHBondContact O-N 2.89Å
252	I	40.3	Very low	36	Very low	168 Å²	168	148.9 Å²	148.9	86%	0.862	78%	0.781	S	S	*	*			trans	70.8	78.7	-168.8	-44.9	173.4	0	0	0	112.9
253	L	35	Very low	34.1	Very low	172 Å²	172	154.2 Å²	154.2	90%	0.901	80%	0.8	S	S	*	*			trans	-154	63.7	134.3	-152	81.7	0	0	0	111.2
254	V	34.4	Very low	32.8	Very low	139 Å²	139	154.7 Å²	154.7	84%	0.842	81%	0.805	S	S	*	*			trans	-137.6	87	166.8	-178	0	0	0	0	108.5
255	K	30.4	Very low	32.2	Very low	191 Å²	191	154.6 Å²	154.6	83%	0.83	81%	0.805	S	S	*	*			trans	-179.1	154.7	141.6	-108	179.3	-179.8	-172.1	0	112.8
256	N	29.6	Very low	31.8	Very low	144 Å²	144	153.6 Å²	153.6	77%	0.77	81%	0.809	S	S	*	*			trans	65.3	86.1	157.3	-55.7	5	0	0	0	118
257	L	31.4	Very low	31.6	Very low	168 Å²	168	153.5 Å²	153.5	88%	0.88	82%	0.819	S	S	*	*			trans	-118.2	96.1	131.6	-177	69.8	0	0	0	108
258	S	27.8	Very low	31.1	Very low	111 Å²	111	150 Å²	150	78%	0.776	82%	0.816	S	S	*	*			trans	-160.9	124.7	167	-64.8	0	0	0	0	106.2
259	T	32.3	Very low	30.6	Very low	135 Å²	135	149.2 Å²	149.2	83%	0.828	82%	0.821	S	S	*	*			trans	-126	138.3	172.7	-60.8	0	0	0	0	106.8
260	D	29.4	Very low	30.5	Very low	142 Å²	142	149.8 Å²	149.8	76%	0.759	82%	0.822	S	S	*	*			trans	-74.4	151	-156.9	-49.4	-90.9	0	0	0	113.9
261	Q	32.4	Very low	29.9	Very low	201 Å²	201	148 Å²	148	94%	0.939	81%	0.813	S	S	*	*			trans	-124.6	143.2	142.5	-75	-153.8	43.7	0	0	109.1
262	V	30.4	Very low	29.5	Very low	124 Å²	124	146.4 Å²	146.4	75%	0.752	81%	0.812	S	S	*	*			trans	-102.7	133.4	-165.6	175.4	0	0	0	0	110.7
263	K	29	Very low	28.9	Very low	194 Å²	194	146.7 Å²	146.7	84%	0.843	81%	0.81	S	S	*	*			trans	-168.5	149.8	133.8	-106.5	161.9	-174.7	-177.9	0	113.6
264	E	26.7	Very low	28.6	Very low	163 Å²	163	141.9 Å²	141.9	76%	0.762	80%	0.802	S	S	*	*			trans	-69.5	158	-176.3	-55.7	134.5	113.6	0	0	111.5
265	T	27.4	Very low	28.8	Very low	127 Å²	127	141.5 Å²	141.5	78%	0.779	80%	0.802	S	S	*	*				-178.4	158.9	69.7	26	0	0	0	0	113.8
266	S	28	Very low	28.6	Very low	115 Å²	115	137.6 Å²	137.6	80%	0.804	80%	0.798	S	S	*	*			trans	86.6	151.9	144.6	79.8	0	0	0	0	122.9
267	A	26.8	Very low	28.7	Very low	100 Å²	100	137.7 Å²	137.7	83%	0.826	80%	0.798	S	S	*	*			trans	71.3	101.1	159.9	0	0	0	0	0	120.4
268	C	22.7	Very low	28.5	Very low	113 Å²	113	139.4 Å²	139.4	76%	0.764	79%	0.794	S	S	*	*			trans	-84.3	159.6	159.5	-56.5	0	0	0	0	111.7
269	N	24.8	Very low	28.6	Very low	170 Å²	170	140.5 Å²	140.5	91%	0.909	79%	0.787	S	S	*	*			trans	-154.9	161.1	142.1	-107.3	-43.8	0	0	0	111.2
270	I	27.3	Very low	28.3	Very low	148 Å²	148	142.8 Å²	142.8	76%	0.759	79%	0.785	S	S	*	*			trans	-130.3	157.5	-153.3	-52.9	174.2	0	0	0	111.9
271	S	24.1	Very low	28.2	Very low	99 Å²	99	142.1 Å²	142.1	69%	0.692	78%	0.778	S	S	*	*			trans	80.2	161.1	161.8	-123.2	0	0	0	0	115.3
272	I	29.3	Very low	28.6	Very low	150 Å²	150	138.4 Å²	138.4	77%	0.769	77%	0.771	S	S	*	*			cis	-126.6	161.2	17.4	-66.9	178.1	0	0	0	113.1
273	Q	27.4	Very low	28.5	Very low	175 Å²	175	140.3 Å²	140.3	82%	0.818	77%	0.769	S	S	*	*			trans	-51.2	166.4	175.8	-56.6	143.9	-39.8	0	0	116.6
274	G	29.3	Very low	28.3	Very low	71 Å²	71	136.1 Å²	136.1	73%	0.732	76%	0.764	S	S	*	*			trans	-127.9	167.4	144.7	0	0	0	0	0	110.5
275	P	37.4	Very low	28.3	Very low	130 Å²	130	134 Å²	134	84%	0.844	76%	0.763	S	S	*	*			trans	-113.1	153.1	174.7	37.2	-28	0	0	0	114.2
276	S	26.5	Very low	28.2	Very low	109 Å²	109	134.4 Å²	134.4	76%	0.762	76%	0.764	S	S	*	*			trans	-97.9	-179.4	163.1	66.6	0	0	0	0	110.3
277	I	32.5	Very low	28.1	Very low	147 Å²	147	135.5 Å²	135.5	75%	0.754	76%	0.761	S	S	*	*			trans	-174.8	116.9	143.4	-102.6	156.1	0	0	0	114.3
278	Y	28.2	Very low	28.1	Very low	204 Å²	204	135.5 Å²	135.5	80%	0.8	75%	0.751	S	S	*	*			trans	54.4	168.4	149.5	-68	-64.6	0	0	0	122.2
279	Q	28.4	Very low	28.4	Very low	133 Å²	133	138.3 Å²	138.3	62%	0.621	75%	0.753	S	S	*	*			cis	-151	146.1	4.6	-142.1	170.5	106.9	0	0	116
280	K	27	Very low	28.6	Very low	183 Å²	183	139.2 Å²	139.2	80%	0.796	75%	0.752	S	S	*	*			trans	64.2	144.9	143.8	-90.4	171.4	-159.9	156.6	0	125.8
281	E	26.5	Very low	28.7	Very low	129 Å²	129	139.4 Å²	139.4	60%	0.603	76%	0.755	S	S	*	*			trans	-98.9	170.2	161.2	-147.8	-164	-109.8	0	0	109.1	K283	E281-K283 IonicContact OE1-NZ 2.67Å; E281-K283 IonicContact OE2-NZ 2.84Å; E281-K283 PolarHBondContact OE2-NZ 3.15Å
282	P	41.1	Very low	28.9	Very low	123 Å²	123	139.8 Å²	139.8	80%	0.799	76%	0.764	S	S	*	*				-155.2	-164.2	86.2	42.2	-20.8	0	0	0	116.7
283	K	28.3	Very low	28.8	Very low	163 Å²	163	140.3 Å²	140.3	71%	0.709	76%	0.763	S	S	*	*			trans	-96.6	178.1	-169	-60.8	165.1	173.3	90.6	0	112.1	E281	E281-K283 IonicContact OE1-NZ 2.67Å; E281-K283 IonicContact OE2-NZ 2.84Å; E281-K283 PolarHBondContact OE2-NZ 3.15Å
284	S	25	Very low	28.7	Very low	106 Å²	106	140.3 Å²	140.3	74%	0.741	77%	0.765	S	S	*	*				-173.9	147.6	54.7	55.9	0	0	0	0	117.7
285	T	26.1	Very low	28.7	Very low	120 Å²	120	142.4 Å²	142.4	74%	0.736	76%	0.759	S	S	*	*			trans	35.1	136.8	134.8	-32.1	0	0	0	0	124.1
286	V	25.4	Very low	28.1	Very low	134 Å²	134	143.6 Å²	143.6	81%	0.812	76%	0.758	S	S	*	*			trans	-160.5	157.3	132.4	150.9	0	0	0	0	108.6
287	N	25.7	Very low	28	Very low	138 Å²	138	145.1 Å²	145.1	74%	0.738	76%	0.756	S	S	*	*			trans	-95.4	-155.7	-175.5	-54.5	-32	0	0	0	113.2
288	T	26.8	Very low	27.6	Very low	101 Å²	101	143.2 Å²	143.2	62%	0.62	76%	0.755	S	S	*	*				-172.7	132.4	51.5	-62.9	0	0	0	0	113
289	E	30.1	Very low	27.5	Very low	172 Å²	172	139.2 Å²	139.2	80%	0.804	75%	0.752	S	S	*	*			trans	51.9	166.7	150.5	-70.8	149.6	-164	0	0	121.4
290	E	28.7	Very low	27.4	Very low	189 Å²	189	140.9 Å²	140.9	88%	0.883	77%	0.765	S	S	*	*			cis	-129.9	-178.3	19.5	-84.3	-168	110.7	0	0	116
291	N	29.7	Very low	27.4	Very low	152 Å²	152	137.4 Å²	137.4	81%	0.813	76%	0.764	S	S	*	*			trans	-104.4	159.2	-165.2	-66	-67.1	0	0	0	116.4
292	A	27.4	Very low	27.4	Very low	107 Å²	107	136.7 Å²	136.7	88%	0.884	77%	0.773	S	S	*	*			trans	-154.2	145	141.6	0	0	0	0	0	110.1
293	Q	28.2	Very low	26.8	Very low	161 Å²	161	137.5 Å²	137.5	75%	0.752	77%	0.769	S	S	*	*			trans	-143.6	143.3	-163.8	179.3	178.6	-5.4	0	0	113.3
294	M	25	Very low	26.7	Very low	175 Å²	175	139.8 Å²	139.8	86%	0.862	78%	0.779	S	S	*	*			trans	-156.4	160	153.6	-116	-58	-168.8	0	0	111.3
295	N	28.8	Very low	26.7	Very low	114 Å²	114	138.6 Å²	138.6	61%	0.61	78%	0.784	S	S	*	*			trans	-107.5	161.6	-159.4	-55.9	-59.8	0	0	0	114.4
296	L	24.3	Very low	26.8	Very low	155 Å²	155	141.5 Å²	141.5	81%	0.812	79%	0.789	S	S	*	*				-170.7	116.2	124.9	-101.4	164.9	0	0	0	113.1
297	I	24.1	Very low	26.7	Very low	142 Å²	142	142.4 Å²	142.4	73%	0.728	79%	0.788	S	S	*	*			trans	26.7	117	138.9	-61	174.8	0	0	0	117.2
298	S	24.4	Very low	26.7	Very low	106 Å²	106	143.6 Å²	143.6	74%	0.741	79%	0.79	S	S	*	*			cis	81	130.4	41.9	-168.5	0	0	0	0	116.1
299	V	25.6	Very low	26.5	Very low	121 Å²	121	145.1 Å²	145.1	73%	0.733	79%	0.793	S	S	*	*				167.4	136.5	126.3	155.2	0	0	0	0	111
300	N	26.4	Very low	26.3	Very low	167 Å²	167	144.9 Å²	144.9	89%	0.893	79%	0.79	S	S	*	*			trans	-114.8	137.6	167.5	-85.1	-33.8	0	0	0	109.8
301	S	28.6	Very low	26.2	Very low	111 Å²	111	141.6 Å²	141.6	78%	0.776	78%	0.782	S	S	*	*			trans	-176.8	163.4	155.6	70.7	0	0	0	0	109.5
302	S	25.9	Very low	26	Very low	113 Å²	113	140.5 Å²	140.5	79%	0.79	78%	0.777	S	S	*	*			cis	-152.3	-179.2	-4.4	-143.5	0	0	0	0	114
303	I	28.8	Very low	26.1	Very low	140 Å²	140	141.2 Å²	141.2	72%	0.718	77%	0.77	S	S	*	*			trans	-85.9	150.3	-171.1	-71.2	161.2	0	0	0	113.8
304	K	25.9	Very low	26	Very low	212 Å²	212	142.8 Å²	142.8	92%	0.922	77%	0.774	S	S	*	*			trans	64.7	138	160.5	-79.6	169.1	-177.7	180	0	120.3
305	G	24.4	Very low	26.3	Very low	81 Å²	81	138.3 Å²	138.3	84%	0.835	77%	0.765	S	S	*	*			trans	176.1	113.6	160.3	0	0	0	0	0	110.7
306	Q	29.4	Very low	26.3	Very low	181 Å²	181	138.7 Å²	138.7	85%	0.846	77%	0.767	S	S	*	*			trans	-146.6	156.3	-177.2	-160.5	-176.2	3.9	0	0	109.8
307	L	23	Very low	26.7	Very low	152 Å²	152	139.9 Å²	139.9	80%	0.796	76%	0.761	S	S	*	*			trans	67.4	162.3	-170.6	-70	88.4	0	0	0	114.4
308	Q	24.9	Very low	27.2	Very low	164 Å²	164	139.1 Å²	139.1	77%	0.766	75%	0.754	S	S	*	*			cis	-170.7	164.2	-49.7	-134.6	-155.7	52.3	0	0	108.3
309	L	22.8	Very low	27.4	Very low	133 Å²	133	139.8 Å²	139.8	70%	0.696	75%	0.75	S	S	*	*			trans	86.4	136.1	147.7	-157.3	66.6	0	0	0	121.3
310	K	24.8	Very low	27.6	Very low	167 Å²	167	141.2 Å²	141.2	73%	0.726	75%	0.751	S	S	*	*			trans	86.4	97.6	151.5	-97.3	165.2	-174.7	178.9	0	122.7
311	T	28.1	Very low	27.8	Very low	119 Å²	119	141.4 Å²	141.4	73%	0.73	74%	0.744	S	S	*	*				70.6	149.8	126	51.3	0	0	0	0	119.7
312	N	25.3	Very low	27.7	Very low	130 Å²	130	144.5 Å²	144.5	70%	0.695	75%	0.746	S	S	*	*			cis	-160.2	141	28.8	-138.2	-3.9	0	0	0	114.9
313	T	29.3	Very low	27.8	Very low	122 Å²	122	143.7 Å²	143.7	75%	0.748	74%	0.74	S	S	*	*			trans	57.8	157.8	158.9	42.9	0	0	0	0	119.9
314	K	27	Very low	27.8	Very low	193 Å²	193	146.5 Å²	146.5	84%	0.839	75%	0.747	S	S	*	*			cis	-154.9	144.5	14.8	-141.8	172.9	-173.5	179.3	0	112.7
315	A	30.4	Very low	28.5	Very low	81 Å²	81	141.9 Å²	141.9	67%	0.669	74%	0.738	S	S	*	*			trans	47.6	133.2	149.9	0	0	0	0	0	124.1
316	D	28.7	Very low	28.6	Very low	122 Å²	122	144.3 Å²	144.3	65%	0.652	73%	0.732	S	S	*	*			trans	60.5	147.3	141.7	-70.4	10.6	0	0	0	122
317	R	33.7	Very low	28.5	Very low	180 Å²	180	144.7 Å²	144.7	68%	0.679	73%	0.731	S	S	*	*			cis	-169.7	160.8	-14.8	-109.5	180	164.7	107.1	-0.9	107.2
318	H	32.9	Very low	28.7	Very low	127 Å²	127	143.3 Å²	143.3	59%	0.588	73%	0.729	S	S	*	*			cis	-158.2	154.8	-8.2	-131.2	-13.7	0	0	0	110.1
319	N	30.4	Very low	28.8	Very low	120 Å²	120	140.1 Å²	140.1	64%	0.642	73%	0.731	S	S	*	*			trans	32.1	145.2	132.4	-66.6	15	0	0	0	122.7
320	I	28.4	Very low	29.2	Very low	150 Å²	150	143.6 Å²	143.6	77%	0.769	74%	0.74	S	S	*	*			cis	-153.6	159.3	6.3	-127.6	162.4	0	0	0	113.1
321	K	30.5	Very low	30.7	Very low	171 Å²	171	141.2 Å²	141.2	74%	0.743	74%	0.742	S	S	*	*			trans	-110.6	161.1	164.1	-62.7	173.9	-179.2	175.3	0	109.1
322	H	27.1	Very low	30.7	Very low	176 Å²	176	140.9 Å²	140.9	82%	0.815	74%	0.744	S	S	*	*				173.2	173.4	110.3	-102.5	-83.1	0	0	0	113.5
323	C	27.2	Very low	30.7	Very low	97 Å²	97	140.9 Å²	140.9	66%	0.655	75%	0.749	S	S	*	*			trans	-120.1	155.8	-178.9	-50.8	0	0	0	0	111.1
324	F	30.4	Very low	30.6	Very low	199 Å²	199	140.3 Å²	140.3	87%	0.873	75%	0.75	S	S	*	*			trans	69.3	154.2	157.3	-68.9	-53.1	0	0	0	116.7
325	P	40.3	Very low	30.5	Very low	114 Å²	114	138.9 Å²	138.9	74%	0.74	75%	0.749	S	S	*	*			cis	-140.5	-171.8	42.7	41.7	-20.7	0	0	0	119.2
326	L	25.3	Very low	30.3	Very low	133 Å²	133	142.4 Å²	142.4	70%	0.696	75%	0.751	S	S	*	*			trans	-21.3	151.3	168.2	-71.3	65.1	0	0	0	116.9
327	F	27.6	Very low	30.4	Very low	189 Å²	189	143.6 Å²	143.6	83%	0.829	75%	0.753	S	S	*	*				-159.5	-175.3	65.7	-112.2	-84.5	0	0	0	116.4
328	T	27	Very low	30	Very low	122 Å²	122	142 Å²	142	75%	0.748	76%	0.757	S	S	*	*			trans	-76.2	148.9	-169.4	51.3	0	0	0	0	117.4
329	A	28.2	Very low	29.7	Very low	98 Å²	98	141.2 Å²	141.2	81%	0.81	77%	0.766	S	S	*	*			trans	-175.5	168.9	132.3	0	0	0	0	0	112.8
330	K	30.8	Very low	29.6	Very low	205 Å²	205	140.4 Å²	140.4	89%	0.891	77%	0.769	S	S	*	*			trans	-120.3	-160.6	166.2	-56.5	-175	174.6	-179.6	0	110.2
331	P	56.4	Low	30.3	Very low	118 Å²	118	138.3 Å²	138.3	77%	0.766	77%	0.765	S	S	*	*				-131.3	164.9	-111.2	39.8	-19.4	0	0	0	117.2
332	S	27.5	Very low	30.1	Very low	112 Å²	112	136 Å²	136	78%	0.783	77%	0.766	S	S	*	*			trans	-160.3	143.8	159.7	33	0	0	0	0	108.5
333	T	26.3	Very low	30.1	Very low	130 Å²	130	133.9 Å²	133.9	80%	0.798	77%	0.765	S	S	*	*			cis	101.2	145.5	41.6	-55.8	0	0	0	0	111
334	S	25.6	Very low	30.1	Very low	109 Å²	109	136.3 Å²	136.3	76%	0.762	77%	0.772	S	S	*	*			trans	65.7	128.9	-171.2	21.7	0	0	0	0	114.9
335	M	25.6	Very low	31.6	Very low	164 Å²	164	132.4 Å²	132.4	81%	0.808	77%	0.766	S	S	*	*			cis	88	146.9	25.9	-160.9	-177.9	157.9	0	0	113.9
336	E	26.6	Very low	31.9	Very low	154 Å²	154	132.2 Å²	132.2	72%	0.72	77%	0.765	S	S	*	*			trans	72.8	147.8	178	-69.4	-173.3	159.3	0	0	117.3
337	Q	30.6	Very low	32.2	Very low	148 Å²	148	133.9 Å²	133.9	69%	0.692	77%	0.774	S	S	*	*			cis	-160.9	-179.3	-35.1	-126.6	-176.7	18.3	0	0	109.8
338	L	25.3	Very low	32.3	Very low	145 Å²	145	129.2 Å²	129.2	76%	0.759	77%	0.765	S	S	*	*			trans	-3.5	140.4	150.9	-58.8	164.5	0	0	0	116.7
339	S	26.3	Very low	32.4	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	76%	0.764	S	S	*	*			cis	-167.3	172.7	43.1	43.8	0	0	0	0	114.6
340	S	27.8	Very low	32.7	Very low	103 Å²	103	133.2 Å²	133.2	72%	0.72	76%	0.76	S	S	*	*			trans	-68.1	-176.7	165	55.1	0	0	0	0	111.6
341	P	43.2	Very low	32.7	Very low	106 Å²	106	133.2 Å²	133.2	69%	0.688	76%	0.76	S	S	*	*			cis	-157.3	-176.2	28.2	49.3	-27.5	0	0	0	120.8
342	T	26.2	Very low	31.6	Very low	123 Å²	123	136.4 Å²	136.4	76%	0.755	77%	0.765	S	S	*	*			trans	50.4	127.7	149	-44.1	0	0	0	0	122.1
343	V	28.2	Very low	31.6	Very low	131 Å²	131	142.5 Å²	142.5	79%	0.794	77%	0.77	S	S	*	*				170.5	145.3	119.5	155.6	0	0	0	0	109.9
344	N	27.4	Very low	31.9	Very low	149 Å²	149	145.6 Å²	145.6	80%	0.797	77%	0.773	S	S	*	*			trans	-98.4	-159.4	-179.8	-61.5	-46.2	0	0	0	112.4
345	P	61.6	Low	32.1	Very low	117 Å²	117	144.9 Å²	144.9	76%	0.76	77%	0.768	S	S	*	*				-109.2	-166.3	-120.6	37.1	-16.3	0	0	0	112.8
346	P	46.6	Very low	32.2	Very low	110 Å²	110	146 Å²	146	71%	0.714	77%	0.771	S	S	*	*				-155.1	172.1	93	40.7	-22.1	0	0	0	117
347	L	30.9	Very low	32.5	Very low	167 Å²	167	147.2 Å²	147.2	87%	0.874	78%	0.777	S	S	*	*			trans	35.3	148.6	138.6	-58.4	165.8	0	0	0	120.5
348	S	29.2	Very low	32.4	Very low	92 Å²	92	150.7 Å²	150.7	64%	0.643	79%	0.79	S	S	*	*			cis	-176	170.4	42.7	75	0	0	0	0	114.4
349	M	29.4	Very low	32.7	Very low	150 Å²	150	148.2 Å²	148.2	74%	0.739	79%	0.79	S	S	*	*			trans	64.4	166.7	152	-63.7	-65	98.4	0	0	120.9
350	Q	34.3	Very low	32.8	Very low	153 Å²	153	151.3 Å²	151.3	72%	0.715	80%	0.797	S	S	*	*			cis	176.4	132	-47.2	176	-170.1	78.9	0	0	109.8
351	K	30.7	Very low	33	Very low	206 Å²	206	153 Å²	153	90%	0.896	80%	0.798	S	S	*	*			trans	-172	159.5	142.4	-111.8	162.6	-174.6	170.6	0	114.7
352	Q	34	Very low	32.3	Very low	185 Å²	185	155.1 Å²	155.1	86%	0.864	80%	0.804	S	S	*	*			trans	-132.1	159	-177.8	-61.3	174.9	-45.9	0	0	112
353	R	26.9	Very low	32.7	Very low	239 Å²	239	157.7 Å²	157.7	90%	0.902	81%	0.805	S	S	*	*			trans	-175.5	129.7	137.1	-98.7	165.4	-170.3	-152	1.7	106.2
354	K	33.1	Very low	32.8	Very low	196 Å²	196	157.3 Å²	157.3	85%	0.852	81%	0.807	S	S	*	*				53.2	131.7	65.6	-77	-162.6	175.2	-170.3	0	112.9
355	S	29.9	Very low	32.9	Very low	94 Å²	94	159.5 Å²	159.5	66%	0.657	81%	0.81	S	S	*	*			cis	-160.1	168.4	-8.3	30.4	0	0	0	0	107.2
356	E	28.8	Very low	31.3	Very low	186 Å²	186	159.1 Å²	159.1	87%	0.869	81%	0.81	S	S	*	*				-178.8	178.8	81	-85.8	-179.1	168.5	0	0	111.2
357	Q	31.9	Very low	30.5	Very low	181 Å²	181	160 Å²	160	85%	0.846	82%	0.819	S	S	*	*			trans	-110.8	154.8	-176.8	-60.9	161.8	-98.4	0	0	111.9
358	F	28.5	Very low	30.6	Very low	220 Å²	220	156.3 Å²	156.3	97%	0.965	81%	0.813	S	S	*	*			trans	-148.3	153.7	135.9	-103	-73.4	0	0	0	109.9
359	A	31	Very low	30.6	Very low	93 Å²	93	159.3 Å²	159.3	77%	0.769	82%	0.82	S	S	*	*			trans	-144.5	152.1	-176.2	0	0	0	0	0	111
360	L	29.8	Very low	30.6	Very low	177 Å²	177	158.9 Å²	158.9	93%	0.927	82%	0.821	S	S	*	*			trans	-146.7	140.1	164.5	-105.3	169.4	0	0	0	109.7
361	N	31.2	Very low	30.5	Very low	138 Å²	138	155.8 Å²	155.8	74%	0.738	82%	0.817	S	S	*	*			trans	-90.8	157	170.3	-77.8	-53.7	0	0	0	109.2
362	D	29.2	Very low	30.5	Very low	151 Å²	151	152.8 Å²	152.8	81%	0.807	81%	0.81	S	S	*	*				-158.2	173.5	102.1	-129.6	-38.5	0	0	0	114.1
363	K	33.1	Very low	30.4	Very low	177 Å²	177	152.6 Å²	152.6	77%	0.77	81%	0.814	S	S	*	*			trans	-109.2	147.3	-160.6	-56.1	152	-177.1	160.1	0	113.2
364	S	30.9	Very low	30.5	Very low	122 Å²	122	147.6 Å²	147.6	85%	0.853	81%	0.81	S	S	*	*			trans	-152.3	141.6	138.9	50.3	0	0	0	0	113.7
365	K	29.7	Very low	30.2	Very low	196 Å²	196	145.7 Å²	145.7	85%	0.852	81%	0.808	S	S	*	*			trans	-60.9	135.5	-179.2	-66.4	164.5	-175.7	176.5	0	110.4
366	S	28.3	Very low	30.2	Very low	109 Å²	109	146.9 Å²	146.9	76%	0.762	81%	0.811	S	S	*	*			cis	79.8	108.6	47.8	83.4	0	0	0	0	115.4
367	S	29.6	Very low	30.1	Very low	127 Å²	127	142.9 Å²	142.9	89%	0.888	80%	0.804	S	S	*	*			trans	-152.3	141.1	150	58.6	0	0	0	0	108.6
368	A	32.5	Very low	30.1	Very low	91 Å²	91	140.4 Å²	140.4	75%	0.752	80%	0.801	S	S	*	*			trans	-141.7	151.9	-173.9	0	0	0	0	0	111.7
369	L	30.6	Very low	30.3	Very low	154 Å²	154	136.5 Å²	136.5	81%	0.806	80%	0.796	S	S	*	*			trans	-166.6	121.9	146.2	-118.4	71	0	0	0	104.8
370	N	28.6	Very low	30.2	Very low	142 Å²	142	139.8 Å²	139.8	76%	0.759	80%	0.799	S	S	*	*				61.7	131.4	92.3	-65.7	-7.6	0	0	0	113.9
371	S	32	Very low	30.5	Very low	88 Å²	88	136.9 Å²	136.9	62%	0.615	79%	0.791	S	S	*	*			cis	-168	177.2	3.4	49.6	0	0	0	0	112.5
372	N	30.5	Very low	30.4	Very low	143 Å²	143	135.7 Å²	135.7	77%	0.765	79%	0.793	S	S	*	*			trans	70.9	91.6	156.1	-56.3	-20.9	0	0	0	119.5
373	L	32.4	Very low	30.4	Very low	181 Å²	181	134.8 Å²	134.8	95%	0.948	79%	0.793	S	S	*	*				-139.9	146	127.2	-81.4	-172.8	0	0	0	109.6
374	V	28.7	Very low	30.1	Very low	134 Å²	134	133.9 Å²	133.9	81%	0.812	80%	0.796	S	S	*	*			trans	-95.8	134.3	-174.7	177.8	0	0	0	0	110.4	V376	V374-V376 HydrophobicContact CG1-CG2 4.15Å
375	L	27.8	Very low	30	Very low	156 Å²	156	134.2 Å²	134.2	82%	0.817	79%	0.793	S	S	*	*			trans	-110.3	114.4	177.8	-127.7	165.1	0	0	0	109.1
376	V	29.7	Very low	30.1	Very low	118 Å²	118	130.9 Å²	130.9	72%	0.715	79%	0.788	S	S	*	*			trans	-106.8	114.5	175.7	-179.5	0	0	0	0	108.9	V374	V374-V376 HydrophobicContact CG1-CG2 4.15Å
377	S	26.8	Very low	30.7	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	79%	0.789	S	S	*	*			trans	-113.2	120	175.3	-65.6	0	0	0	0	110
378	T	31.3	Very low	30.7	Very low	128 Å²	128	133.4 Å²	133.4	79%	0.785	79%	0.79	S	S	*	*			trans	-132	93	171.5	51.6	0	0	0	0	110.5
379	T	32.2	Very low	30.5	Very low	138 Å²	138	132.5 Å²	132.5	85%	0.847	79%	0.789	S	S	*	*			trans	-85.8	139.3	166.7	42.9	0	0	0	0	110.3
380	I	30.1	Very low	30.3	Very low	162 Å²	162	129 Å²	129	83%	0.831	79%	0.79	S	S	*	*			trans	-134.1	133.8	164.1	-63.1	-175.6	0	0	0	108
381	P	34.5	Very low	30.6	Very low	117 Å²	117	129.7 Å²	129.7	76%	0.76	80%	0.8	S	S	*	*			trans	-107.2	154	-172.2	39.2	-34.2	0	0	0	115
382	S	30.8	Very low	30.4	Very low	112 Å²	112	128.8 Å²	128.8	78%	0.783	80%	0.804	S	S	*	*			trans	-162.2	95.4	160.3	55	0	0	0	0	108.9
383	V	28.4	Very low	30.9	Very low	133 Å²	133	127.9 Å²	127.9	81%	0.806	81%	0.807	S	S	*	*				75.3	113.5	88	171.7	0	0	0	0	113.2
384	N	26.7	Very low	30.8	Very low	157 Å²	157	123.7 Å²	123.7	84%	0.84	79%	0.793	S	S	*	*			trans	-83.1	145.8	170	-71.3	-26.9	0	0	0	111.1
385	V	29.4	Very low	31	Very low	129 Å²	129	126.2 Å²	126.2	78%	0.782	79%	0.793	S	S	*	*			trans	-135.9	135.9	156.9	179.4	0	0	0	0	108.5
386	V	31.8	Very low	31.1	Very low	126 Å²	126	125.7 Å²	125.7	76%	0.764	79%	0.791	S	S	*	*			trans	-124.3	134.5	177.4	172	0	0	0	0	108.7
387	P	40.2	Very low	31.2	Very low	120 Å²	120	125.8 Å²	125.8	78%	0.779	80%	0.796	S	S	*	*			trans	-99.7	148.6	153.2	-6.9	26.9	0	0	0	111.5
388	D	28.7	Very low	31.6	Very low	170 Å²	170	128.3 Å²	128.3	91%	0.909	80%	0.801	S	S	*	*			trans	-93.5	163.1	-177.5	-178.5	30.2	0	0	0	112.8
389	G	29.9	Very low	32	Very low	71 Å²	71	128 Å²	128	73%	0.732	80%	0.801	S	S	*	*			trans	108.1	107.3	159.5	0	0	0	0	0	117.1
390	G	26.1	Very low	32.1	Very low	80 Å²	80	129.6 Å²	129.6	83%	0.825	80%	0.801	S	S	*	*			trans	150.8	88.9	161.9	0	0	0	0	0	115.7	G392	G390-G392 PolarHBondContact O-N 2.94Å
391	V	34.6	Very low	32.5	Very low	158 Å²	158	130.7 Å²	130.7	96%	0.958	81%	0.807	S	S	*	*			trans	-76.3	122.1	176.9	177.5	0	0	0	0	111.3
392	G	28.4	Very low	32.5	Very low	68 Å²	68	129.2 Å²	129.2	70%	0.701	81%	0.805	S	S	*	*			trans	-147.5	115.4	169.2	0	0	0	0	0	110.7	G390 S394	G390-G392 PolarHBondContact O-N 2.94Å; G392-S394 PolarHBondContact O-N 3.42Å
393	C	41.1	Very low	32.9	Very low	124 Å²	124	132.1 Å²	132.1	84%	0.838	81%	0.806	S	S	*	*			trans	-73	119.8	-172.7	-173	0	0	0	0	112
394	S	29.4	Very low	33.3	Very low	93 Å²	93	136.7 Å²	136.7	65%	0.65	81%	0.809	S	S	*	*			trans	-120.4	143.5	168.6	-176.5	0	0	0	0	109.5	G392 D396	G392-S394 PolarHBondContact O-N 3.42Å; S394-D396 PolarHBondContact O-N 2.98Å
395	F	32.4	Very low	33.5	Very low	187 Å²	187	138.4 Å²	138.4	82%	0.82	81%	0.812	S	S	*	*			trans	-87.9	97.2	175.8	-97	-94.3	0	0	0	110.4	C397	F395-C397 PolarHBondContact O-N 2.79Å
396	D	29.6	Very low	33.7	Very low	145 Å²	145	139.3 Å²	139.3	78%	0.775	81%	0.812	S	S	*	*			trans	-66.7	126.9	171.7	-71.9	-43.4	0	0	0	111.3	S394	S394-D396 PolarHBondContact O-N 2.98Å
397	C	33.8	Very low	33.7	Very low	120 Å²	120	139 Å²	139	81%	0.811	81%	0.811	S	S	*	*			trans	-117.6	39.5	-176.9	-79	0	0	0	0	113.1	F395	F395-C397 PolarHBondContact O-N 2.79Å
398	L	35	Very low	33	Very low	156 Å²	156	139 Å²	139	82%	0.817	81%	0.809	S	S	*	*			trans	-138.7	134.6	160.2	-71.6	178.9	0	0	0	106.6
399	P	39.7	Very low	33	Very low	121 Å²	121	138.2 Å²	138.2	79%	0.786	80%	0.803	S	S	*	*				-138.8	146.9	57.1	38	-22.3	0	0	0	116
400	M	33.8	Very low	33.1	Very low	172 Å²	172	142 Å²	142	85%	0.847	81%	0.806	S	S	*	*			trans	-161.5	51.9	157.4	-87.4	-129.1	78.1	0	0	111.4
401	L	39.2	Very low	33.3	Very low	186 Å²	186	144.1 Å²	144.1	97%	0.974	81%	0.805	S	S	*	*			trans	-141.2	55	164.6	-77.5	-177.6	0	0	0	110.2
402	A	34.5	Very low	33	Very low	86 Å²	86	141.2 Å²	141.2	71%	0.711	80%	0.798	S	S	*	*			trans	-113.4	152.5	155.7	0	0	0	0	0	107.1
403	E	37.8	Very low	33.2	Very low	173 Å²	173	143.8 Å²	143.8	81%	0.808	81%	0.805	S	S	*	*			trans	64.4	99.5	-173.8	-57	179.8	-165.3	0	0	114.7
404	W	37.2	Very low	32.6	Very low	228 Å²	228	146.6 Å²	146.6	86%	0.864	81%	0.806	S	S	*	*				-176.8	98.4	109.6	-78	-15.7	0	0	0	109.5
405	E	30.9	Very low	32.6	Very low	193 Å²	193	147 Å²	147	90%	0.902	82%	0.815	S	S	*	*			trans	-98.6	96.2	163.1	-69	-173.3	133.6	0	0	108.2	V407	E405-V407 PolarHBondContact O-N 3.09Å
406	D	32.7	Very low	32.5	Very low	148 Å²	148	147 Å²	147	79%	0.791	82%	0.817	S	S	*	*			trans	-77.4	104.1	176.8	-83.2	-40.7	0	0	0	110.7	V408	D406-V408 PolarHBondContact O-N 3Å
407	V	32	Very low	32.4	Very low	121 Å²	121	149.4 Å²	149.4	73%	0.733	82%	0.821	S	S	*	*			trans	-73.9	109.1	173.3	178.4	0	0	0	0	109.8	E405 L409	E405-V407 PolarHBondContact O-N 3.09Å; V407-L409 HydrophobicContact CG1-CD2 4.39Å; V407-L409 HydrophobicContact CG1-CG 4.41Å; V407-L409 PolarHBondContact O-N 3.35Å; V407-L409 VanDerWaalsContact O-N 3.13Å
408	V	26.5	Very low	32.1	Very low	120 Å²	120	150.2 Å²	150.2	73%	0.727	82%	0.817	S	S	*	*			trans	-76.9	98.5	175.5	-178.6	0	0	0	0	110.3	D406 L410	D406-V408 PolarHBondContact O-N 3Å; V408-L410 HydrophobicContact CG1-CD2 4.04Å; V408-L410 HydrophobicContact CG1-CG 4.35Å
409	L	29.3	Very low	31.8	Very low	153 Å²	153	150.7 Å²	150.7	80%	0.801	81%	0.813	S	S	*	*			trans	-81.8	113.6	165.8	-67.2	175.6	0	0	0	109.8	V407	V407-L409 HydrophobicContact CG1-CD2 4.39Å; V407-L409 HydrophobicContact CG1-CG 4.41Å; V407-L409 PolarHBondContact O-N 3.35Å; V407-L409 VanDerWaalsContact O-N 3.13Å
410	L	30.3	Very low	31.2	Very low	151 Å²	151	151.7 Å²	151.7	79%	0.791	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-84.8	127.5	173.4	-66.1	175.2	0	0	0	110.5	V408	V408-L410 HydrophobicContact CG1-CD2 4.04Å; V408-L410 HydrophobicContact CG1-CG 4.35Å
411	P	31.8	Very low	31	Very low	123 Å²	123	148.9 Å²	148.9	80%	0.799	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-68.5	133.4	168.3	-17.1	31.3	0	0	0	110.9	S413	P411-S413 PolarHBondContact O-N 3.33Å
412	A	27.6	Very low	30.5	Very low	97 Å²	97	146.6 Å²	146.6	80%	0.802	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-73.8	120.3	171.4	0	0	0	0	0	110.3	Q414	A412-Q414 PolarHBondContact O-N 3.29Å
413	S	33	Very low	30.8	Very low	122 Å²	122	147.9 Å²	147.9	85%	0.853	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.1	117.4	172.2	54.5	0	0	0	0	110.4	P411	P411-S413 PolarHBondContact O-N 3.33Å
414	Q	28.5	Very low	30.4	Very low	183 Å²	183	145.2 Å²	145.2	86%	0.855	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71	153.7	172.6	-65.2	-170.2	-4.4	0	0	111.2	A412	A412-Q414 PolarHBondContact O-N 3.29Å
415	A	29.8	Very low	30	Very low	103 Å²	103	141.6 Å²	141.6	85%	0.851	80%	0.8	S	S	*	*			trans	-101.8	111.4	171.4	0	0	0	0	0	109.4
416	E	29.9	Very low	30.1	Very low	185 Å²	185	136.9 Å²	136.9	86%	0.864	79%	0.788	S	S	*	*			trans	-89.2	143.8	165.9	-68.9	-167.7	137	0	0	110.5
417	K	27.5	Very low	30.1	Very low	196 Å²	196	136.1 Å²	136.1	85%	0.852	78%	0.784	S	S	*	*			trans	-99.9	150.5	164.2	-59.4	172.1	179.5	175.4	0	107.2
418	D	27	Very low	30.1	Very low	137 Å²	137	136.2 Å²	136.2	73%	0.733	79%	0.785	S	S	*	*				-151.2	-176.2	121.2	-129.7	-32.5	0	0	0	112.1
419	K	29.4	Very low	30.3	Very low	166 Å²	166	136.8 Å²	136.8	72%	0.722	78%	0.784	S	S	*	*			trans	-86.6	-179.3	-164.9	-55	152.9	-168.3	153.8	0	110.8
420	D	27.3	Very low	30.4	Very low	143 Å²	143	136.3 Å²	136.3	77%	0.765	79%	0.787	S	S	*	*			cis	-164.9	164.8	47.9	-112.6	-39.9	0	0	0	116.8
421	S	28.1	Very low	30.3	Very low	113 Å²	113	135.7 Å²	135.7	79%	0.79	79%	0.785	S	S	*	*			trans	78.8	154.6	157.3	71.9	0	0	0	0	121.4
422	V	30.3	Very low	30.3	Very low	137 Å²	137	136 Å²	136	83%	0.83	78%	0.784	S	S	*	*			trans	-161.2	159.4	-155.9	153.4	0	0	0	0	105.2
423	P	40.9	Very low	30.3	Very low	114 Å²	114	136.1 Å²	136.1	74%	0.74	78%	0.779	S	S	*	*			cis	-129.8	-177.6	13.2	28.6	-5.1	0	0	0	116.1
424	S	28.1	Very low	30	Very low	117 Å²	117	139.3 Å²	139.3	82%	0.818	78%	0.778	S	S	*	*			trans	-94.4	164.3	157.3	51.6	0	0	0	0	112.1
425	I	30	Very low	30	Very low	151 Å²	151	137.6 Å²	137.6	77%	0.774	78%	0.775	S	S	*	*			trans	-133.3	147.1	178.7	-73.7	177.4	0	0	0	109.5
426	S	32.9	Very low	30	Very low	94 Å²	94	138 Å²	138	66%	0.657	77%	0.772	S	S	*	*			trans	-14.3	148.6	170	62.4	0	0	0	0	119
427	D	31.3	Very low	29.9	Very low	132 Å²	132	132.3 Å²	132.3	71%	0.706	76%	0.763	S	S	*	*			cis	-152.8	-149.1	8.2	-132.8	53.6	0	0	0	110.1
428	T	31.7	Very low	30	Very low	124 Å²	124	130.6 Å²	130.6	76%	0.761	76%	0.758	S	S	*	*			cis	-156.8	167.6	14.3	-25.4	0	0	0	0	112
429	N	30.6	Very low	30.1	Very low	132 Å²	132	133.6 Å²	133.6	71%	0.706	76%	0.759	S	S	*	*			trans	-64.4	157.5	173.9	-54.6	-57.2	0	0	0	116
430	V	32.9	Very low	30	Very low	143 Å²	143	131.7 Å²	131.7	87%	0.867	76%	0.761	S	S	*	*				-177.1	143.2	108.1	150.7	0	0	0	0	111.2
431	D	28	Very low	30.1	Very low	138 Å²	138	133.1 Å²	133.1	74%	0.738	77%	0.765	S	S	*	*			trans	-96.4	172.8	-171.7	-77.8	-68.5	0	0	0	116.3
432	T	31.3	Very low	30	Very low	128 Å²	128	131.8 Å²	131.8	79%	0.785	76%	0.761	S	S	*	*			trans	69	156.4	156.1	36.1	0	0	0	0	118.6
433	S	27.6	Very low	29.9	Very low	100 Å²	100	130.3 Å²	130.3	70%	0.699	76%	0.757	S	S	*	*			cis	-151.2	134.4	2.2	32.8	0	0	0	0	109.6
434	F	26.1	Very low	29.4	Very low	190 Å²	190	134.9 Å²	134.9	83%	0.833	77%	0.765	S	S	*	*				68.9	151	97.1	-89.4	-80.8	0	0	0	119.4
435	N	28.8	Very low	29.6	Very low	147 Å²	147	137.5 Å²	137.5	79%	0.786	76%	0.764	S	S	*	*			trans	78.3	144.4	167.3	-68.9	-11.6	0	0	0	118.9
436	S	30	Very low	30.4	Very low	111 Å²	111	136 Å²	136	78%	0.776	76%	0.764	S	S	*	*			cis	-168.9	160.4	-7.4	45.4	0	0	0	0	113
437	G	27.5	Very low	30.3	Very low	66 Å²	66	139.2 Å²	139.2	68%	0.68	77%	0.769	S	S	*	*			trans	103.1	130.9	167.1	0	0	0	0	0	114
438	E	29.4	Very low	30.3	Very low	160 Å²	160	139.6 Å²	139.6	75%	0.748	77%	0.769	S	S	*	*				71.1	136.5	52.5	-69.1	-144.2	102.4	0	0	114.1
439	R	29.6	Very low	30.2	Very low	199 Å²	199	141.3 Å²	141.3	75%	0.751	77%	0.772	S	S	*	*			cis	-163.5	119	-2.9	162.6	-173.2	-73	-138.5	2.6	111.3
440	V	27.3	Very low	30.1	Very low	126 Å²	126	140.2 Å²	140.2	76%	0.764	78%	0.775	S	S	*	*				49.2	146.8	129.4	177.4	0	0	0	0	122.2
441	M	29	Very low	29.9	Very low	174 Å²	174	144 Å²	144	86%	0.857	78%	0.775	S	S	*	*			trans	78.1	148.6	165.2	-78.3	-92.4	-85.1	0	0	117.5
442	A	26.8	Very low	30.2	Very low	84 Å²	84	146.1 Å²	146.1	69%	0.694	78%	0.781	S	S	*	*			cis	-146.1	174.4	-1.6	0	0	0	0	0	112.4
443	S	29	Very low	30.3	Very low	107 Å²	107	147.4 Å²	147.4	75%	0.748	78%	0.783	S	S	*	*			trans	-96.6	157.3	179.8	51.8	0	0	0	0	114.5
444	K	29.1	Very low	30.5	Very low	209 Å²	209	152.6 Å²	152.6	91%	0.909	79%	0.793	S	S	*	*				176.7	160.7	123.6	-99.1	179.7	179.2	-170.9	0	114.8
445	E	32.9	Very low	30.8	Very low	173 Å²	173	152 Å²	152	81%	0.808	79%	0.793	S	S	*	*			trans	-120.8	157.6	171.4	178.1	177.2	-144.3	0	0	108.4
446	P	46.3	Very low	30.8	Very low	119 Å²	119	151.2 Å²	151.2	77%	0.773	79%	0.789	S	S	*	*			trans	-152.4	128.4	133.3	34.8	-15.6	0	0	0	118.2
447	E	30.4	Very low	31.1	Very low	161 Å²	161	152.5 Å²	152.5	75%	0.752	79%	0.786	S	S	*	*				38.1	125.9	121.6	-65.9	-166.9	139	0	0	126.8
448	I	31.2	Very low	31.2	Very low	141 Å²	141	157.6 Å²	157.6	72%	0.723	79%	0.79	S	S	*	*				76	162.9	124.1	-58.1	169.1	0	0	0	120.6
449	I	30.6	Very low	31.2	Very low	159 Å²	159	157.5 Å²	157.5	82%	0.815	79%	0.789	S	S	*	*			trans	99.5	131.2	176.2	-60.8	178.6	0	0	0	113.9
450	S	28.8	Very low	31.1	Very low	110 Å²	110	154.5 Å²	154.5	77%	0.769	79%	0.793	S	S	*	*			cis	-160.8	-160.5	-11.5	57.1	0	0	0	0	112.9
451	Y	29.2	Very low	31.7	Very low	221 Å²	221	153.7 Å²	153.7	87%	0.867	79%	0.791	S	S	*	*			trans	-95.9	157.9	179.8	-87.7	-115.8	0	0	0	114
452	E	33.6	Very low	31.6	Very low	183 Å²	183	153.4 Å²	153.4	86%	0.855	79%	0.787	S	S	*	*				-172.8	167.1	113.4	-108.1	-179	-165.2	0	0	113.4
453	N	32.3	Very low	31.7	Very low	155 Å²	155	157 Å²	157	83%	0.829	79%	0.794	S	S	*	*			trans	-145.1	141.5	-172.9	-111.6	-1.3	0	0	0	110.3
454	F	31.5	Very low	31.8	Very low	210 Å²	210	161.8 Å²	161.8	92%	0.921	80%	0.802	S	S	*	*			trans	-156.9	154.8	159	-113	-77.1	0	0	0	112.5
455	E	32.9	Very low	31.8	Very low	176 Å²	176	160.5 Å²	160.5	82%	0.822	80%	0.799	S	S	*	*			trans	-89.3	178	-177.3	-60.3	168.4	131.6	0	0	110.6
456	D	30.2	Very low	31.7	Very low	131 Å²	131	158.3 Å²	158.3	70%	0.701	80%	0.798	S	S	*	*			cis	-162.9	167.9	24.4	-166.2	15.3	0	0	0	113.9
457	L	34.7	Very low	31.1	Very low	138 Å²	138	158.5 Å²	158.5	72%	0.723	80%	0.802	S	S	*	*			trans	45.9	110.9	154.7	-88.4	170.4	0	0	0	122.2
458	K	30.3	Very low	31.1	Very low	174 Å²	174	160.4 Å²	160.4	76%	0.757	81%	0.808	S	S	*	*				-170.8	133.1	111.2	-110.6	172.9	175.9	-93.5	0	116.4
459	E	29.5	Very low	31	Very low	158 Å²	158	159 Å²	159	74%	0.738	81%	0.811	S	S	*	*			trans	44.4	129.6	144.8	-65.8	170.9	124.3	0	0	122.8
460	T	27.8	Very low	31	Very low	136 Å²	136	159.2 Å²	159.2	83%	0.834	81%	0.812	S	S	*	*			trans	-76.7	173	174.1	54.2	0	0	0	0	113.5
461	P	38.7	Very low	31	Very low	109 Å²	109	159.5 Å²	159.5	71%	0.708	81%	0.809	S	S	*	*			cis	-143.7	-178.2	17.1	44.9	-26.1	0	0	0	118.5
462	Q	27.3	Very low	30.8	Very low	168 Å²	168	159.4 Å²	159.4	79%	0.785	81%	0.808	S	S	*	*			trans	71.2	103.1	145.3	-169	173.2	8.7	0	0	119.8
463	N	29.8	Very low	30.6	Very low	158 Å²	158	159.3 Å²	159.3	85%	0.845	81%	0.805	S	S	*	*				-162.6	142.5	122.3	-97.2	-37.4	0	0	0	111.6
464	F	30	Very low	30.5	Very low	209 Å²	209	156.8 Å²	156.8	92%	0.917	80%	0.8	S	S	*	*			trans	-125.3	118.1	173.6	-99.5	-85	0	0	0	108
465	E	30.3	Very low	30.6	Very low	181 Å²	181	151 Å²	151	85%	0.846	78%	0.783	S	S	*	*			trans	-156.8	163	163.3	-133.8	-174.6	164.6	0	0	115.1
466	T	30.6	Very low	30.6	Very low	127 Å²	127	151.8 Å²	151.8	78%	0.779	79%	0.787	S	S	*	*			trans	68.7	86.7	170	62	0	0	0	0	118
467	S	32.6	Very low	30.9	Very low	123 Å²	123	151 Å²	151	86%	0.86	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-59.9	143.9	160.3	-58.5	0	0	0	0	112.2	S469	S467-S469 PolarHBondContact O-N 2.87Å
468	K	31.1	Very low	30.8	Very low	201 Å²	201	150.4 Å²	150.4	87%	0.874	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-65.5	126.2	177.5	-60.8	172.7	-177.5	176.2	0	111.3
469	S	28.5	Very low	30.8	Very low	111 Å²	111	149.3 Å²	149.3	78%	0.776	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-87	121.6	169.1	49.5	0	0	0	0	110.7	S467	S467-S469 PolarHBondContact O-N 2.87Å
470	I	31.4	Very low	30.7	Very low	164 Å²	164	152 Å²	152	84%	0.841	80%	0.799	S	S	*	*			trans	-96.2	113.5	175.2	-63.9	177	0	0	0	108.3
471	V	28.2	Very low	30.8	Very low	117 Å²	117	152.3 Å²	152.3	71%	0.709	80%	0.796	S	S	*	*			trans	-92.7	108.1	179.1	179.1	0	0	0	0	109.8
472	Y	25.5	Very low	30.5	Very low	218 Å²	218	153.3 Å²	153.3	86%	0.855	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-78.6	124.8	171	-168.6	-95.9	0	0	0	110.2
473	K	30	Very low	30.5	Very low	182 Å²	182	154.7 Å²	154.7	79%	0.791	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-101.6	124.4	176.6	-70	-177.4	177.9	178.7	0	110.2
474	S	28.7	Very low	30.5	Very low	102 Å²	102	150.8 Å²	150.8	71%	0.713	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-80.3	141.8	163.4	-172.8	0	0	0	0	110.1
475	P	35.6	Very low	30.4	Very low	89 Å²	89	145.8 Å²	145.8	58%	0.578	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-73	169.9	169.9	31.9	-35.3	0	0	0	112.1
476	H	32.7	Very low	30.4	Very low	192 Å²	192	146.9 Å²	146.9	89%	0.889	80%	0.8	S	S	*	*			trans	73.7	86	174	-45.9	-58.2	0	0	0	117.1
477	S	34.7	Very low	30.6	Very low	113 Å²	113	149.8 Å²	149.8	79%	0.79	80%	0.804	S	S	*	*			trans	-131.1	129	149.2	55.9	0	0	0	0	109.7
478	T	32.6	Very low	31.1	Very low	127 Å²	127	150.1 Å²	150.1	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-81.7	127.8	-175.7	-56.1	0	0	0	0	110.7
479	I	30.2	Very low	31	Very low	151 Å²	151	144.1 Å²	144.1	77%	0.774	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-84.8	123.4	-179.3	-59.5	172.6	0	0	0	109.9
480	Y	29.3	Very low	31.3	Very low	213 Å²	213	144.9 Å²	144.9	84%	0.835	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-100.3	134.5	158.1	-81.2	-82.6	0	0	0	109.6
481	N	28.7	Very low	31.2	Very low	143 Å²	143	145 Å²	145	77%	0.765	81%	0.806	S	S	*	*			trans	-107.5	128.5	-166.7	-170.2	-7.3	0	0	0	110.9
482	V	31.7	Very low	31.3	Very low	131 Å²	131	143.6 Å²	143.6	79%	0.794	81%	0.807	S	S	*	*			trans	-115	99.1	-177.3	-177.7	0	0	0	0	110.7
483	K	29.2	Very low	31.6	Very low	196 Å²	196	139.1 Å²	139.1	85%	0.852	81%	0.807	S	S	*	*			trans	-75.2	142.5	148.4	-63.4	175.7	179.1	177.1	0	107.2
484	G	28.5	Very low	31.7	Very low	76 Å²	76	135 Å²	135	78%	0.784	81%	0.807	S	S	*	*			cis	145.7	102.6	0.6	0	0	0	0	0	109.6
485	A	27.9	Very low	31.9	Very low	105 Å²	105	140 Å²	140	87%	0.868	82%	0.816	S	S	*	*			trans	-138.4	159.6	-177.3	0	0	0	0	0	111.2
486	K	30.6	Very low	31.8	Very low	204 Å²	204	145.5 Å²	145.5	89%	0.887	83%	0.831	S	S	*	*			trans	-102.8	146.4	-160.2	-56.4	174.2	-178.5	176.7	0	113.4
487	H	34.6	Very low	31.9	Very low	188 Å²	188	143.7 Å²	143.7	87%	0.87	83%	0.827	S	S	*	*			trans	-75.1	150.5	152.5	-70.2	-71.5	0	0	0	109.7
488	P	43.2	Very low	31.8	Very low	129 Å²	129	144.5 Å²	144.5	84%	0.838	83%	0.829	S	S	*	*				-128.9	179.6	80.9	39.3	-29.1	0	0	0	112.1
489	G	28.1	Very low	31.6	Very low	75 Å²	75	145.8 Å²	145.8	77%	0.773	83%	0.827	S	S	*	*			cis	-168.4	173.9	-2.4	0	0	0	0	0	110
490	S	35.9	Very low	31.5	Very low	127 Å²	127	144.9 Å²	144.9	89%	0.888	83%	0.833	S	S	*	*			trans	-71.4	149.5	-176.2	-52	0	0	0	0	113.9
491	D	29.3	Very low	31.6	Very low	168 Å²	168	142.3 Å²	142.3	90%	0.898	83%	0.825	S	S	*	*				-155.6	167.1	117.2	-138.2	-27.9	0	0	0	112
492	A	30.8	Very low	32	Very low	87 Å²	87	141 Å²	141	72%	0.719	83%	0.825	S	S	*	*			trans	-137.9	126	-170.1	0	0	0	0	0	114.9
493	S	31.5	Very low	31.7	Very low	123 Å²	123	144.8 Å²	144.8	86%	0.86	83%	0.831	S	S	*	*			trans	-170.9	175.8	155	56.9	0	0	0	0	112.9
494	A	32.2	Very low	31.7	Very low	95 Å²	95	141.8 Å²	141.8	79%	0.785	83%	0.829	S	S	*	*			trans	67.4	70.5	162.7	0	0	0	0	0	119.4	K496	A494-K496 PolarHBondContact O-N 2.74Å
495	F	32.3	Very low	31.7	Very low	207 Å²	207	142.7 Å²	142.7	91%	0.908	82%	0.823	S	S	*	*			trans	-67.1	121.7	154.5	-122	-94.8	0	0	0	110.5
496	K	32.8	Very low	31.7	Very low	205 Å²	205	144.6 Å²	144.6	89%	0.891	82%	0.819	S	S	*	*			trans	-147.7	141.8	160.2	-101.1	-178.1	-176.5	176.2	0	111.5	A494	A494-K496 PolarHBondContact O-N 2.74Å
497	L	34.9	Very low	31.8	Very low	155 Å²	155	139.4 Å²	139.4	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-84.6	145.3	-178.7	-66.1	165.7	0	0	0	111.4	E499	L497-E499 PolarHBondContact O-N 2.86Å
498	P	34	Very low	31.5	Very low	129 Å²	129	137.3 Å²	137.3	84%	0.838	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-73.9	120	165.9	-13.5	29.3	0	0	0	111
499	E	28.1	Very low	30.9	Very low	154 Å²	154	138 Å²	138	72%	0.72	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-79.9	146.8	165.8	-77.9	-162.3	152.4	0	0	111.5	L497 K501	L497-E499 PolarHBondContact O-N 2.86Å; E499-K501 IonicContact OE2-NZ 3.53Å; E499-K501 PolarHBondContact OE2-NZ 2.77Å
500	C	27.6	Very low	31.1	Very low	133 Å²	133	138.9 Å²	138.9	90%	0.899	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-96.9	121.5	173.8	-167	0	0	0	0	110.1
501	K	32.2	Very low	30.8	Very low	158 Å²	158	140.2 Å²	140.2	69%	0.687	80%	0.797	S	S	*	*			trans	-134.5	155.9	175.4	-81.7	-174.9	172.4	119.9	0	111.7	E499	E499-K501 IonicContact OE2-NZ 3.53Å; E499-K501 PolarHBondContact OE2-NZ 2.77Å
502	P	35.7	Very low	30.8	Very low	115 Å²	115	136.5 Å²	136.5	75%	0.747	79%	0.789	S	S	*	*			trans	-102.9	172.3	-150.2	39.6	-36.9	0	0	0	114.9
503	F	27.4	Very low	30.8	Very low	211 Å²	211	137.5 Å²	137.5	93%	0.925	79%	0.791	S	S	*	*			trans	-112.4	126.3	168.3	-82	-80	0	0	0	112.9
504	T	27.1	Very low	31.6	Very low	133 Å²	133	136.9 Å²	136.9	82%	0.816	78%	0.784	S	S	*	*			trans	-145.9	158.7	163.1	48.3	0	0	0	0	105.7
505	S	29.8	Very low	31.4	Very low	95 Å²	95	139.5 Å²	139.5	66%	0.664	79%	0.785	S	S	*	*			cis	-153.4	172.6	12.7	52.8	0	0	0	0	111.1
506	N	28.3	Very low	32.5	Very low	145 Å²	145	134.6 Å²	134.6	78%	0.775	77%	0.774	S	S	*	*				-174.2	121.3	118.5	-85.5	-13.3	0	0	0	108.1
507	S	31.1	Very low	32.3	Very low	96 Å²	96	129.7 Å²	129.7	67%	0.671	77%	0.766	S	S	*	*				75.1	126	77.6	-157.6	0	0	0	0	110.8
508	L	29.6	Very low	32.1	Very low	143 Å²	143	128.3 Å²	128.3	75%	0.749	76%	0.763	S	S	*	*			cis	-141.1	157	44.9	-73.9	153	0	0	0	114.8
509	N	30.6	Very low	31.8	Very low	145 Å²	145	128.5 Å²	128.5	78%	0.775	76%	0.756	S	S	*	*			trans	36.4	140.5	141.8	-56	-7.6	0	0	0	121
510	A	31.5	Very low	31.7	Very low	92 Å²	92	130.8 Å²	130.8	76%	0.76	76%	0.759	S	S	*	*			cis	-169.4	-162.2	-10.2	0	0	0	0	0	106.4
511	N	29.4	Very low	31.8	Very low	156 Å²	156	133.2 Å²	133.2	83%	0.834	75%	0.754	S	S	*	*			cis	-159.1	174.9	1.6	-158.1	0.8	0	0	0	110.6
512	A	31.1	Very low	31.9	Very low	89 Å²	89	134.1 Å²	134.1	74%	0.736	76%	0.76	S	S	*	*			trans	60.8	124.5	154.9	0	0	0	0	0	121.3
513	S	29.1	Very low	32.4	Very low	109 Å²	109	133.7 Å²	133.7	76%	0.762	76%	0.758	S	S	*	*			trans	-105.1	-174.7	161.9	62.9	0	0	0	0	109.7
514	P	49	Very low	32.4	Very low	110 Å²	110	130.5 Å²	130.5	71%	0.714	75%	0.75	S	S	*	*			cis	-138.4	175.2	2.4	42.9	-24.3	0	0	0	117.2
515	N	28.3	Very low	32.6	Very low	150 Å²	150	131.1 Å²	131.1	80%	0.802	75%	0.747	S	S	*	*			trans	4.3	162.1	141.9	-76	-9.3	0	0	0	122.1
516	P	54.1	Low	32.6	Very low	103 Å²	103	134.7 Å²	134.7	67%	0.669	76%	0.758	S	S	*	*			cis	-144.8	-176.5	-18.6	37.5	-17	0	0	0	116.7
517	S	29.9	Very low	32.5	Very low	103 Å²	103	131.3 Å²	131.3	72%	0.72	76%	0.758	S	S	*	*			trans	94.4	142.9	134.4	80.8	0	0	0	0	123.4
518	V	29.8	Very low	32.4	Very low	126 Å²	126	130.2 Å²	130.2	76%	0.764	76%	0.761	S	S	*	*			trans	92.8	136.3	130.1	146.2	0	0	0	0	123
519	L	28.4	Very low	32.4	Very low	133 Å²	133	130.8 Å²	130.8	70%	0.696	77%	0.771	S	S	*	*			trans	73.6	110.1	157.5	-107.9	71.5	0	0	0	124.3
520	R	25.8	Very low	32.4	Very low	202 Å²	202	132.5 Å²	132.5	76%	0.762	77%	0.771	S	S	*	*				69.9	150	118.8	-95	-178.1	170.3	161.9	-4.3	124
521	K	28.9	Very low	32.4	Very low	183 Å²	183	139.9 Å²	139.9	80%	0.796	78%	0.779	S	S	*	*			trans	84.6	102.6	142.9	-81	172.9	174.9	-173	0	120.8
522	Q	34.2	Very low	32.4	Very low	177 Å²	177	142.8 Å²	142.8	83%	0.827	78%	0.78	S	S	*	*				-59.4	166.8	126.2	-70.2	179.7	-24.3	0	0	110.2
523	P	46.4	Very low	32.2	Very low	107 Å²	107	144 Å²	144	70%	0.695	78%	0.783	S	S	*	*			cis	-152.4	174.8	31	44.8	-24	0	0	0	120.5
524	L	29.1	Very low	32.1	Very low	144 Å²	144	145 Å²	145	75%	0.754	79%	0.789	S	S	*	*			trans	66.3	132.9	144.2	-75.3	162	0	0	0	123.8
525	L	30.2	Very low	31.4	Very low	146 Å²	146	144.6 Å²	144.6	76%	0.764	79%	0.789	S	S	*	*			trans	69.6	152.4	142.9	-67.3	169.6	0	0	0	118.8
526	L	29.5	Very low	31.9	Very low	169 Å²	169	143.2 Å²	143.2	89%	0.885	79%	0.788	S	S	*	*			cis	-156.5	150.5	-10.8	172.4	66.5	0	0	0	108.7
527	G	26.2	Very low	31.1	Very low	75 Å²	75	144.1 Å²	144.1	77%	0.773	79%	0.794	S	S	*	*			trans	148.9	148.8	166.7	0	0	0	0	0	114.1
528	G	28.7	Very low	31.2	Very low	72 Å²	72	143.9 Å²	143.9	74%	0.742	80%	0.798	S	S	*	*			trans	-169.5	174.1	179.8	0	0	0	0	0	114.6
529	T	30.5	Very low	31.4	Very low	155 Å²	155	147.2 Å²	147.2	95%	0.951	80%	0.803	S	S	*	*			trans	-160	163.1	172.2	-6.4	0	0	0	0	112.6
530	K	30	Very low	32	Very low	182 Å²	182	146.3 Å²	146.3	79%	0.791	81%	0.805	S	S	*	*			trans	-90	153.2	-174.6	-55.9	171.1	-178.3	173.6	0	113
531	R	31.7	Very low	32.5	Very low	246 Å²	246	142.9 Å²	142.9	93%	0.928	81%	0.808	S	S	*	*			trans	-160.8	166.6	132.8	-116.7	170.4	-80.2	-166.6	-1.6	112.4
532	Y	30	Very low	32.7	Very low	217 Å²	217	139 Å²	139	85%	0.851	81%	0.81	S	S	*	*			trans	-94.4	159.6	-159.9	-79.9	-91.7	0	0	0	115.4
533	S	27.2	Very low	32.7	Very low	115 Å²	115	140.6 Å²	140.6	80%	0.804	82%	0.815	S	S	*	*			trans	-88.8	156.5	163.8	52.3	0	0	0	0	111.9
534	C	26.5	Very low	32.3	Very low	130 Å²	130	145.4 Å²	145.4	88%	0.878	83%	0.825	S	S	*	*			trans	-126.6	151.8	176.2	-165.3	0	0	0	0	111.1
535	S	34.3	Very low	32.6	Very low	101 Å²	101	147.6 Å²	147.6	71%	0.706	83%	0.831	S	S	*	*			trans	-127.6	144.1	-172.5	-58.2	0	0	0	0	112
536	P	38.3	Very low	32.9	Very low	122 Å²	122	147.5 Å²	147.5	79%	0.792	84%	0.837	S	S	*	*			trans	-72.7	154.1	172.5	-15.8	31.3	0	0	0	113.2
537	P	37.2	Very low	33.1	Very low	121 Å²	121	147.1 Å²	147.1	79%	0.786	83%	0.828	S	S	*	*			trans	-85.9	167.2	-173	34.9	-37.2	0	0	0	114.8
538	A	32	Very low	33.6	Very low	98 Å²	98	149.5 Å²	149.5	81%	0.81	83%	0.828	S	S	*	*			trans	-109.9	158.7	176.1	0	0	0	0	0	112.4
539	F	34.5	Very low	34.1	Very low	196 Å²	196	151.5 Å²	151.5	86%	0.86	83%	0.825	S	S	*	*			trans	-109.5	152.7	178	-78.9	-85	0	0	0	112.5
540	P	40.8	Very low	34.2	Very low	114 Å²	114	152.1 Å²	152.1	74%	0.74	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-84	162.4	-169.9	33.8	-37.1	0	0	0	114.8
541	P	36.8	Very low	34.5	Very low	130 Å²	130	151 Å²	151	84%	0.844	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-84.4	144.3	-179	33.7	-35.2	0	0	0	113.9
542	A	33.3	Very low	34.5	Very low	101 Å²	101	148.9 Å²	148.9	84%	0.835	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-89.4	151.7	174.9	0	0	0	0	0	113.2
543	K	34.4	Very low	34.7	Very low	212 Å²	212	147.7 Å²	147.7	92%	0.922	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-73.9	155.5	-177.6	-64.5	179	-179.8	177.6	0	112.5
544	K	36.3	Very low	34.8	Very low	207 Å²	207	147.2 Å²	147.2	90%	0.9	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-81.8	146.3	170	-62.6	176.1	-177.5	172.6	0	110.7
545	Q	36.2	Very low	34.8	Very low	191 Å²	191	148.1 Å²	148.1	89%	0.893	81%	0.813	S	S	*	*			trans	-121.7	150.9	157.5	-86.6	-176.4	-30.2	0	0	109.7
546	T	35.8	Very low	34.8	Very low	144 Å²	144	148.7 Å²	148.7	88%	0.883	82%	0.817	S	S	*	*			trans	-83.8	153.7	177.3	-43.9	0	0	0	0	110.1
547	F	33.8	Very low	34.3	Very low	161 Å²	161	148.7 Å²	148.7	71%	0.706	82%	0.82	S	S	*	*			trans	-118.6	145.9	-179.7	58.2	-93.2	0	0	0	111.8	V549	F547-V549 HydrophobicContact CD2-CG2 3.89Å; F547-V549 HydrophobicContact CE2-CG2 4.13Å
548	T	37.9	Very low	33.8	Very low	124 Å²	124	149.2 Å²	149.2	76%	0.761	82%	0.821	S	S	*	*			trans	-107.7	145.4	166.3	-51.8	0	0	0	0	108.2
549	V	38.5	Very low	33.5	Very low	114 Å²	114	150.7 Å²	150.7	69%	0.691	82%	0.824	S	S	*	*			trans	-115	130.7	-178.9	-176.8	0	0	0	0	109.4	F547	F547-V549 HydrophobicContact CD2-CG2 3.89Å; F547-V549 HydrophobicContact CE2-CG2 4.13Å
550	H	32.6	Very low	33.3	Very low	168 Å²	168	146.7 Å²	146.7	78%	0.778	82%	0.821	S	S	*	*			trans	-115.3	144.1	168.2	-69.8	-83.1	0	0	0	110
551	E	37	Very low	33.4	Very low	159 Å²	159	147.7 Å²	147.7	74%	0.743	83%	0.827	S	S	*	*			trans	-105.6	116.9	176.6	178.5	158.3	-128	0	0	109.4	K553 K600	E551-K553 PolarHBondContact O-N 3.34Å; E551-K600 IonicContact OE1-NZ 3.4Å
552	E	31.1	Very low	32.9	Very low	201 Å²	201	145.1 Å²	145.1	94%	0.939	82%	0.824	S	S	*	*			trans	-70.2	98.6	172.2	-72.7	-173.3	134.3	0	0	110
553	K	33.3	Very low	32.7	Very low	192 Å²	192	147.1 Å²	147.1	84%	0.835	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-76.8	126.1	166.7	-170.2	176.5	-177.2	-179.1	0	108.6	E551 T555	E551-K553 PolarHBondContact O-N 3.34Å; K553-T555 PolarHBondContact O-N 2.93Å
554	S	30.9	Very low	32.5	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-57.8	123.4	-178.8	52.5	0	0	0	0	112.2	S556	S554-S556 PolarHBondContact O-N 3.49Å
555	T	26.6	Very low	32.3	Very low	148 Å²	148	136.7 Å²	136.7	91%	0.908	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-70.9	122.8	171.9	35.8	0	0	0	0	110.7	K553	K553-T555 PolarHBondContact O-N 2.93Å
556	S	33.5	Very low	32.1	Very low	114 Å²	114	134.9 Å²	134.9	80%	0.797	80%	0.802	S	S	*	*			trans	-121.8	147.1	164.4	48	0	0	0	0	107.9	S554	S554-S556 PolarHBondContact O-N 3.49Å
557	S	28.3	Very low	31.8	Very low	121 Å²	121	137.2 Å²	137.2	85%	0.846	80%	0.8	S	S	*	*			trans	-70.7	153.1	-166	49.8	0	0	0	0	114.2
558	T	26.6	Very low	31.7	Very low	133 Å²	133	135.9 Å²	135.9	82%	0.816	80%	0.804	S	S	*	*			trans	-67	129.5	-176.9	-28.6	0	0	0	0	113.5
559	C	26	Very low	31.3	Very low	128 Å²	128	137.8 Å²	137.8	87%	0.865	81%	0.809	S	S	*	*			trans	-161.9	140.2	147.1	-102.5	0	0	0	0	110.6
560	S	29.2	Very low	31	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	81%	0.811	S	S	*	*			trans	-158.4	164	-176.1	-63.1	0	0	0	0	109.2
561	P	44.2	Very low	30.7	Very low	135 Å²	135	135.8 Å²	135.8	88%	0.877	82%	0.816	S	S	*	*			cis	-122.5	172.2	-15.8	36.3	-21	0	0	0	113
562	G	25.1	Very low	30.5	Very low	76 Å²	76	135.2 Å²	135.2	78%	0.784	82%	0.817	S	S	*	*			trans	-153.4	143.9	170.4	0	0	0	0	0	111.1
563	T	30.1	Very low	30.3	Very low	142 Å²	142	132.8 Å²	132.8	87%	0.871	81%	0.809	S	S	*	*			trans	-102.3	163	-160.3	-12.7	0	0	0	0	115
564	S	30.4	Very low	29.9	Very low	103 Å²	103	129.1 Å²	129.1	72%	0.72	80%	0.803	S	S	*	*			trans	90	113.8	152.3	76.1	0	0	0	0	121.2
565	S	31.2	Very low	29.6	Very low	98 Å²	98	129.7 Å²	129.7	69%	0.685	81%	0.807	S	S	*	*				65	124.9	128.1	66.7	0	0	0	0	124.2
566	L	32	Very low	29.7	Very low	152 Å²	152	128.6 Å²	128.6	80%	0.796	80%	0.8	S	S	*	*				91.9	138.8	127	-81.1	169.8	0	0	0	122.6
567	K	29.8	Very low	29.7	Very low	194 Å²	194	129.1 Å²	129.1	84%	0.843	80%	0.799	S	S	*	*			trans	86.7	153	152.4	-74	168	-177.5	178.2	0	119.8
568	V	31	Very low	29.6	Very low	132 Å²	132	130.1 Å²	130.1	80%	0.8	80%	0.795	S	S	*	*			trans	-127.3	141.6	-170.3	169	0	0	0	0	107.6
569	L	29	Very low	30.1	Very low	164 Å²	164	131.4 Å²	131.4	86%	0.859	80%	0.795	S	S	*	*			trans	-167	162.2	138.9	-121.5	76.1	0	0	0	108.4
570	P	33.2	Very low	30.2	Very low	113 Å²	113	133.6 Å²	133.6	73%	0.734	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-92	154.9	-169.1	36.3	-34.4	0	0	0	114.1
571	S	27.3	Very low	30.2	Very low	127 Å²	127	132.6 Å²	132.6	89%	0.888	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-85.2	117.4	176.2	-49.3	0	0	0	0	112.4
572	I	31.1	Very low	29.8	Very low	148 Å²	148	131.4 Å²	131.4	76%	0.759	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-102.7	135.6	153.2	-52.1	176.1	0	0	0	106.5
573	L	26.6	Very low	29.9	Very low	149 Å²	149	139.5 Å²	139.5	78%	0.78	79%	0.791	S	S	*	*			trans	155.4	144.6	133.2	-82.6	168.5	0	0	0	114.1
574	T	26.1	Very low	30	Very low	116 Å²	116	142 Å²	142	71%	0.712	79%	0.793	S	S	*	*			trans	42.4	113.9	150	55.5	0	0	0	0	120.7	T576	T574-T576 PolarHBondContact O-N 3.24Å
575	S	24.4	Very low	30.2	Very low	118 Å²	118	140.8 Å²	140.8	83%	0.825	78%	0.784	S	S	*	*			trans	-77.6	105.2	151.3	54.1	0	0	0	0	111
576	T	28.7	Very low	31.2	Very low	124 Å²	124	140.4 Å²	140.4	76%	0.761	80%	0.796	S	S	*	*			trans	-81.5	120.3	165.6	-56.2	0	0	0	0	109.3	T574 N578	T574-T576 PolarHBondContact O-N 3.24Å; T576-N578 PolarHBondContact O-N 3.43Å
577	V	33.5	Very low	32.3	Very low	126 Å²	126	141.6 Å²	141.6	76%	0.764	79%	0.794	S	S	*	*			trans	-73.4	125.2	172.6	178.1	0	0	0	0	108.6	L579	V577-L579 HydrophobicContact CG1-CG 4.43Å
578	N	27	Very low	33.9	Very low	142 Å²	142	134.4 Å²	134.4	76%	0.759	77%	0.765	S	S	*	*			trans	-118.7	119.2	173.2	-164.7	-6.4	0	0	0	109.6	T576	T576-N578 PolarHBondContact O-N 3.43Å
579	L	36	Very low	36.2	Very low	159 Å²	159	132.9 Å²	132.9	83%	0.832	76%	0.756	S	S	*	*			trans	-100.3	93.2	-175.9	-87.6	167.9	0	0	0	110.5	V577	V577-L579 HydrophobicContact CG1-CG 4.43Å
580	Q	28.7	Very low	38.8	Very low	174 Å²	174	126.9 Å²	126.9	81%	0.813	73%	0.727	S	S	*	*			trans	-144.3	132	163.1	-107.4	173.9	-4.5	0	0	111.1
581	A	29.1	Very low	41.3	Very low	92 Å²	92	123 Å²	123	76%	0.76	70%	0.701	S	S	*	*			trans	-111.4	173.7	174.5	0	0	0	0	0	109.4
582	P	34.7	Very low	44.3	Very low	111 Å²	111	121.6 Å²	121.6	72%	0.721	68%	0.683	S	S	*	*			cis	-119.1	152.6	-8.8	36	-22.1	0	0	0	113.1	E584	P582-E584 PolarHBondContact O-N 2.04Å
583	W	27.5	Very low	46.9	Very low	245 Å²	245	115 Å²	115	93%	0.928	65%	0.65	S	S	*	*			trans	-88.3	91.1	-177.8	-68.9	-9.5	0	0	0	114.2	S585	W583-S585 VanDerWaalsContact C-N 3.29Å; W583-S585 PolarHBondContact O-N 3.46Å
584	E	33.5	Very low	49.4	Very low	196 Å²	196	116.8 Å²	116.8	92%	0.916	65%	0.652	S	S	*	*			trans	-70.6	78.5	159.7	-76.2	-106.6	125.2	0	0	111.1	P582	P582-E584 PolarHBondContact O-N 2.04Å
585	S	34.5	Very low	52.1	Low	76 Å²	76	113.8 Å²	113.8	53%	0.531	64%	0.635	S	S	.	*			trans	-154.9	129.5	150.6	65.6	0	0	0	0	112.2	W583 K587	W583-S585 VanDerWaalsContact C-N 3.29Å; W583-S585 PolarHBondContact O-N 3.46Å; S585-K587 PolarHBondContact O-N 2.97Å
586	G	50.9	Low	54.7	Low	90 Å²	90	110.9 Å²	110.9	93%	0.928	62%	0.624	S	S	*	*			trans	-72.2	31.7	-172.3	0	0	0	0	0	116.6	M588	G586-M588 PolarHBondContact O-N 3.18Å
587	K	55	Low	57.3	Low	177 Å²	177	112.6 Å²	112.6	77%	0.77	62%	0.616	S	S	*	*			trans	-74.1	93.3	-176.2	-69.4	176.1	-179.3	170.6	0	110.9	S585 T589	S585-K587 PolarHBondContact O-N 2.97Å; K587-T589 PolarHBondContact O-N 3.47Å
588	M	64.3	Low	59.9	Low	44 Å²	44	113 Å²	113	22%	0.217	60%	0.604	C	S	.	*	P	Polyproline II helix	trans	-57.5	119.8	176.8	-169.5	85.7	84.9	0	0	110.9	G586 P590 Q640	G586-M588 PolarHBondContact O-N 3.18Å; M588-P590 WeakPolarHBondContact O-CD 3.36Å; M588-Q640 HydrophobicContact CE-CB 4.46Å; M588-Q640 HydrophobicContact CE-CG 3.59Å
589	T	79.1	Confident	63	Low	100 Å²	100	106.6 Å²	106.6	61%	0.613	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-62.5	122.3	174.9	-46.2	0	0	0	0	110	K587	K587-T589 PolarHBondContact O-N 3.47Å
590	P	83.2	Confident	65.5	Low	38 Å²	38	104 Å²	104	25%	0.247	55%	0.552	C	S	.	*	P	Polyproline II helix	trans	-61.8	133.6	-177.3	-24.5	33.4	0	0	0	112	M588 R598 S599 Y616	M588-P590 WeakPolarHBondContact O-CD 3.36Å; P590-R598 HydrophobicContact CB-CG 3.94Å; P590-R598 WeakPolarHBondContact O-CG 3.17Å; P590-R598 PolarHBondContact O-NH1 3.25Å; P590-S599 VanDerWaalsContact CB-O 3.3Å; P590-S599 WeakPolarHBondContact CB-O 3.21Å; P590-Y616 HydrophobicContact CB-CD1 3.89Å; P590-Y616 HydrophobicContact CB-CE1 3.61Å; P590-Y616 HydrophobicContact CG-CE1 3.99Å
591	P	86.1	Confident	68.5	Low	30 Å²	30	101.5 Å²	101.5	20%	0.195	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-68.8	163.9	-177.7	28.7	-36	0	0	0	112.5	S599 Y616 Y632 L639	P591-S599 WeakPolarHBondContact CD-OG 3.33Å; P591-S599 VanDerWaalsContact O-CB 3.32Å; P591-S599 WeakPolarHBondContact O-CB 3.17Å; P591-S599 PolarHBondContact O-N 2.83Å; P591-S599 PolarHBondContact O-OG 3.13Å; P591-Y616 HydrophobicContact CG-CD1 4.41Å; P591-Y616 HydrophobicContact CG-CG 4.25Å; P591-Y632 HydrophobicContact CG-CE1 4.34Å; P591-Y632 VanDerWaalsContact CG-OH 3.25Å; P591-Y632 WeakPolarHBondContact CG-OH 3.45Å; P591-L639 HydrophobicContact CG-CD1 3.94Å
592	L	89.3	Confident	71.4	Confident	98 Å²	98	100.2 Å²	100.2	51%	0.513	52%	0.515	S	S	.	.	B	Isolated β-bridge	trans	-80	145.2	174.4	-55.9	-177.2	0	0	0	111.3	R597 R598	L592-R597 WeakPolarHBondContact CA-O 3.39Å; L592-R598 HydrophobicContact CD2-CB 4.14Å; L592-R598 HydrophobicContact CD2-CG 4.44Å
593	C	86.8	Confident	74	Confident	10 Å²	10	98.3 Å²	98.3	7%	0.068	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-72.5	167.2	168.5	64.5	0	0	0	0	111.1	C595 G596 R597 C618 Y632	C593-C595 HydrophobicContact CB-CB 4.32Å; C593-C595 WeakPolarHBondContact CB-SG 3.49Å; C593-C595 PolarHBondContact O-N 3.08Å; C593-C595 WeakPolarHBondContact SG-CA 3.32Å; C593-C595 WeakPolarHBondContact SG-CB 3.46Å; C593-C595 PolarHBondContact SG-N 2.93Å; C593-C595 CovalentContact SG-SG 2.04Å; C593-C595 PolarHBondContact SG-SG 3.27Å; C593-G596 PolarHBondContact O-N 3.15Å; C593-G596 VanDerWaalsContact O-N 3.09Å; C593-G596 PolarHBondContact SG-N 3.11Å; C593-G596 VanDerWaalsContact SG-N 3.43Å; C593-R597 PolarHBondContact N-O 2.8Å; C593-R597 PolarHBondContact SG-N 2.69Å; C593-R597 PolarHBondContact SG-O 3.31Å; C593-C618 HydrophobicContact CB-CB 4.5Å; C593-Y632 HydrophobicContact CB-CG 4.14Å
594	K	78.4	Confident	77	Confident	187 Å²	187	88.1 Å²	88.1	81%	0.813	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-2.8	165.9	-55.6	178.6	-179.7	178.4	0	113.6	Y632	K594-Y632 HydrophobicContact CG-CD2 4.46Å
595	C	82.8	Confident	79.5	Confident	53 Å²	53	83 Å²	83	36%	0.358	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	13.9	177.9	63.3	0	0	0	0	113.9	C593 R597 C630	C593-C595 HydrophobicContact CB-CB 4.32Å; C593-C595 WeakPolarHBondContact CB-SG 3.49Å; C593-C595 PolarHBondContact O-N 3.08Å; C593-C595 WeakPolarHBondContact SG-CA 3.32Å; C593-C595 WeakPolarHBondContact SG-CB 3.46Å; C593-C595 PolarHBondContact SG-N 2.93Å; C593-C595 CovalentContact SG-SG 2.04Å; C593-C595 PolarHBondContact SG-SG 3.27Å; C595-R597 PolarHBondContact O-N 3.44Å; C595-C630 HydrophobicContact CB-CB 3.85Å; C595-C630 PolarHBondContact N-SG 3.28Å
596	G	79.9	Confident	81.8	Confident	57 Å²	57	85.2 Å²	85.2	59%	0.588	46%	0.458	S	S	*	.	S	Bend	trans	74	-26.9	178.9	0	0	0	0	0	116	C593	C593-G596 PolarHBondContact O-N 3.15Å; C593-G596 VanDerWaalsContact O-N 3.09Å; C593-G596 PolarHBondContact SG-N 3.11Å; C593-G596 VanDerWaalsContact SG-N 3.43Å
597	R	82.8	Confident	82.7	Confident	159 Å²	159	88.1 Å²	88.1	60%	0.6	45%	0.453	S	S	*	.	S	Bend	trans	-67.4	152.1	176.1	-57	-175.9	-179	-160.7	-2.5	112.1	L592 C593 C595	L592-R597 WeakPolarHBondContact CA-O 3.39Å; C593-R597 PolarHBondContact N-O 2.8Å; C593-R597 PolarHBondContact SG-N 2.69Å; C593-R597 PolarHBondContact SG-O 3.31Å; C595-R597 PolarHBondContact O-N 3.44Å
598	R	89.1	Confident	83.9	Confident	136 Å²	136	81.8 Å²	81.8	51%	0.513	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-70.2	140.6	172.5	-164.4	173.3	-61	-76	6.4	110.8	P590 L592 P619	P590-R598 HydrophobicContact CB-CG 3.94Å; P590-R598 WeakPolarHBondContact O-CG 3.17Å; P590-R598 PolarHBondContact O-NH1 3.25Å; L592-R598 HydrophobicContact CD2-CB 4.14Å; L592-R598 HydrophobicContact CD2-CG 4.44Å; R598-P619 WeakPolarHBondContact O-CD 3.39Å; R598-P619 WeakPolarHBondContact O-CG 3.23Å
599	S	91.1	Very high	84.6	Confident	7 Å²	7	85.6 Å²	85.6	5%	0.049	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-76.2	148.8	177.5	58	0	0	0	0	112.5	P590 P591 C617	P590-S599 VanDerWaalsContact CB-O 3.3Å; P590-S599 WeakPolarHBondContact CB-O 3.21Å; P591-S599 WeakPolarHBondContact CD-OG 3.33Å; P591-S599 VanDerWaalsContact O-CB 3.32Å; P591-S599 WeakPolarHBondContact O-CB 3.17Å; P591-S599 PolarHBondContact O-N 2.83Å; P591-S599 PolarHBondContact O-OG 3.13Å; S599-C617 CarbonylContact C-O 3.55Å; S599-C617 VanDerWaalsContact CA-O 3.23Å; S599-C617 WeakPolarHBondContact CA-O 3.49Å; S599-C617 WeakPolarHBondContact CB-O 3.32Å
600	K	89.8	Confident	84.8	Confident	104 Å²	104	84.1 Å²	84.1	45%	0.452	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.5	171.6	-170.8	171.4	-177.6	176.1	0	108.4	E551 L602 Y616 C617	E551-K600 IonicContact OE1-NZ 3.4Å; K600-L602 HydrophobicContact CD-CD2 4.21Å; K600-L602 HydrophobicContact CG-CD2 4.23Å; K600-Y616 WeakPolarHBondContact O-CA 3.32Å; K600-C617 PolarHBondContact N-O 3.09Å; K600-C617 PolarHBondContact O-N 2.94Å
601	R	91.2	Very high	84.9	Confident	121 Å²	121	87.1 Å²	87.1	46%	0.457	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.9	169.6	-171.9	179.4	178.4	-92.4	3.5	108.7	F615 Y616 E636	R601-F615 CarbonylContact C-O 3.56Å; R601-F615 WeakPolarHBondContact CA-O 3.37Å; R601-Y616 HydrophobicContact CB-CD1 3.98Å; R601-Y616 HydrophobicContact CB-CE1 3.69Å; R601-Y616 HydrophobicContact CG-CD1 4.44Å; R601-Y616 HydrophobicContact CG-CE1 3.97Å; R601-E636 IonicContact CZ-OE1 3.36Å; R601-E636 IonicContact CZ-OE2 3.37Å; R601-E636 IonicContact NE-OE1 3.19Å; R601-E636 PolarHBondContact NE-OE1 3.38Å; R601-E636 IonicContact NE-OE2 3.57Å; R601-E636 PolarHBondContact NE-OE2 2.9Å; R601-E636 IonicContact NH2-OE1 2.7Å; R601-E636 IonicContact NH2-OE2 2.69Å; R601-E636 PolarHBondContact NH2-OE2 2.67Å
602	L	88.6	Confident	84.8	Confident	65 Å²	65	88 Å²	88	34%	0.34	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.4	177.4	-64.7	177.5	0	0	0	109.3	K600 A614 F615	K600-L602 HydrophobicContact CD-CD2 4.21Å; K600-L602 HydrophobicContact CG-CD2 4.23Å; L602-A614 CarbonylContact O-C 3.55Å; L602-A614 VanDerWaalsContact O-CA 3.29Å; L602-A614 WeakPolarHBondContact O-CA 3.4Å; L602-F615 HydrophobicContact CB-CD1 4.43Å; L602-F615 HydrophobicContact CB-CD2 4.4Å; L602-F615 HydrophobicContact CB-CE1 3.87Å; L602-F615 HydrophobicContact CB-CE2 3.85Å; L602-F615 HydrophobicContact CB-CZ 3.56Å; L602-F615 HydrophobicContact CD1-CE2 3.91Å; L602-F615 HydrophobicContact CD1-CZ 3.92Å; L602-F615 HydrophobicContact CG-CE2 4.41Å; L602-F615 HydrophobicContact CG-CZ 4.38Å; L602-F615 PolarHBondContact N-O 3.04Å; L602-F615 WeakPolarHBondContact O-CD1 3.34Å; L602-F615 PolarHBondContact O-N 3.42Å
603	T	91.1	Very high	84.8	Confident	72 Å²	72	86.6 Å²	86.6	44%	0.442	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.7	176.6	-54.9	0	0	0	0	109.3	S605 G612	T603-S605 PolarHBondContact O-N 2.85Å; T603-G612 WeakPolarHBondContact CG2-O 3.25Å
604	V	90.6	Very high	84.9	Confident	30 Å²	30	86.7 Å²	86.7	18%	0.182	47%	0.47	C	S	.	.			trans	-76.7	110.4	174.2	179.4	0	0	0	0	109.9	N606 N610 G612 K613 F615 W635	V604-N606 HydrophobicContact CG1-CB 4.18Å; V604-N610 WeakPolarHBondContact CB-O 3.3Å; V604-G612 PolarHBondContact O-N 3.07Å; V604-K613 PolarHBondContact N-O 2.72Å; V604-F615 HydrophobicContact CG2-CD1 4.02Å; V604-F615 HydrophobicContact CG2-CE1 3.85Å; V604-W635 HydrophobicContact CG2-CH2 3.87Å; V604-W635 HydrophobicContact CG2-CZ3 3.99Å
605	S	85.1	Confident	85.6	Confident	90 Å²	90	79.3 Å²	79.3	63%	0.629	44%	0.438	S	S	*	.			trans	-81.6	-25.5	172	49.4	0	0	0	0	113.4	T603 N607 H611	T603-S605 PolarHBondContact O-N 2.85Å; S605-N607 PolarHBondContact O-N 3.48Å; S605-H611 PolarHBondContact O-CE1 3.48Å; S605-H611 PolarHBondContact O-ND1 3.22Å
606	N	82.9	Confident	86	Confident	121 Å²	121	76.9 Å²	76.9	65%	0.647	42%	0.422	S	S	*	.	S	Bend	trans	-60.6	132.8	-178.7	-64.8	17.4	0	0	0	112	V604 G608 H611	V604-N606 HydrophobicContact CG1-CB 4.18Å; N606-G608 PolarHBondContact O-N 3.03Å; N606-H611 WeakPolarHBondContact O-CB 3.28Å; N606-H611 PolarHBondContact O-ND1 3.09Å
607	N	69.2	Low	86.5	Confident	152 Å²	152	75.4 Å²	75.4	81%	0.813	40%	0.402	S	S	*	.	S	Bend	trans	-66.9	120.4	176.1	-66.7	-6.4	0	0	0	110.4	S605 H611	S605-N607 PolarHBondContact O-N 3.48Å; N607-H611 PolarHBondContact OD1-CE1 3.41Å; N607-H611 PolarHBondContact OD1-ND1 3.1Å
608	G	80.9	Confident	86.7	Confident	44 Å²	44	68.4 Å²	68.4	45%	0.454	38%	0.377	S	S	.	.	S	Bend	trans	161.7	-175.7	-177.1	0	0	0	0	0	112.4	N606 N610 H611	N606-G608 PolarHBondContact O-N 3.03Å; G608-N610 PolarHBondContact O-N 3.31Å; G608-H611 WeakPolarHBondContact O-CB 3.19Å; G608-H611 PolarHBondContact O-N 3.27Å
609	P	79.7	Confident	86.3	Confident	124 Å²	124	65.3 Å²	65.3	81%	0.805	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-6.7	-169.7	-25.9	35.4	0	0	0	116.7	K613	P609-K613 WeakPolarHBondContact O-CE 3.42Å; P609-K613 PolarHBondContact O-NZ 3.23Å
610	N	81.8	Confident	85.5	Confident	69 Å²	69	68 Å²	68	37%	0.369	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	8.4	177.4	-65.4	-47.8	0	0	0	113.8	V604 G608 K613 W635	V604-N610 WeakPolarHBondContact CB-O 3.3Å; G608-N610 PolarHBondContact O-N 3.31Å; N610-K613 HydrophobicContact CB-CD 4.16Å; N610-K613 VanDerWaalsContact O-CB 3.3Å; N610-K613 WeakPolarHBondContact O-CB 3.27Å; N610-K613 WeakPolarHBondContact O-CG 3.48Å; N610-K613 PolarHBondContact O-N 2.82Å; N610-K613 VanDerWaalsContact O-N 3.09Å; N610-K613 WeakPolarHBondContact OD1-CD 3.35Å; N610-K613 PolarHBondContact OD1-NZ 2.95Å; N610-W635 HydrophobicContact CB-CH2 4.01Å
611	H	84.9	Confident	84.1	Confident	100 Å²	100	65.4 Å²	65.4	46%	0.463	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	140.2	173.1	-176.3	88.6	0	0	0	111.1	S605 N606 N607 G608 K613	S605-H611 PolarHBondContact O-CE1 3.48Å; S605-H611 PolarHBondContact O-ND1 3.22Å; N606-H611 WeakPolarHBondContact O-CB 3.28Å; N606-H611 PolarHBondContact O-ND1 3.09Å; N607-H611 PolarHBondContact OD1-CE1 3.41Å; N607-H611 PolarHBondContact OD1-ND1 3.1Å; G608-H611 WeakPolarHBondContact O-CB 3.19Å; G608-H611 PolarHBondContact O-N 3.27Å; H611-K613 PolarHBondContact O-N 3.25Å; H611-K613 VanDerWaalsContact O-N 3.1Å
612	G	84.3	Confident	82.4	Confident	50 Å²	50	68.3 Å²	68.3	52%	0.515	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	-7.7	-177.6	0	0	0	0	0	115.6	T603 V604	T603-G612 WeakPolarHBondContact CG2-O 3.25Å; V604-G612 PolarHBondContact O-N 3.07Å
613	K	89.4	Confident	80.6	Confident	68 Å²	68	73.5 Å²	73.5	30%	0.296	43%	0.431	S	S	.	.			trans	-81	136.2	179.6	-58.7	-176.2	-164.3	165.2	0	111.5	V604 P609 N610 H611 W635	V604-K613 PolarHBondContact N-O 2.72Å; P609-K613 WeakPolarHBondContact O-CE 3.42Å; P609-K613 PolarHBondContact O-NZ 3.23Å; N610-K613 HydrophobicContact CB-CD 4.16Å; N610-K613 VanDerWaalsContact O-CB 3.3Å; N610-K613 WeakPolarHBondContact O-CB 3.27Å; N610-K613 WeakPolarHBondContact O-CG 3.48Å; N610-K613 PolarHBondContact O-N 2.82Å; N610-K613 VanDerWaalsContact O-N 3.09Å; N610-K613 WeakPolarHBondContact OD1-CD 3.35Å; N610-K613 PolarHBondContact OD1-NZ 2.95Å; H611-K613 PolarHBondContact O-N 3.25Å; H611-K613 VanDerWaalsContact O-N 3.1Å; K613-W635 HydrophobicContact CB-CE3 4.24Å; K613-W635 HydrophobicContact CB-CZ3 3.86Å
614	A	89.6	Confident	78.3	Confident	11 Å²	11	77.1 Å²	77.1	9%	0.091	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	143.2	179.5	0	0	0	0	0	113.3	L602 E636	L602-A614 CarbonylContact O-C 3.55Å; L602-A614 VanDerWaalsContact O-CA 3.29Å; L602-A614 WeakPolarHBondContact O-CA 3.4Å; A614-E636 HydrophobicContact CB-CB 4.16Å; A614-E636 WeakPolarHBondContact CB-OE2 3.49Å; A614-E636 WeakPolarHBondContact O-CB 3.4Å; A614-E636 PolarHBondContact O-N 2.74Å
615	F	91.8	Very high	76.5	Confident	33 Å²	33	85.1 Å²	85.1	15%	0.145	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	164.8	176.8	65.5	-86.8	0	0	0	111.2	R601 L602 V604 C617 F633 K634 W635	R601-F615 CarbonylContact C-O 3.56Å; R601-F615 WeakPolarHBondContact CA-O 3.37Å; L602-F615 HydrophobicContact CB-CD1 4.43Å; L602-F615 HydrophobicContact CB-CD2 4.4Å; L602-F615 HydrophobicContact CB-CE1 3.87Å; L602-F615 HydrophobicContact CB-CE2 3.85Å; L602-F615 HydrophobicContact CB-CZ 3.56Å; L602-F615 HydrophobicContact CD1-CE2 3.91Å; L602-F615 HydrophobicContact CD1-CZ 3.92Å; L602-F615 HydrophobicContact CG-CE2 4.41Å; L602-F615 HydrophobicContact CG-CZ 4.38Å; L602-F615 PolarHBondContact N-O 3.04Å; L602-F615 WeakPolarHBondContact O-CD1 3.34Å; L602-F615 PolarHBondContact O-N 3.42Å; V604-F615 HydrophobicContact CG2-CD1 4.02Å; V604-F615 HydrophobicContact CG2-CE1 3.85Å; F615-C617 HydrophobicContact CD2-CB 4.36Å; F615-C617 HydrophobicContact CE2-CB 4.21Å; F615-F633 HydrophobicContact CB-CE2 3.86Å; F615-F633 HydrophobicContact CB-CZ 3.99Å; F615-F633 HydrophobicContact CD1-CE2 4.36Å; F615-F633 AromaticContact CD2-CD2 3.71Å; F615-F633 HydrophobicContact CD2-CD2 3.71Å; F615-F633 AromaticContact CD2-CE2 3.31Å; F615-F633 HydrophobicContact CD2-CE2 3.31Å; F615-F633 HydrophobicContact CD2-CZ 4.27Å; F615-F633 HydrophobicContact CE2-CD2 4.19Å; F615-F633 AromaticContact CE2-CE2 3.86Å; F615-F633 HydrophobicContact CE2-CE2 3.86Å; F615-F633 HydrophobicContact CG-CD2 4.38Å; F615-F633 AromaticContact CG-CE2 3.6Å; F615-F633 HydrophobicContact CG-CE2 3.6Å; F615-F633 HydrophobicContact CG-CZ 4.14Å; F615-K634 CarbonylContact C-O 3.46Å; F615-K634 WeakPolarHBondContact CA-O 3.46Å; F615-W635 HydrophobicContact CB-CD2 4.31Å; F615-W635 HydrophobicContact CB-CE3 3.74Å; F615-W635 HydrophobicContact CB-CZ3 4.02Å; F615-W635 HydrophobicContact CD1-CZ3 4.02Å; F615-W635 HydrophobicContact CG-CZ3 4.42Å
616	Y	92.3	Very high	74.9	Confident	2 Å²	2	88.7 Å²	88.7	1%	0.008	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.7	177.7	-68.1	-88	0	0	0	109.6	P590 P591 K600 R601 F633 K634 E636 L639	P590-Y616 HydrophobicContact CB-CD1 3.89Å; P590-Y616 HydrophobicContact CB-CE1 3.61Å; P590-Y616 HydrophobicContact CG-CE1 3.99Å; P591-Y616 HydrophobicContact CG-CD1 4.41Å; P591-Y616 HydrophobicContact CG-CG 4.25Å; K600-Y616 WeakPolarHBondContact O-CA 3.32Å; R601-Y616 HydrophobicContact CB-CD1 3.98Å; R601-Y616 HydrophobicContact CB-CE1 3.69Å; R601-Y616 HydrophobicContact CG-CD1 4.44Å; R601-Y616 HydrophobicContact CG-CE1 3.97Å; Y616-F633 CarbonylContact O-C 3.2Å; Y616-F633 VanDerWaalsContact O-CA 3.28Å; Y616-F633 WeakPolarHBondContact O-CA 3.35Å; Y616-K634 PolarHBondContact N-O 3.19Å; Y616-K634 PolarHBondContact O-N 3.08Å; Y616-E636 HydrophobicContact CD2-CB 4.44Å; Y616-E636 HydrophobicContact CE2-CB 3.84Å; Y616-E636 HydrophobicContact CE2-CG 3.95Å; Y616-E636 WeakPolarHBondContact CE2-OE1 3.29Å; Y616-E636 PolarHBondContact OH-OE1 3.28Å; Y616-L639 HydrophobicContact CD2-CD1 3.53Å; Y616-L639 HydrophobicContact CE2-CD1 3.74Å; Y616-L639 HydrophobicContact CG-CD1 4.36Å
617	C	89.5	Confident	73.8	Confident	26 Å²	26	92.5 Å²	92.5	18%	0.176	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	162	176.5	76.1	0	0	0	0	113.2	S599 K600 F615 Y632	S599-C617 CarbonylContact C-O 3.55Å; S599-C617 VanDerWaalsContact CA-O 3.23Å; S599-C617 WeakPolarHBondContact CA-O 3.49Å; S599-C617 WeakPolarHBondContact CB-O 3.32Å; K600-C617 PolarHBondContact N-O 3.09Å; K600-C617 PolarHBondContact O-N 2.94Å; F615-C617 HydrophobicContact CD2-CB 4.36Å; F615-C617 HydrophobicContact CE2-CB 4.21Å; C617-Y632 VanDerWaalsContact CA-O 3.27Å; C617-Y632 WeakPolarHBondContact CA-O 3.5Å
618	C	88.4	Confident	73.2	Confident	12 Å²	12	95.7 Å²	95.7	8%	0.081	50%	0.502	C	S	.	.			trans	-62.5	132.2	168.1	179.8	0	0	0	0	110.5	C593 V620 C630 Y632	C593-C618 HydrophobicContact CB-CB 4.5Å; C618-V620 VanDerWaalsContact C-N 3.28Å; C618-V620 PolarHBondContact O-N 2.89Å; C618-V620 PolarHBondContact SG-N 3.47Å; C618-V620 PolarHBondContact SG-O 2.66Å; C618-C630 HydrophobicContact CB-CB 4.02Å; C618-C630 VanDerWaalsContact SG-CB 3.58Å; C618-Y632 PolarHBondContact N-O 2.89Å; C618-Y632 VanDerWaalsContact N-O 3.08Å
619	P	80.4	Confident	72.5	Confident	70 Å²	70	96.8 Å²	96.8	46%	0.455	50%	0.503	S	S	.	.	S	Bend	trans	-71.3	-23.5	174.8	29.3	-35.5	0	0	0	112.7	R598 G621	R598-P619 WeakPolarHBondContact O-CD 3.39Å; R598-P619 WeakPolarHBondContact O-CG 3.23Å; P619-G621 PolarHBondContact O-N 2.93Å; P619-G621 VanDerWaalsContact O-N 3.09Å
620	V	74.6	Confident	72.4	Confident	65 Å²	65	92.2 Å²	92.2	39%	0.394	47%	0.473	S	S	.	.	S	Bend	trans	-77.9	92.4	167.6	-171.5	0	0	0	0	107.9	C618	C618-V620 VanDerWaalsContact C-N 3.28Å; C618-V620 PolarHBondContact O-N 2.89Å; C618-V620 PolarHBondContact SG-N 3.47Å; C618-V620 PolarHBondContact SG-O 2.66Å
621	G	60.4	Low	72.3	Confident	48 Å²	48	92.3 Å²	92.3	50%	0.495	49%	0.49	S	S	.	.			trans	-70.9	-172.7	176.1	0	0	0	0	0	113.6	P619 H623	P619-G621 PolarHBondContact O-N 2.93Å; P619-G621 VanDerWaalsContact O-N 3.09Å; G621-H623 PolarHBondContact O-N 2.62Å; G621-H623 VanDerWaalsContact O-N 3.1Å
622	K	55.6	Low	72.4	Confident	182 Å²	182	89.3 Å²	89.3	79%	0.791	48%	0.475	S	S	*	.	S	Bend	trans	-79.8	77.3	176.4	-68.5	-178.5	177.1	179.5	0	111.6
623	H	49.8	Very low	72.8	Confident	175 Å²	175	92 Å²	92	81%	0.81	47%	0.473	S	S	*	.			trans	-156.2	91	159.7	-96.9	-67.3	0	0	0	112.6	G621	G621-H623 PolarHBondContact O-N 2.62Å; G621-H623 VanDerWaalsContact O-N 3.1Å
624	Q	42.2	Very low	72.8	Confident	148 Å²	148	91.1 Å²	91.1	69%	0.692	47%	0.469	S	S	*	.			trans	-174.3	125.3	148.6	-109.7	-178.1	-1.6	0	0	105.8	D626	Q624-D626 VanDerWaalsContact C-N 3.33Å; Q624-D626 PolarHBondContact O-N 3.17Å
625	E	52.6	Low	73	Confident	198 Å²	198	94 Å²	94	93%	0.925	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-25.8	-159.9	-58.1	-167.8	121	0	0	113.6
626	D	52.9	Low	72.8	Confident	164 Å²	164	93.7 Å²	93.7	88%	0.877	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	12.6	-176.8	-71.1	-61.4	0	0	0	116.2	Q624	Q624-D626 VanDerWaalsContact C-N 3.33Å; Q624-D626 PolarHBondContact O-N 3.17Å
627	R	58.8	Low	72.4	Confident	201 Å²	201	99.4 Å²	99.4	76%	0.758	50%	0.503	S	S	*	.	S	Bend	trans	-127.7	130.5	175.9	-69.9	-168.3	179.4	-155.8	1.9	113.7	C629	R627-C629 PolarHBondContact O-N 2.84Å
628	K	57.9	Low	72.3	Confident	219 Å²	219	101 Å²	101	95%	0.952	51%	0.513	S	S	*	.			trans	-59.2	104	173.9	-70.8	-179.3	179.2	175.2	0	110.4
629	C	65.8	Low	72	Confident	68 Å²	68	101.8 Å²	101.8	46%	0.459	52%	0.516	S	S	.	.			trans	-68	145.9	176.6	55.8	0	0	0	0	111.4	R627 G631	R627-C629 PolarHBondContact O-N 2.84Å; C629-G631 VanDerWaalsContact C-N 3.29Å; C629-G631 PolarHBondContact O-N 2.92Å
630	C	77.6	Confident	72	Confident	28 Å²	28	103 Å²	103	19%	0.189	52%	0.515	C	S	.	.			trans	-66.3	-26.7	-166	-175.7	0	0	0	0	114.4	C595 C618 Y632	C595-C630 HydrophobicContact CB-CB 3.85Å; C595-C630 PolarHBondContact N-SG 3.28Å; C618-C630 HydrophobicContact CB-CB 4.02Å; C618-C630 VanDerWaalsContact SG-CB 3.58Å; C630-Y632 PolarHBondContact O-N 2.9Å
631	G	79.6	Confident	72.4	Confident	70 Å²	70	106.9 Å²	106.9	72%	0.722	53%	0.527	S	S	*	.			trans	58.9	18.4	179.5	0	0	0	0	0	115.4	C629 F633	C629-G631 VanDerWaalsContact C-N 3.29Å; C629-G631 PolarHBondContact O-N 2.92Å; G631-F633 PolarHBondContact O-N 3.41Å
632	Y	87.8	Confident	73.4	Confident	37 Å²	37	108.9 Å²	108.9	15%	0.145	52%	0.523	C	S	.	.			trans	-70.9	126.4	179.6	-175.8	-88.8	0	0	0	110.5	P591 C593 K594 C617 C618 C630 K634	P591-Y632 HydrophobicContact CG-CE1 4.34Å; P591-Y632 VanDerWaalsContact CG-OH 3.25Å; P591-Y632 WeakPolarHBondContact CG-OH 3.45Å; C593-Y632 HydrophobicContact CB-CG 4.14Å; K594-Y632 HydrophobicContact CG-CD2 4.46Å; C617-Y632 VanDerWaalsContact CA-O 3.27Å; C617-Y632 WeakPolarHBondContact CA-O 3.5Å; C618-Y632 PolarHBondContact N-O 2.89Å; C618-Y632 VanDerWaalsContact N-O 3.08Å; C630-Y632 PolarHBondContact O-N 2.9Å; Y632-K634 HydrophobicContact CE1-CB 4.41Å
633	F	91	Very high	74.3	Confident	106 Å²	106	107.3 Å²	107.3	47%	0.465	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	134.9	175.2	176.2	-88	0	0	0	108.9	F615 Y616 G631 W635	F615-F633 HydrophobicContact CB-CE2 3.86Å; F615-F633 HydrophobicContact CB-CZ 3.99Å; F615-F633 HydrophobicContact CD1-CE2 4.36Å; F615-F633 AromaticContact CD2-CD2 3.71Å; F615-F633 HydrophobicContact CD2-CD2 3.71Å; F615-F633 AromaticContact CD2-CE2 3.31Å; F615-F633 HydrophobicContact CD2-CE2 3.31Å; F615-F633 HydrophobicContact CD2-CZ 4.27Å; F615-F633 HydrophobicContact CE2-CD2 4.19Å; F615-F633 AromaticContact CE2-CE2 3.86Å; F615-F633 HydrophobicContact CE2-CE2 3.86Å; F615-F633 HydrophobicContact CG-CD2 4.38Å; F615-F633 AromaticContact CG-CE2 3.6Å; F615-F633 HydrophobicContact CG-CE2 3.6Å; F615-F633 HydrophobicContact CG-CZ 4.14Å; Y616-F633 CarbonylContact O-C 3.2Å; Y616-F633 VanDerWaalsContact O-CA 3.28Å; Y616-F633 WeakPolarHBondContact O-CA 3.35Å; G631-F633 PolarHBondContact O-N 3.41Å; F633-W635 HydrophobicContact CE1-CD2 4.34Å; F633-W635 AromaticContact CE1-CE2 3.89Å; F633-W635 HydrophobicContact CE1-CG 4.4Å; F633-W635 HydrophobicContact CE1-CZ2 4.35Å; F633-W635 AromaticContact CE1-NE1 3.67Å; F633-W635 HydrophobicContact CZ-CD2 4.09Å; F633-W635 AromaticContact CZ-CE2 3.66Å; F633-W635 HydrophobicContact CZ-CH2 4.26Å; F633-W635 AromaticContact CZ-CZ2 3.76Å; F633-W635 HydrophobicContact CZ-CZ2 3.76Å; F633-W635 AromaticContact CZ-NE1 3.95Å
634	K	90.8	Very high	75.4	Confident	51 Å²	51	101.7 Å²	101.7	22%	0.222	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	137	172.5	-164.3	167.5	-174.4	177.1	0	111.9	F615 Y616 Y632 L639 E642	F615-K634 CarbonylContact C-O 3.46Å; F615-K634 WeakPolarHBondContact CA-O 3.46Å; Y616-K634 PolarHBondContact N-O 3.19Å; Y616-K634 PolarHBondContact O-N 3.08Å; Y632-K634 HydrophobicContact CE1-CB 4.41Å; K634-L639 HydrophobicContact CD-CD1 4.25Å; K634-L639 HydrophobicContact CD-CD2 3.87Å; K634-L639 HydrophobicContact CD-CG 3.85Å; K634-L639 HydrophobicContact CG-CD1 4.38Å; K634-L639 HydrophobicContact CG-CG 4.27Å; K634-E642 WeakPolarHBondContact CE-OE1 3.45Å; K634-E642 IonicContact NZ-OE1 3.8Å; K634-E642 PolarHBondContact NZ-OE1 2.82Å; K634-E642 IonicContact NZ-OE2 3.76Å; K634-E642 PolarHBondContact NZ-OE2 3.01Å
635	W	92.7	Very high	76.7	Confident	72 Å²	72	99.6 Å²	99.6	27%	0.273	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	143.9	174.8	-67	109	0	0	0	111.8	V604 N610 K613 F615 F633 Q637 T638 L639	V604-W635 HydrophobicContact CG2-CH2 3.87Å; V604-W635 HydrophobicContact CG2-CZ3 3.99Å; N610-W635 HydrophobicContact CB-CH2 4.01Å; K613-W635 HydrophobicContact CB-CE3 4.24Å; K613-W635 HydrophobicContact CB-CZ3 3.86Å; F615-W635 HydrophobicContact CB-CD2 4.31Å; F615-W635 HydrophobicContact CB-CE3 3.74Å; F615-W635 HydrophobicContact CB-CZ3 4.02Å; F615-W635 HydrophobicContact CD1-CZ3 4.02Å; F615-W635 HydrophobicContact CG-CZ3 4.42Å; F633-W635 HydrophobicContact CE1-CD2 4.34Å; F633-W635 AromaticContact CE1-CE2 3.89Å; F633-W635 HydrophobicContact CE1-CG 4.4Å; F633-W635 HydrophobicContact CE1-CZ2 4.35Å; F633-W635 AromaticContact CE1-NE1 3.67Å; F633-W635 HydrophobicContact CZ-CD2 4.09Å; F633-W635 AromaticContact CZ-CE2 3.66Å; F633-W635 HydrophobicContact CZ-CH2 4.26Å; F633-W635 AromaticContact CZ-CZ2 3.76Å; F633-W635 HydrophobicContact CZ-CZ2 3.76Å; F633-W635 AromaticContact CZ-NE1 3.95Å; W635-Q637 VanDerWaalsContact C-N 3.35Å; W635-Q637 PolarHBondContact O-N 3.11Å; W635-T638 WeakPolarHBondContact O-CB 3.37Å; W635-T638 PolarHBondContact O-N 3.21Å; W635-L639 PolarHBondContact O-N 3.01Å
636	E	88.8	Confident	77.1	Confident	25 Å²	25	93.5 Å²	93.5	12%	0.117	47%	0.469	C	S	.	.	H	α-helix	trans	-64.1	-39.1	178.9	-178.2	158.2	-102.1	0	0	112.3	R601 A614 Y616 T638 L639 Q640	R601-E636 IonicContact CZ-OE1 3.36Å; R601-E636 IonicContact CZ-OE2 3.37Å; R601-E636 IonicContact NE-OE1 3.19Å; R601-E636 PolarHBondContact NE-OE1 3.38Å; R601-E636 IonicContact NE-OE2 3.57Å; R601-E636 PolarHBondContact NE-OE2 2.9Å; R601-E636 IonicContact NH2-OE1 2.7Å; R601-E636 IonicContact NH2-OE2 2.69Å; R601-E636 PolarHBondContact NH2-OE2 2.67Å; A614-E636 HydrophobicContact CB-CB 4.16Å; A614-E636 WeakPolarHBondContact CB-OE2 3.49Å; A614-E636 WeakPolarHBondContact O-CB 3.4Å; A614-E636 PolarHBondContact O-N 2.74Å; Y616-E636 HydrophobicContact CD2-CB 4.44Å; Y616-E636 HydrophobicContact CE2-CB 3.84Å; Y616-E636 HydrophobicContact CE2-CG 3.95Å; Y616-E636 WeakPolarHBondContact CE2-OE1 3.29Å; Y616-E636 PolarHBondContact OH-OE1 3.28Å; E636-T638 PolarHBondContact O-N 3.14Å; E636-L639 WeakPolarHBondContact O-CB 3.36Å; E636-L639 PolarHBondContact O-N 3.46Å; E636-L639 VanDerWaalsContact O-N 3.1Å; E636-Q640 HydrophobicContact CG-CG 4.44Å; E636-Q640 WeakPolarHBondContact O-CG 3.48Å; E636-Q640 PolarHBondContact O-N 2.99Å
637	Q	84.2	Confident	77.4	Confident	122 Å²	122	92.5 Å²	92.5	57%	0.57	46%	0.457	S	S	*	.	H	α-helix	trans	-59.1	-32.9	175.9	-67.8	178	-24.3	0	0	112.7	W635 K641	W635-Q637 VanDerWaalsContact C-N 3.35Å; W635-Q637 PolarHBondContact O-N 3.11Å; Q637-K641 WeakPolarHBondContact O-CB 3.5Å; Q637-K641 PolarHBondContact O-N 3.48Å
638	T	86.4	Confident	77	Confident	61 Å²	61	86 Å²	86	37%	0.374	45%	0.447	S	S	.	.	H	α-helix	trans	-67.7	-42.9	175.6	-48.8	0	0	0	0	111.3	W635 E636 K641 E642	W635-T638 WeakPolarHBondContact O-CB 3.37Å; W635-T638 PolarHBondContact O-N 3.21Å; E636-T638 PolarHBondContact O-N 3.14Å; T638-K641 PolarHBondContact O-N 2.62Å; T638-E642 WeakPolarHBondContact O-CG 3.48Å; T638-E642 PolarHBondContact O-N 2.67Å
639	L	82.5	Confident	76.4	Confident	27 Å²	27	82.6 Å²	82.6	14%	0.141	44%	0.438	C	S	.	.	H	α-helix	trans	-67.3	-38.2	176.7	-72.2	158.4	0	0	0	111.9	P591 Y616 K634 W635 E636 E642 R643	P591-L639 HydrophobicContact CG-CD1 3.94Å; Y616-L639 HydrophobicContact CD2-CD1 3.53Å; Y616-L639 HydrophobicContact CE2-CD1 3.74Å; Y616-L639 HydrophobicContact CG-CD1 4.36Å; K634-L639 HydrophobicContact CD-CD1 4.25Å; K634-L639 HydrophobicContact CD-CD2 3.87Å; K634-L639 HydrophobicContact CD-CG 3.85Å; K634-L639 HydrophobicContact CG-CD1 4.38Å; K634-L639 HydrophobicContact CG-CG 4.27Å; W635-L639 PolarHBondContact O-N 3.01Å; E636-L639 WeakPolarHBondContact O-CB 3.36Å; E636-L639 PolarHBondContact O-N 3.46Å; E636-L639 VanDerWaalsContact O-N 3.1Å; L639-E642 PolarHBondContact O-N 3.24Å; L639-R643 WeakPolarHBondContact O-CB 3.42Å; L639-R643 PolarHBondContact O-N 3.47Å
640	Q	80.4	Confident	75.3	Confident	97 Å²	97	83.6 Å²	83.6	45%	0.453	45%	0.446	S	S	.	.	H	α-helix	trans	-61.7	-44	173.1	-71.8	170.3	-18.9	0	0	111.4	M588 E636 R643 A644	M588-Q640 HydrophobicContact CE-CB 4.46Å; M588-Q640 HydrophobicContact CE-CG 3.59Å; E636-Q640 HydrophobicContact CG-CG 4.44Å; E636-Q640 WeakPolarHBondContact O-CG 3.48Å; E636-Q640 PolarHBondContact O-N 2.99Å; Q640-R643 PolarHBondContact O-N 3.1Å; Q640-A644 WeakPolarHBondContact O-CB 3.33Å; Q640-A644 PolarHBondContact O-N 3.47Å
641	K	82.3	Confident	73.4	Confident	145 Å²	145	93.3 Å²	93.3	63%	0.63	48%	0.478	S	S	*	.	H	α-helix	trans	-66.3	-40.1	177.5	-168.3	168.3	-175.2	171.8	0	112.9	Q637 T638 R643 A644 N645	Q637-K641 WeakPolarHBondContact O-CB 3.5Å; Q637-K641 PolarHBondContact O-N 3.48Å; T638-K641 PolarHBondContact O-N 2.62Å; K641-R643 VanDerWaalsContact C-N 3.32Å; K641-R643 PolarHBondContact O-N 3.22Å; K641-A644 PolarHBondContact O-N 2.62Å; K641-N645 WeakPolarHBondContact O-CB 3.41Å; K641-N645 VanDerWaalsContact O-CG 3.27Å; K641-N645 PolarHBondContact O-N 2.84Å; K641-N645 PolarHBondContact O-OD1 3.19Å
642	E	80.9	Confident	71.4	Confident	91 Å²	91	94.2 Å²	94.2	43%	0.425	47%	0.474	S	S	.	.	H	α-helix	trans	-60.9	-40	172.5	-73.2	165.7	-177.4	0	0	112.3	K634 T638 L639 S646	K634-E642 WeakPolarHBondContact CE-OE1 3.45Å; K634-E642 IonicContact NZ-OE1 3.8Å; K634-E642 PolarHBondContact NZ-OE1 2.82Å; K634-E642 IonicContact NZ-OE2 3.76Å; K634-E642 PolarHBondContact NZ-OE2 3.01Å; T638-E642 WeakPolarHBondContact O-CG 3.48Å; T638-E642 PolarHBondContact O-N 2.67Å; L639-E642 PolarHBondContact O-N 3.24Å; E642-S646 PolarHBondContact O-N 2.79Å; E642-S646 VanDerWaalsContact O-N 3.14Å; E642-S646 PolarHBondContact O-OG 3.29Å
643	R	75.3	Confident	69.1	Low	149 Å²	149	98.3 Å²	98.3	56%	0.562	51%	0.508	S	S	*	.	H	α-helix	trans	-72.1	-33	177	-163.6	174.8	-173.9	-168	-0.7	113.2	L639 Q640 K641 S646 K647	L639-R643 WeakPolarHBondContact O-CB 3.42Å; L639-R643 PolarHBondContact O-N 3.47Å; Q640-R643 PolarHBondContact O-N 3.1Å; K641-R643 VanDerWaalsContact C-N 3.32Å; K641-R643 PolarHBondContact O-N 3.22Å; R643-S646 WeakPolarHBondContact CA-OG 3.33Å; R643-S646 PolarHBondContact O-OG 3.01Å; R643-K647 PolarHBondContact O-N 3.13Å; R643-K647 VanDerWaalsContact O-N 3.11Å
644	A	73.3	Confident	66.3	Low	57 Å²	57	102.6 Å²	102.6	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-67.3	-47.5	172.9	0	0	0	0	0	111.4	Q640 K641 S646 K647 A648	Q640-A644 WeakPolarHBondContact O-CB 3.33Å; Q640-A644 PolarHBondContact O-N 3.47Å; K641-A644 PolarHBondContact O-N 2.62Å; A644-S646 VanDerWaalsContact C-N 3.32Å; A644-S646 PolarHBondContact O-N 2.84Å; A644-K647 PolarHBondContact O-N 2.79Å; A644-A648 PolarHBondContact O-N 3.2Å
645	N	69.4	Low	63.5	Low	103 Å²	103	103.7 Å²	103.7	55%	0.551	56%	0.555	S	S	*	*	H	α-helix	trans	-61.1	-39.8	178.8	-70.9	9.1	0	0	0	112.3	K641 A648 L649	K641-N645 WeakPolarHBondContact O-CB 3.41Å; K641-N645 VanDerWaalsContact O-CG 3.27Å; K641-N645 PolarHBondContact O-N 2.84Å; K641-N645 PolarHBondContact O-OD1 3.19Å; N645-A648 PolarHBondContact O-N 3.4Å; N645-L649 PolarHBondContact O-N 2.92Å
646	S	61.6	Low	60.5	Low	71 Å²	71	108.4 Å²	108.4	50%	0.497	58%	0.584	S	S	.	*	H	α-helix	trans	-71.7	-32.7	176.3	41.5	0	0	0	0	113.3	E642 R643 A644 S650	E642-S646 PolarHBondContact O-N 2.79Å; E642-S646 VanDerWaalsContact O-N 3.14Å; E642-S646 PolarHBondContact O-OG 3.29Å; R643-S646 WeakPolarHBondContact CA-OG 3.33Å; R643-S646 PolarHBondContact O-OG 3.01Å; A644-S646 VanDerWaalsContact C-N 3.32Å; A644-S646 PolarHBondContact O-N 2.84Å; S646-S650 PolarHBondContact O-OG 2.88Å
647	K	57.8	Low	57.7	Low	142 Å²	142	112.6 Å²	112.6	62%	0.617	61%	0.612	S	S	*	*	H	α-helix	trans	-69.5	-31.8	169.6	-89.4	-162.3	168.8	-164.4	0	113.8	R643 A644 S650	R643-K647 PolarHBondContact O-N 3.13Å; R643-K647 VanDerWaalsContact O-N 3.11Å; A644-K647 PolarHBondContact O-N 2.79Å; K647-S650 WeakPolarHBondContact CA-OG 3.35Å; K647-S650 PolarHBondContact O-OG 3.34Å
648	A	51.6	Low	54.9	Low	66 Å²	66	115.9 Å²	115.9	55%	0.545	63%	0.625	S	S	.	*	H	α-helix	trans	-66.7	-44.7	176.3	0	0	0	0	0	111.1	A644 N645 S650 R651	A644-A648 PolarHBondContact O-N 3.2Å; N645-A648 PolarHBondContact O-N 3.4Å; A648-S650 PolarHBondContact O-N 2.98Å; A648-S650 VanDerWaalsContact O-N 3.17Å; A648-R651 PolarHBondContact O-N 3.24Å; A648-R651 VanDerWaalsContact O-N 3.13Å
649	L	45.3	Very low	52.2	Low	146 Å²	146	118.1 Å²	118.1	76%	0.764	64%	0.643	S	S	*	*	H	α-helix	trans	-64.1	-20.2	180	-151.6	72.6	0	0	0	113.6	N645	N645-L649 PolarHBondContact O-N 2.92Å
650	S	41.4	Very low	49.7	Very low	90 Å²	90	122.2 Å²	122.2	63%	0.629	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	9.1	176.6	56.9	0	0	0	0	115	S646 K647 A648	S646-S650 PolarHBondContact O-OG 2.88Å; K647-S650 WeakPolarHBondContact CA-OG 3.35Å; K647-S650 PolarHBondContact O-OG 3.34Å; A648-S650 PolarHBondContact O-N 2.98Å; A648-S650 VanDerWaalsContact O-N 3.17Å
651	R	37.8	Very low	47.6	Very low	231 Å²	231	123.7 Å²	123.7	87%	0.872	69%	0.691	S	S	*	*	S	Bend	trans	-124.9	15.5	177.1	-65	-164.5	75.2	165.8	4.7	114.4	A648	A648-R651 PolarHBondContact O-N 3.24Å; A648-R651 VanDerWaalsContact O-N 3.13Å
652	S	38.5	Very low	45	Very low	90 Å²	90	125 Å²	125	63%	0.629	70%	0.7	S	S	*	*			trans	-121.7	69.4	178.1	60.5	0	0	0	0	110.9
653	S	38.7	Very low	42.6	Very low	122 Å²	122	125.8 Å²	125.8	85%	0.853	71%	0.711	S	S	*	*			trans	-145.7	39.3	170.7	-154.1	0	0	0	0	113.5
654	E	32	Very low	40.3	Very low	197 Å²	197	124.5 Å²	124.5	92%	0.921	73%	0.725	S	S	*	*	S	Bend	trans	-126.4	137.3	158	-86.1	171.7	163.1	0	0	106
655	G	31.8	Very low	38.3	Very low	73 Å²	73	129.2 Å²	129.2	75%	0.753	74%	0.737	S	S	*	*			trans	-102.7	163.1	-163.4	0	0	0	0	0	114.2
656	L	30.6	Very low	36.4	Very low	171 Å²	171	132.3 Å²	132.3	90%	0.895	75%	0.752	S	S	*	*			trans	-165.7	177.6	137.9	-106.7	168.2	0	0	0	110.5
657	T	29.1	Very low	34.9	Very low	113 Å²	113	136.6 Å²	136.6	69%	0.693	76%	0.763	S	S	*	*			trans	-108.9	171.9	-160.2	46.2	0	0	0	0	115.3
658	F	27.3	Very low	33.4	Very low	192 Å²	192	137 Å²	137	84%	0.842	77%	0.772	S	S	*	*			trans	93.7	139.7	153.6	-93	-77.6	0	0	0	121.8
659	S	28.1	Very low	32.5	Very low	107 Å²	107	144.6 Å²	144.6	75%	0.748	79%	0.787	S	S	*	*			trans	72.2	119.9	152.9	-55.8	0	0	0	0	121
660	S	29.9	Very low	31.6	Very low	114 Å²	114	146.9 Å²	146.9	80%	0.797	79%	0.791	S	S	*	*			trans	-74.4	169.5	152.1	-54.7	0	0	0	0	110.8
661	P	37.8	Very low	31.1	Very low	127 Å²	127	147.8 Å²	147.8	83%	0.825	80%	0.797	S	S	*	*				-137.6	173.1	103.8	26.3	-8.2	0	0	0	115.8
662	E	27.9	Very low	30.5	Very low	173 Å²	173	142.2 Å²	142.2	81%	0.808	79%	0.793	S	S	*	*			trans	-60.1	169	165.8	-67.6	177.6	141.1	0	0	112.9
663	T	29.6	Very low	30.2	Very low	108 Å²	108	146.2 Å²	146.2	66%	0.663	80%	0.8	S	S	*	*			cis	-157.9	162.7	-7.3	15.1	0	0	0	0	109
664	S	27.9	Very low	29.6	Very low	121 Å²	121	146.1 Å²	146.1	85%	0.846	80%	0.796	S	S	*	*			trans	-172.9	136.5	136.2	31.5	0	0	0	0	111.7
665	H	29.5	Very low	29.6	Very low	156 Å²	156	143.6 Å²	143.6	72%	0.722	79%	0.788	S	S	*	*			trans	-101.9	133.2	176.6	-78.1	-114.8	0	0	0	111.1
666	I	30.5	Very low	29.6	Very low	169 Å²	169	149.1 Å²	149.1	87%	0.867	79%	0.791	S	S	*	*			trans	-132.6	131.6	142.6	-63.2	-174.3	0	0	0	107.7
667	H	29.8	Very low	29.8	Very low	160 Å²	160	148.1 Å²	148.1	74%	0.741	79%	0.786	S	S	*	*			trans	-80.9	145.8	176.2	-80.7	-88.6	0	0	0	111.9
668	D	26.8	Very low	30.4	Very low	150 Å²	150	147.5 Å²	147.5	80%	0.802	79%	0.787	S	S	*	*			trans	-140	154.4	133.6	-160.5	2.7	0	0	0	110.3
669	R	31.3	Very low	31.5	Very low	227 Å²	227	141.8 Å²	141.8	86%	0.857	76%	0.764	S	S	*	*			trans	-130.1	92.6	-154	-177.8	-168.6	-176.9	-173	3.6	111.5
670	K	28.2	Very low	32.7	Very low	194 Å²	194	145.7 Å²	145.7	84%	0.843	76%	0.763	S	S	*	*			trans	-129.1	140.3	166	-72	-176.4	179.5	165	0	112.1	S672	K670-S672 PolarHBondContact O-N 3.01Å
671	S	29.3	Very low	33.9	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	73%	0.731	S	S	*	*			trans	-71.8	118	-165.3	41.3	0	0	0	0	113.2	F673	S671-F673 PolarHBondContact O-N 3.35Å
672	S	25.8	Very low	35.2	Very low	114 Å²	114	135.6 Å²	135.6	80%	0.797	69%	0.693	S	S	*	*			trans	-76.4	109.3	164.7	44.5	0	0	0	0	110.1	K670	K670-S672 PolarHBondContact O-N 3.01Å
673	F	31.6	Very low	36.5	Very low	174 Å²	174	128.7 Å²	128.7	76%	0.763	66%	0.663	S	S	*	*			trans	-60.5	138.1	154.4	-73.5	-88.8	0	0	0	108	S671 I675	S671-F673 PolarHBondContact O-N 3.35Å; F673-I675 VanDerWaalsContact C-N 3.29Å; F673-I675 PolarHBondContact O-N 2.92Å
674	P	27.3	Very low	37.5	Very low	121 Å²	121	123.9 Å²	123.9	79%	0.786	63%	0.633	S	S	*	*			trans	-69.8	90.1	176.3	28.4	-33.9	0	0	0	109.4	K676	P674-K676 PolarHBondContact O-N 2.99Å
675	I	31.8	Very low	38.7	Very low	144 Å²	144	118.2 Å²	118.2	74%	0.738	59%	0.594	S	S	*	*			trans	-58.3	105.1	163.3	-62.6	176.4	0	0	0	105.7	F673 N677	F673-I675 VanDerWaalsContact C-N 3.29Å; F673-I675 PolarHBondContact O-N 2.92Å; I675-N677 VanDerWaalsContact C-N 3.35Å; I675-N677 PolarHBondContact O-N 3.26Å
676	K	32.2	Very low	40.2	Very low	189 Å²	189	117 Å²	117	82%	0.822	58%	0.583	S	S	*	*			trans	-61.1	104.6	164.5	-77.1	-172.7	174.5	-175.8	0	106.8	P674 S678	P674-K676 PolarHBondContact O-N 2.99Å; K676-S678 PolarHBondContact O-N 2.97Å
677	N	34.3	Very low	40.9	Very low	149 Å²	149	116.6 Å²	116.6	80%	0.797	58%	0.582	S	S	*	*			trans	-61.5	79.8	158.4	-78.5	-15.2	0	0	0	107.4	I675 L679	I675-N677 VanDerWaalsContact C-N 3.35Å; I675-N677 PolarHBondContact O-N 3.26Å; N677-L679 PolarHBondContact O-N 2.7Å; N677-L679 VanDerWaalsContact O-N 3.07Å
678	S	42.1	Very low	41.4	Very low	100 Å²	100	114.5 Å²	114.5	70%	0.699	57%	0.574	S	S	*	*			trans	-65.3	108.3	168.9	40.1	0	0	0	0	106.5	K676 R680	K676-S678 PolarHBondContact O-N 2.97Å; S678-R680 PolarHBondContact O-N 2.83Å
679	L	49.7	Very low	42.2	Very low	72 Å²	72	112.6 Å²	112.6	38%	0.377	56%	0.562	S	S	.	*			trans	-44.8	132.1	168.2	-59.6	174.2	0	0	0	107.7	K48 F92 N677 L681	K48-L679 WeakPolarHBondContact O-CD2 3.49Å; F92-L679 HydrophobicContact CE2-CD1 4.17Å; F92-L679 HydrophobicContact CZ-CD1 4.05Å; N677-L679 PolarHBondContact O-N 2.7Å; N677-L679 VanDerWaalsContact O-N 3.07Å; L679-L681 HydrophobicContact CB-CD1 3.96Å; L679-L681 HydrophobicContact CB-CD2 4Å; L679-L681 HydrophobicContact CB-CG 3.63Å; L679-L681 HydrophobicContact CD1-CD1 4.17Å; L679-L681 PolarHBondContact O-N 3.02Å
680	R	53	Low	42.8	Very low	189 Å²	189	106.2 Å²	106.2	71%	0.713	55%	0.546	S	S	*	.			trans	-77	37.8	-172.2	-74.4	-173.2	170.9	-179.5	0.9	113.1	S678	S678-R680 PolarHBondContact O-N 2.83Å
681	L	56.4	Low	43.7	Very low	23 Å²	23	101.1 Å²	101.1	12%	0.12	53%	0.528	C	S	.	.			trans	-66.8	153.3	-175.4	-49	-178.4	0	0	0	111.7	F92 L96 L679 M685 R686	F92-L681 HydrophobicContact CE1-CD2 3.61Å; F92-L681 HydrophobicContact CZ-CD1 4.26Å; F92-L681 HydrophobicContact CZ-CD2 3.68Å; L96-L681 HydrophobicContact CD2-CD1 4.32Å; L96-L681 HydrophobicContact CD2-CD2 4.14Å; L679-L681 HydrophobicContact CB-CD1 3.96Å; L679-L681 HydrophobicContact CB-CD2 4Å; L679-L681 HydrophobicContact CB-CG 3.63Å; L679-L681 HydrophobicContact CD1-CD1 4.17Å; L679-L681 PolarHBondContact O-N 3.02Å; L681-M685 HydrophobicContact CB-CB 3.69Å; L681-M685 VanDerWaalsContact CB-O 3.3Å; L681-M685 WeakPolarHBondContact CB-O 3.38Å; L681-M685 HydrophobicContact CB-SD 4.16Å; L681-M685 HydrophobicContact CD1-CB 4.33Å; L681-M685 WeakPolarHBondContact CD1-O 3.34Å; L681-M685 HydrophobicContact CD2-SD 4.43Å; L681-R686 VanDerWaalsContact O-CZ 3.22Å; L681-R686 PolarHBondContact O-NE 3.36Å; L681-R686 PolarHBondContact O-NH2 3.42Å
682	R	64.8	Low	44.6	Very low	7 Å²	7	100.6 Å²	100.6	3%	0.026	51%	0.514	C	S	.	.			trans	-68	165.5	179.7	72.5	-155.9	-164.7	74.7	13.6	111.7	D41 F42 E43 W154 D155 S684 M685	D41-R682 IonicContact OD1-CZ 3.72Å; D41-R682 IonicContact OD1-NH1 2.96Å; D41-R682 PolarHBondContact OD1-NH1 3.22Å; D41-R682 IonicContact OD1-NH2 2.68Å; D41-R682 PolarHBondContact OD1-NH2 3.01Å; F42-R682 PolarHBondContact O-NE 3.32Å; F42-R682 PolarHBondContact O-NH1 3.41Å; F42-R682 PolarHBondContact O-NH2 2.75Å; E43-R682 IonicContact OE1-CZ 3.65Å; E43-R682 IonicContact OE1-NE 2.68Å; E43-R682 IonicContact OE1-NH2 3.07Å; E43-R682 PolarHBondContact OE1-NH2 2.82Å; E43-R682 IonicContact OE2-CZ 2.81Å; E43-R682 IonicContact OE2-NE 3.11Å; E43-R682 PolarHBondContact OE2-NE 3.35Å; E43-R682 IonicContact OE2-NH2 3.17Å; E43-R682 PolarHBondContact OE2-NH2 3.1Å; W154-R682 HydrophobicContact CD2-CB 3.61Å; W154-R682 HydrophobicContact CD2-CG 4.38Å; W154-R682 HydrophobicContact CE3-CB 4.08Å; W154-R682 HydrophobicContact CE3-CG 4.37Å; W154-R682 HydrophobicContact CG-CB 3.94Å; W154-R682 HydrophobicContact CH2-CB 4.47Å; W154-R682 HydrophobicContact CZ2-CB 4.02Å; D155-R682 IonicContact OD1-NH1 3.77Å; D155-R682 PolarHBondContact OD1-NH1 3.38Å; D155-R682 VanDerWaalsContact OD1-NH1 3.1Å; R682-S684 VanDerWaalsContact C-N 3.31Å; R682-S684 WeakPolarHBondContact CG-OG 3.3Å; R682-S684 PolarHBondContact NH1-OG 3.46Å; R682-S684 VanDerWaalsContact NH1-OG 3.13Å; R682-S684 PolarHBondContact NH2-OG 3.09Å; R682-S684 VanDerWaalsContact NH2-OG 3.12Å; R682-S684 PolarHBondContact O-N 2.85Å; R682-M685 HydrophobicContact CG-CB 4.12Å; R682-M685 HydrophobicContact CG-CG 3.71Å; R682-M685 HydrophobicContact CG-SD 3.69Å; R682-M685 PolarHBondContact O-N 3.31Å
683	P	54.1	Low	45.8	Very low	28 Å²	28	99.7 Å²	99.7	18%	0.182	50%	0.495	C	S	.	.	S	Bend	trans	-70.1	-14.6	-166.9	-23.7	36.8	0	0	0	117.2	W151 S152 W154 R182	W151-P683 PolarHBondContact NE1-O 2.86Å; S152-P683 WeakPolarHBondContact OG-CG 3.46Å; W154-P683 HydrophobicContact CB-CG 4.09Å; R182-P683 PolarHBondContact NH1-O 2.95Å
684	S	50.9	Low	46.8	Very low	6 Å²	6	94.4 Å²	94.4	4%	0.042	48%	0.476	C	S	.	.	S	Bend	trans	-75.6	-52.6	167	37.9	0	0	0	0	110.9	W151 R682 R686	W151-S684 VanDerWaalsContact CD1-CA 3.49Å; R682-S684 VanDerWaalsContact C-N 3.31Å; R682-S684 WeakPolarHBondContact CG-OG 3.3Å; R682-S684 PolarHBondContact NH1-OG 3.46Å; R682-S684 VanDerWaalsContact NH1-OG 3.13Å; R682-S684 PolarHBondContact NH2-OG 3.09Å; R682-S684 VanDerWaalsContact NH2-OG 3.12Å; R682-S684 PolarHBondContact O-N 2.85Å; S684-R686 PolarHBondContact O-N 3.18Å
685	M	52.5	Low	48.3	Very low	3 Å²	3	92.4 Å²	92.4	2%	0.015	45%	0.452	C	S	.	.	S	Bend	trans	-62.1	42.2	173.5	-62.8	175.9	167.2	0	0	115.6	E43 L96 T97 L681 R682	E43-M685 WeakPolarHBondContact OE2-CE 3.5Å; L96-M685 HydrophobicContact CD2-CE 3.61Å; L96-M685 HydrophobicContact CD2-CG 4.12Å; L96-M685 HydrophobicContact CD2-SD 3.51Å; L96-M685 VanDerWaalsContact CD2-SD 3.51Å; L96-M685 HydrophobicContact CG-CE 4.22Å; L96-M685 HydrophobicContact CG-SD 4.49Å; T97-M685 HydrophobicContact CG2-CE 4.1Å; L681-M685 HydrophobicContact CB-CB 3.69Å; L681-M685 VanDerWaalsContact CB-O 3.3Å; L681-M685 WeakPolarHBondContact CB-O 3.38Å; L681-M685 HydrophobicContact CB-SD 4.16Å; L681-M685 HydrophobicContact CD1-CB 4.33Å; L681-M685 WeakPolarHBondContact CD1-O 3.34Å; L681-M685 HydrophobicContact CD2-SD 4.43Å; R682-M685 HydrophobicContact CG-CB 4.12Å; R682-M685 HydrophobicContact CG-CG 3.71Å; R682-M685 HydrophobicContact CG-SD 3.69Å; R682-M685 PolarHBondContact O-N 3.31Å
686	R	62.7	Low	49.7	Very low	131 Å²	131	88.1 Å²	88.1	49%	0.494	43%	0.429	S	S	.	.			trans	-144	102.3	179.5	-66.8	-175.4	-165.8	-169.4	3.9	113.7	G195 L681 S684	G195-R686 VanDerWaalsContact CA-O 3.23Å; G195-R686 WeakPolarHBondContact CA-O 3.35Å; G195-R686 PolarHBondContact N-O 2.93Å; L681-R686 VanDerWaalsContact O-CZ 3.22Å; L681-R686 PolarHBondContact O-NE 3.36Å; L681-R686 PolarHBondContact O-NH2 3.42Å; S684-R686 PolarHBondContact O-N 3.18Å
687	N	44	Very low	51.3	Low	160 Å²	160	78.9 Å²	78.9	86%	0.856	39%	0.393	S	S	*	.			trans	-67.2	0	179.1	-41.4	32	0	0	0	115	K194	K194-N687 PolarHBondContact NZ-OXT 3.32Å

Retrieved 687 of 687 residues in 352 ms (Link to these results)

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