A0A093HFQ2_STRCA Loading...

bis(5'-adenosyl)-triphosphatase

Hydrolyzes extracellular Ap3A into AMP and ADP, and Ap4A into AMP and ATP. Ap3A and Ap4A are diadenosine polyphosphates thought to induce proliferation of vascular smooth muscle cells. Acts as a procoagulant, mediating platelet aggregation at the site of nascent thrombus via release of ADP from Ap3A and activation of ADP receptors.

AlphaFold DB , UniProt , Accession A0A093HFQ2, Species STRCA (Struthio camelus australis), Gene n/a, Length 451 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.3	Very low	37.6	Very low	234 Å²	234	157 Å²	157	100%	1.153	83%	0.829	S	S	*	*				0	51.5	0	-166.8	166.6	67.6	0	0	110.5
2	N	42.5	Very low	38	Very low	155 Å²	155	156.6 Å²	156.6	83%	0.829	83%	0.825	S	S	*	*			trans	-145.7	16.8	-176.7	-98	-7.1	0	0	0	112.8
3	L	34.3	Very low	38.3	Very low	155 Å²	155	154.2 Å²	154.2	81%	0.812	82%	0.82	S	S	*	*	S	Bend	trans	-120.9	-3.7	-177.8	-146.1	71.9	0	0	0	113.8
4	M	37.6	Very low	38.4	Very low	170 Å²	170	150.1 Å²	150.1	84%	0.837	82%	0.818	S	S	*	*	S	Bend	trans	-100.4	-0.6	179	-123.8	177.1	84.2	0	0	113.7
5	L	37.1	Very low	38.2	Very low	154 Å²	154	148.5 Å²	148.5	81%	0.806	82%	0.821	S	S	*	*	S	Bend	trans	-98.4	-10.8	178.5	-124.4	84.5	0	0	0	113.6
6	M	36.1	Very low	38.1	Very low	161 Å²	161	147.1 Å²	147.1	79%	0.793	82%	0.823	S	S	*	*	S	Bend	trans	-92.2	-9.8	-178.7	-98.4	-175	171.1	0	0	114.4
7	L	36.3	Very low	37.9	Very low	148 Å²	148	142.3 Å²	142.3	78%	0.775	81%	0.814	S	S	*	*	S	Bend	trans	-92.6	-5.4	179.3	-77.8	164.5	0	0	0	114.2
8	F	35.9	Very low	37.6	Very low	183 Å²	183	142.8 Å²	142.8	80%	0.803	81%	0.814	S	S	*	*	S	Bend	trans	-93.2	-6.2	176.9	-98.3	-81.8	0	0	0	114.6
9	F	38.7	Very low	37.4	Very low	188 Å²	188	141.1 Å²	141.1	83%	0.825	81%	0.811	S	S	*	*	S	Bend	trans	-111.4	-0.7	-178	-103.7	-86.4	0	0	0	115.7
10	S	34.8	Very low	37.4	Very low	109 Å²	109	139.9 Å²	139.9	76%	0.762	81%	0.807	S	S	*	*	S	Bend	trans	-101.1	4.2	176.3	-88.6	0	0	0	0	114.7
11	G	35	Very low	37.4	Very low	70 Å²	70	136.2 Å²	136.2	72%	0.722	80%	0.799	S	S	*	*	S	Bend	trans	-97.9	-0.1	-176.4	0	0	0	0	0	116.7
12	I	42	Very low	37.8	Very low	152 Å²	152	132.5 Å²	132.5	78%	0.779	78%	0.784	S	S	*	*	S	Bend	trans	-111.3	-4.7	-170.8	-63.8	178.6	0	0	0	113.9
13	V	42.1	Very low	39	Very low	126 Å²	126	130.4 Å²	130.4	76%	0.764	78%	0.779	S	S	*	*	S	Bend	trans	-105.8	3.7	-171.8	-171.9	0	0	0	0	114.4
14	A	39.4	Very low	41.3	Very low	96 Å²	96	126.2 Å²	126.2	79%	0.793	76%	0.757	S	S	*	*	S	Bend	trans	-113.7	31	-173.5	0	0	0	0	0	115.5
15	C	35.6	Very low	44	Very low	127 Å²	127	119.9 Å²	119.9	86%	0.858	73%	0.729	S	S	*	*			trans	-127	37.9	165.5	-78	0	0	0	0	111.9	G17	C15-G17 PolarHBondContact O-N 3.21Å; C15-G17 VanDerWaalsContact O-N 3.13Å
16	C	37.6	Very low	46.9	Very low	126 Å²	126	116 Å²	116	85%	0.851	70%	0.704	S	S	*	*			trans	-82.3	67.7	152.9	-67.6	0	0	0	0	107.6
17	G	34.7	Very low	49.9	Very low	65 Å²	65	108.3 Å²	108.3	67%	0.67	67%	0.666	S	S	*	*			trans	-58.3	136.6	164.6	0	0	0	0	0	108.5	C15 S19	C15-G17 PolarHBondContact O-N 3.21Å; C15-G17 VanDerWaalsContact O-N 3.13Å; G17-S19 PolarHBondContact O-N 3.44Å; G17-S19 VanDerWaalsContact O-N 3.12Å
18	N	31.3	Very low	52.8	Low	152 Å²	152	101.3 Å²	101.3	81%	0.813	63%	0.629	S	S	*	*			trans	-28	115.4	172	-87.4	-22.7	0	0	0	112.1	T20	N18-T20 PolarHBondContact O-N 3.12Å
19	S	34.1	Very low	55.8	Low	110 Å²	110	92.6 Å²	92.6	77%	0.769	59%	0.591	S	S	*	*			trans	-64	80.1	157.4	156.7	0	0	0	0	107.4	G17 G21	G17-S19 PolarHBondContact O-N 3.44Å; G17-S19 VanDerWaalsContact O-N 3.12Å; S19-G21 PolarHBondContact O-N 3.24Å; S19-G21 VanDerWaalsContact O-N 3.1Å
20	T	37.4	Very low	58.7	Low	117 Å²	117	83.6 Å²	83.6	72%	0.718	55%	0.551	S	S	*	*			trans	-51.2	113.5	145.3	47.9	0	0	0	0	104.8	N18 N22	N18-T20 PolarHBondContact O-N 3.12Å; T20-N22 PolarHBondContact O-N 3.34Å
21	G	37.7	Very low	61.8	Low	62 Å²	62	78.4 Å²	78.4	64%	0.639	52%	0.515	S	S	*	.			trans	-43	127.5	-170.8	0	0	0	0	0	110.8	S19 P23	S19-G21 PolarHBondContact O-N 3.24Å; S19-G21 VanDerWaalsContact O-N 3.1Å; G21-P23 VanDerWaalsContact O-N 3.07Å
22	N	53.8	Low	64.8	Low	157 Å²	157	75.1 Å²	75.1	84%	0.84	48%	0.481	S	S	*	.			trans	-47.5	121.6	-176.5	-118.3	-13.8	0	0	0	108.3	T20 L24	T20-N22 PolarHBondContact O-N 3.34Å; N22-L24 PolarHBondContact O-N 3.2Å
23	P	67	Low	67.5	Low	111 Å²	111	68 Å²	68	72%	0.721	44%	0.444	S	S	*	.			trans	-54.2	135.8	-177.8	18.1	-28.6	0	0	0	109	G21 S25	G21-P23 VanDerWaalsContact O-N 3.07Å; P23-S25 PolarHBondContact O-N 3.03Å
24	L	83.6	Confident	70.2	Confident	67 Å²	67	62 Å²	62	35%	0.351	41%	0.408	S	S	.	.			trans	-52.4	112.3	-177.4	-179.9	66.7	0	0	0	109.4	N22 R26 R127 P175	N22-L24 PolarHBondContact O-N 3.2Å; L24-R26 PolarHBondContact O-N 2.99Å; L24-R127 HydrophobicContact CD1-CG 4.47Å; L24-P175 HydrophobicContact CD2-CB 4.17Å; L24-P175 HydrophobicContact CD2-CG 4.26Å
25	S	94.1	Very high	73	Confident	37 Å²	37	57.4 Å²	57.4	26%	0.259	37%	0.371	S	S	.	.			trans	-62.1	130.8	176.6	-175.8	0	0	0	0	109.3	P23 N229 I375 L376	P23-S25 PolarHBondContact O-N 3.03Å; S25-N229 PolarHBondContact OG-ND2 3.05Å; S25-I375 WeakPolarHBondContact CB-O 3.32Å; S25-I375 PolarHBondContact OG-O 2.94Å; S25-L376 WeakPolarHBondContact O-CD2 3.39Å
26	R	97.2	Very high	76	Confident	72 Å²	72	52.5 Å²	52.5	27%	0.272	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.7	-178.9	-73.2	-179.8	-93	170	-0.3	109.8	L24 S177 V228 N229	L24-R26 PolarHBondContact O-N 2.99Å; R26-S177 CarbonylContact C-O 3.44Å; R26-S177 VanDerWaalsContact CA-O 3.28Å; R26-S177 WeakPolarHBondContact CA-O 3.42Å; R26-V228 HydrophobicContact CB-CB 4.45Å; R26-V228 HydrophobicContact CB-CG1 4.38Å; R26-V228 HydrophobicContact CB-CG2 3.98Å; R26-N229 WeakPolarHBondContact O-CB 3.32Å; R26-N229 PolarHBondContact O-N 3.02Å; R26-N229 PolarHBondContact O-ND2 3.24Å
27	L	98.8	Very high	78.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	129.1	-178.9	-179.6	67.7	0	0	0	111	S177 F178 A179 N229 I231 M372 I375 L376	L27-S177 PolarHBondContact N-O 3.25Å; L27-F178 HydrophobicContact CB-CD2 4.28Å; L27-F178 HydrophobicContact CD2-CD2 4.08Å; L27-F178 HydrophobicContact CD2-CE2 4.08Å; L27-F178 HydrophobicContact CG-CD2 4.3Å; L27-F178 HydrophobicContact CG-CE2 4.45Å; L27-F178 CarbonylContact O-C 3.2Å; L27-F178 WeakPolarHBondContact O-CA 3.47Å; L27-A179 PolarHBondContact O-N 3.33Å; L27-N229 CarbonylContact C-O 3.54Å; L27-N229 VanDerWaalsContact CA-O 3.27Å; L27-N229 WeakPolarHBondContact CA-O 3.34Å; L27-N229 HydrophobicContact CD1-CB 3.63Å; L27-I231 HydrophobicContact CD1-CD1 3.79Å; L27-I231 HydrophobicContact CD1-CG1 3.97Å; L27-I231 HydrophobicContact CD2-CD1 4.45Å; L27-M372 HydrophobicContact CD2-CB 3.6Å; L27-M372 HydrophobicContact CD2-CG 3.58Å; L27-M372 HydrophobicContact CD2-SD 3.92Å; L27-I375 HydrophobicContact CD1-CD1 4.49Å; L27-I375 HydrophobicContact CD1-CG2 4.47Å; L27-L376 HydrophobicContact CB-CD2 3.78Å; L27-L376 HydrophobicContact CB-CG 4.19Å; L27-L376 HydrophobicContact CD2-CD1 4.21Å; L27-L376 HydrophobicContact CD2-CG 4.29Å
28	L	98.9	Very high	81.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.8	169.6	172.5	59.9	0	0	0	109.1	V30 I165 L169 A179 L181 L215 V228 N229 V230 I231	L28-V30 HydrophobicContact CD1-CG2 4.24Å; L28-V30 HydrophobicContact CD2-CG2 4.04Å; L28-V30 HydrophobicContact CG-CG2 3.76Å; L28-I165 HydrophobicContact CD1-CG2 3.71Å; L28-I165 HydrophobicContact CD2-CG2 4.08Å; L28-L169 HydrophobicContact CB-CD1 4.41Å; L28-L169 HydrophobicContact CD2-CD1 4.37Å; L28-A179 CarbonylContact C-O 3.53Å; L28-A179 WeakPolarHBondContact CA-O 3.36Å; L28-A179 HydrophobicContact CD1-CB 3.75Å; L28-L181 HydrophobicContact CD1-CB 4.26Å; L28-L215 HydrophobicContact CD2-CD1 4.04Å; L28-L215 HydrophobicContact CD2-CD2 4.41Å; L28-V228 HydrophobicContact CB-CG1 4.1Å; L28-N229 PolarHBondContact N-O 3.29Å; L28-V230 HydrophobicContact CB-CG2 4.48Å; L28-V230 HydrophobicContact CD2-CG1 4.49Å; L28-V230 CarbonylContact O-C 3.54Å; L28-V230 WeakPolarHBondContact O-CA 3.41Å; L28-I231 PolarHBondContact O-N 2.99Å
29	L	98.9	Very high	85.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.7	172	177.5	66.6	0	0	0	109.6	I76 V77 W134 F178 A179 T180 L181 I231 T233 M372	L29-I76 HydrophobicContact CD1-CG2 4.48Å; L29-I76 HydrophobicContact CD2-CG2 3.83Å; L29-V77 HydrophobicContact CD2-CG1 3.98Å; L29-W134 HydrophobicContact CD1-CH2 4.31Å; L29-W134 HydrophobicContact CD2-CE3 4.42Å; L29-W134 HydrophobicContact CD2-CH2 3.27Å; L29-W134 HydrophobicContact CD2-CZ2 3.69Å; L29-W134 HydrophobicContact CD2-CZ3 3.67Å; L29-W134 HydrophobicContact CG-CH2 3.58Å; L29-W134 HydrophobicContact CG-CZ2 4.47Å; L29-W134 HydrophobicContact CG-CZ3 3.61Å; L29-F178 HydrophobicContact CB-CE2 4.31Å; L29-F178 HydrophobicContact CB-CZ 4.46Å; L29-A179 PolarHBondContact N-O 3.34Å; L29-T180 HydrophobicContact CB-CG2 4.35Å; L29-T180 HydrophobicContact CD2-CG2 4.37Å; L29-T180 CarbonylContact O-C 3.45Å; L29-T180 VanDerWaalsContact O-CA 3.25Å; L29-T180 WeakPolarHBondContact O-CA 3.33Å; L29-L181 PolarHBondContact O-N 3.24Å; L29-I231 HydrophobicContact CD1-CB 3.93Å; L29-I231 HydrophobicContact CD1-CG2 3.75Å; L29-T233 HydrophobicContact CD1-CG2 4Å; L29-M372 HydrophobicContact CB-SD 4.38Å; L29-M372 HydrophobicContact CD1-SD 4.26Å; L29-M372 HydrophobicContact CD2-CE 4.17Å; L29-M372 HydrophobicContact CD2-SD 3.86Å; L29-M372 HydrophobicContact CG-SD 4.4Å
30	V	98.9	Very high	88.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.8	-178.8	-170.3	0	0	0	0	109	L28 F32 L181 L215 V230 I231 I232 T233	L28-V30 HydrophobicContact CD1-CG2 4.24Å; L28-V30 HydrophobicContact CD2-CG2 4.04Å; L28-V30 HydrophobicContact CG-CG2 3.76Å; V30-F32 HydrophobicContact CG1-CD2 4.18Å; V30-F32 HydrophobicContact CG1-CE2 3.7Å; V30-F32 HydrophobicContact CG1-CZ 4.28Å; V30-L181 CarbonylContact C-O 3.42Å; V30-L181 VanDerWaalsContact CA-O 3.31Å; V30-L181 WeakPolarHBondContact CA-O 3.36Å; V30-L181 HydrophobicContact CG1-CB 4.33Å; V30-L181 HydrophobicContact CG1-CD2 4.06Å; V30-L181 HydrophobicContact CG1-CG 4.2Å; V30-L181 HydrophobicContact CG2-CB 4.35Å; V30-L181 HydrophobicContact CG2-CD2 4.43Å; V30-L215 HydrophobicContact CG2-CD2 3.84Å; V30-V230 HydrophobicContact CG2-CG1 4.24Å; V30-I231 PolarHBondContact N-O 3.47Å; V30-I232 HydrophobicContact CB-CG1 4.23Å; V30-I232 WeakPolarHBondContact O-CA 3.49Å; V30-T233 PolarHBondContact O-N 2.85Å
31	S	98.9	Very high	90.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.2	173.1	-172	0	0	0	0	110.7	H73 W134 L181 W183 T233	S31-H73 VanDerWaalsContact CB-NE2 3.34Å; S31-H73 WeakPolarHBondContact CB-NE2 3.3Å; S31-H73 PolarHBondContact OG-NE2 3.21Å; S31-W134 VanDerWaalsContact CB-CZ3 3.42Å; S31-L181 PolarHBondContact N-O 3.47Å; S31-W183 PolarHBondContact O-N 2.88Å; S31-T233 WeakPolarHBondContact CA-O 3.45Å
32	F	98.9	Very high	93.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107.9	165.2	-71	-85.8	0	0	0	107.3	V30 F35 F158 W183 V208 H211 I212 I232 T233 S234	V30-F32 HydrophobicContact CG1-CD2 4.18Å; V30-F32 HydrophobicContact CG1-CE2 3.7Å; V30-F32 HydrophobicContact CG1-CZ 4.28Å; F32-F35 HydrophobicContact CB-CB 4.2Å; F32-F35 HydrophobicContact CB-CD1 3.82Å; F32-F35 HydrophobicContact CG-CD1 4.36Å; F32-F35 WeakPolarHBondContact O-CB 3.45Å; F32-F35 PolarHBondContact O-N 2.98Å; F32-F158 AromaticContact CE1-CE2 3.87Å; F32-F158 HydrophobicContact CE1-CE2 3.87Å; F32-F158 HydrophobicContact CE1-CZ 4.22Å; F32-F158 AromaticContact CZ-CE2 3.91Å; F32-F158 HydrophobicContact CZ-CE2 3.91Å; F32-F158 AromaticContact CZ-CZ 3.89Å; F32-F158 HydrophobicContact CZ-CZ 3.89Å; F32-W183 HydrophobicContact CD1-CB 3.93Å; F32-W183 AromaticContact CD1-CD1 3.8Å; F32-W183 HydrophobicContact CD1-CG 4.21Å; F32-W183 HydrophobicContact CE1-CB 4.16Å; F32-W183 HydrophobicContact CE1-CG 4.3Å; F32-V208 HydrophobicContact CD1-CG1 3.63Å; F32-V208 HydrophobicContact CD1-CG2 4.47Å; F32-V208 HydrophobicContact CE1-CG1 3.88Å; F32-V208 HydrophobicContact CG-CG1 4.09Å; F32-H211 HydrophobicContact CE1-CB 4.2Å; F32-H211 HydrophobicContact CZ-CB 4.44Å; F32-I212 HydrophobicContact CE2-CD1 4.07Å; F32-I212 HydrophobicContact CE2-CG1 3.63Å; F32-I212 HydrophobicContact CZ-CD1 4.31Å; F32-I212 HydrophobicContact CZ-CG1 3.57Å; F32-I232 HydrophobicContact CD2-CG2 3.81Å; F32-I232 HydrophobicContact CE2-CG2 3.91Å; F32-T233 PolarHBondContact N-O 3.37Å; F32-T233 VanDerWaalsContact N-O 3.09Å; F32-S234 WeakPolarHBondContact O-CB 3.34Å; F32-S234 PolarHBondContact O-OG 3.03Å
33	D	98.9	Very high	95.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.011	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	135.7	-171.7	-159.8	-45.4	0	0	0	111.7	F35 T69 H73 Y182 W183 E185 P186 D187 H236	D33-F35 VanDerWaalsContact C-N 3.26Å; D33-F35 PolarHBondContact O-N 2.94Å; D33-T69 WeakPolarHBondContact OD2-CG2 3.35Å; D33-H73 IonicContact OD2-CE1 2.63Å; D33-Y182 HydrophobicContact CB-CE2 3.8Å; D33-Y182 WeakPolarHBondContact OD2-CE2 3.25Å; D33-Y182 PolarHBondContact OD2-OH 3.47Å; D33-Y182 VanDerWaalsContact OD2-OH 3.07Å; D33-W183 WeakPolarHBondContact CB-O 3.49Å; D33-W183 PolarHBondContact N-O 3.35Å; D33-E185 CarbonylContact O-C 3.52Å; D33-P186 WeakPolarHBondContact O-CD 3.45Å; D33-P186 VanDerWaalsContact O-N 3.08Å; D33-D187 HydrophobicContact CB-CB 3.76Å; D33-D187 WeakPolarHBondContact O-CB 3.19Å; D33-D187 PolarHBondContact O-N 3.25Å; D33-D187 WeakPolarHBondContact OD1-CB 3.16Å; D33-H236 IonicContact OD1-CE1 3.72Å; D33-H236 PolarHBondContact OD1-CE1 3.16Å; D33-H236 IonicContact OD1-NE2 2.68Å; D33-H236 PolarHBondContact OD1-NE2 2.99Å
34	G	98.7	Very high	97.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	17.6	175.6	0	0	0	0	0	115.7	R36 S234 D235 H236	G34-R36 PolarHBondContact O-N 2.83Å; G34-S234 PolarHBondContact N-OG 2.82Å; G34-S234 VanDerWaalsContact N-OG 3.14Å; G34-D235 PolarHBondContact N-OD1 3.25Å; G34-D235 VanDerWaalsContact N-OD1 3.09Å; G34-H236 CarbonylContact C-O 3.54Å; G34-H236 VanDerWaalsContact C-O 3.32Å; G34-H236 VanDerWaalsContact CA-O 3.28Å; G34-H236 WeakPolarHBondContact CA-O 3.49Å
35	F	98.7	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.			trans	-77.6	84.2	179.1	-155.3	158.7	0	0	0	111.4	F32 D33 Y39 L45 L48 P186 L205 V208 S234 H236 F346	F32-F35 HydrophobicContact CB-CB 4.2Å; F32-F35 HydrophobicContact CB-CD1 3.82Å; F32-F35 HydrophobicContact CG-CD1 4.36Å; F32-F35 WeakPolarHBondContact O-CB 3.45Å; F32-F35 PolarHBondContact O-N 2.98Å; D33-F35 VanDerWaalsContact C-N 3.26Å; D33-F35 PolarHBondContact O-N 2.94Å; F35-Y39 AromaticContact CD2-CD2 3.79Å; F35-Y39 HydrophobicContact CD2-CD2 3.79Å; F35-Y39 HydrophobicContact CD2-CG 4.43Å; F35-Y39 HydrophobicContact CE2-CD2 4.07Å; F35-Y39 HydrophobicContact CE2-CG 4.41Å; F35-L45 HydrophobicContact CE2-CD1 4.26Å; F35-L45 HydrophobicContact CZ-CD1 3.8Å; F35-L48 HydrophobicContact CE1-CD2 4.23Å; F35-L48 HydrophobicContact CZ-CD2 4.04Å; F35-P186 HydrophobicContact CB-CG 3.99Å; F35-P186 HydrophobicContact CD2-CG 4.46Å; F35-P186 HydrophobicContact CG-CG 4.11Å; F35-L205 HydrophobicContact CE2-CD1 4.12Å; F35-V208 HydrophobicContact CD1-CG1 3.99Å; F35-V208 HydrophobicContact CE1-CG1 3.55Å; F35-V208 HydrophobicContact CZ-CG1 4.42Å; F35-S234 PolarHBondContact N-OG 2.92Å; F35-H236 PolarHBondContact N-O 2.92Å; F35-F346 HydrophobicContact CB-CE1 4.27Å; F35-F346 AromaticContact CD1-CE1 3.76Å; F35-F346 HydrophobicContact CD1-CE1 3.76Å; F35-F346 HydrophobicContact CD1-CZ 4.19Å; F35-F346 HydrophobicContact CD2-CD1 4.34Å; F35-F346 AromaticContact CD2-CE1 3.71Å; F35-F346 HydrophobicContact CD2-CE1 3.71Å; F35-F346 AromaticContact CE1-CE1 3.95Å; F35-F346 HydrophobicContact CE1-CE1 3.95Å; F35-F346 HydrophobicContact CE1-CZ 4.16Å; F35-F346 AromaticContact CE2-CE1 3.92Å; F35-F346 HydrophobicContact CE2-CE1 3.92Å; F35-F346 AromaticContact CG-CE1 3.65Å; F35-F346 HydrophobicContact CG-CE1 3.65Å; F35-F346 HydrophobicContact CZ-CE1 4.05Å; F35-F346 HydrophobicContact CZ-CZ 4.46Å
36	R	98.3	Very high	98.1	Very high	24 Å²	24	35.2 Å²	35.2	9%	0.091	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-56.9	136	177.9	-158.8	170.1	79	175.8	8.3	112.7	G34 D38 Y39 M238 S342	G34-R36 PolarHBondContact O-N 2.83Å; R36-D38 VanDerWaalsContact C-N 3.33Å; R36-D38 VanDerWaalsContact CG-OD1 3.31Å; R36-D38 WeakPolarHBondContact CG-OD1 3.28Å; R36-D38 IonicContact CZ-OD1 3.78Å; R36-D38 IonicContact CZ-OD2 3.16Å; R36-D38 IonicContact NE-OD1 3.89Å; R36-D38 PolarHBondContact NE-OD1 2.93Å; R36-D38 IonicContact NE-OD2 3.4Å; R36-D38 PolarHBondContact NE-OD2 3.24Å; R36-D38 IonicContact NH2-OD1 3.85Å; R36-D38 PolarHBondContact NH2-OD1 3.3Å; R36-D38 IonicContact NH2-OD2 3.55Å; R36-D38 PolarHBondContact NH2-OD2 3.48Å; R36-D38 PolarHBondContact O-N 2.95Å; R36-Y39 HydrophobicContact CB-CD1 4.16Å; R36-Y39 HydrophobicContact CB-CD2 3.97Å; R36-Y39 HydrophobicContact CB-CE1 4.04Å; R36-Y39 HydrophobicContact CB-CE2 3.82Å; R36-Y39 HydrophobicContact CB-CG 4.14Å; R36-Y39 VanDerWaalsContact O-CB 3.24Å; R36-Y39 WeakPolarHBondContact O-CB 3.32Å; R36-Y39 PolarHBondContact O-N 3.44Å; R36-Y39 VanDerWaalsContact O-N 3.14Å; R36-M238 VanDerWaalsContact CD-O 3.28Å; R36-M238 WeakPolarHBondContact CD-O 3.1Å; R36-M238 PolarHBondContact NH1-O 3.45Å; R36-S342 WeakPolarHBondContact CD-O 3.24Å; R36-S342 WeakPolarHBondContact CG-O 3.28Å
37	A	98.3	Very high	98.2	Very high	12 Å²	12	34.8 Å²	34.8	10%	0.099	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-36	-173.8	0	0	0	0	0	115.2	Y39 L40 R59 H344 F346	A37-Y39 PolarHBondContact O-N 2.88Å; A37-L40 WeakPolarHBondContact O-CB 3.3Å; A37-L40 WeakPolarHBondContact O-CG 3.42Å; A37-L40 PolarHBondContact O-N 3.25Å; A37-R59 WeakPolarHBondContact CB-O 3.46Å; A37-H344 VanDerWaalsContact CB-O 3.26Å; A37-H344 WeakPolarHBondContact CB-O 3.45Å; A37-H344 PolarHBondContact N-O 3.24Å; A37-F346 HydrophobicContact CB-CB 4.34Å
38	D	97.3	Very high	98.2	Very high	60 Å²	60	34.9 Å²	34.9	32%	0.321	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.5	-178.1	70.4	-23.2	0	0	0	113	R36 L40 K41 T42	R36-D38 VanDerWaalsContact C-N 3.33Å; R36-D38 VanDerWaalsContact CG-OD1 3.31Å; R36-D38 WeakPolarHBondContact CG-OD1 3.28Å; R36-D38 IonicContact CZ-OD1 3.78Å; R36-D38 IonicContact CZ-OD2 3.16Å; R36-D38 IonicContact NE-OD1 3.89Å; R36-D38 PolarHBondContact NE-OD1 2.93Å; R36-D38 IonicContact NE-OD2 3.4Å; R36-D38 PolarHBondContact NE-OD2 3.24Å; R36-D38 IonicContact NH2-OD1 3.85Å; R36-D38 PolarHBondContact NH2-OD1 3.3Å; R36-D38 IonicContact NH2-OD2 3.55Å; R36-D38 PolarHBondContact NH2-OD2 3.48Å; R36-D38 PolarHBondContact O-N 2.95Å; D38-L40 PolarHBondContact O-N 2.99Å; D38-K41 WeakPolarHBondContact O-CB 3.39Å; D38-K41 PolarHBondContact O-N 2.98Å; D38-T42 PolarHBondContact O-N 2.73Å; D38-T42 PolarHBondContact O-OG1 3.39Å
39	Y	98.4	Very high	98.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-59.5	-28.7	173.6	-68.1	-7.9	0	0	0	112.5	F35 R36 A37 K41 T42 Y43 P186 P195 M201 L205	F35-Y39 AromaticContact CD2-CD2 3.79Å; F35-Y39 HydrophobicContact CD2-CD2 3.79Å; F35-Y39 HydrophobicContact CD2-CG 4.43Å; F35-Y39 HydrophobicContact CE2-CD2 4.07Å; F35-Y39 HydrophobicContact CE2-CG 4.41Å; R36-Y39 HydrophobicContact CB-CD1 4.16Å; R36-Y39 HydrophobicContact CB-CD2 3.97Å; R36-Y39 HydrophobicContact CB-CE1 4.04Å; R36-Y39 HydrophobicContact CB-CE2 3.82Å; R36-Y39 HydrophobicContact CB-CG 4.14Å; R36-Y39 VanDerWaalsContact O-CB 3.24Å; R36-Y39 WeakPolarHBondContact O-CB 3.32Å; R36-Y39 PolarHBondContact O-N 3.44Å; R36-Y39 VanDerWaalsContact O-N 3.14Å; A37-Y39 PolarHBondContact O-N 2.88Å; Y39-K41 PolarHBondContact O-N 3.31Å; Y39-K41 VanDerWaalsContact O-N 3.13Å; Y39-T42 PolarHBondContact O-N 2.97Å; Y39-Y43 HydrophobicContact CD1-CD2 4.19Å; Y39-Y43 AromaticContact CD1-CE2 3.65Å; Y39-Y43 HydrophobicContact CD1-CE2 3.65Å; Y39-Y43 HydrophobicContact CE1-CE2 4.14Å; Y39-Y43 HydrophobicContact CG-CD2 4.13Å; Y39-Y43 AromaticContact CG-CE2 3.94Å; Y39-Y43 HydrophobicContact CG-CE2 3.94Å; Y39-Y43 PolarHBondContact O-N 3.26Å; Y39-P186 HydrophobicContact CE2-CG 4.31Å; Y39-P195 VanDerWaalsContact OH-CB 3.23Å; Y39-P195 WeakPolarHBondContact OH-CB 3.02Å; Y39-M201 HydrophobicContact CE2-CE 4.47Å; Y39-L205 HydrophobicContact CD2-CD1 3.61Å; Y39-L205 HydrophobicContact CD2-CD2 4.29Å; Y39-L205 HydrophobicContact CE2-CD1 4.45Å; Y39-L205 HydrophobicContact CG-CD1 3.74Å
40	L	97.3	Very high	98.1	Very high	36 Å²	36	43.7 Å²	43.7	19%	0.188	22%	0.217	C	C	.	.	H	α-helix	trans	-58.2	-23.4	172.1	-61.3	-178.6	0	0	0	113.7	A37 D38 L45 L48 L57 F346	A37-L40 WeakPolarHBondContact O-CB 3.3Å; A37-L40 WeakPolarHBondContact O-CG 3.42Å; A37-L40 PolarHBondContact O-N 3.25Å; D38-L40 PolarHBondContact O-N 2.99Å; L40-L45 HydrophobicContact CD2-CD1 4.22Å; L40-L48 HydrophobicContact CD2-CD2 3.39Å; L40-L48 HydrophobicContact CD2-CG 4.28Å; L40-L57 HydrophobicContact CD1-CD1 3.86Å; L40-F346 HydrophobicContact CD1-CB 3.73Å; L40-F346 HydrophobicContact CD1-CD1 4.06Å; L40-F346 HydrophobicContact CD1-CD2 3.98Å; L40-F346 HydrophobicContact CD1-CG 3.64Å; L40-F346 HydrophobicContact CD2-CD1 4.06Å; L40-F346 HydrophobicContact CD2-CD2 4.38Å; L40-F346 HydrophobicContact CD2-CE1 3.97Å; L40-F346 HydrophobicContact CD2-CE2 4.31Å; L40-F346 HydrophobicContact CD2-CG 4.28Å; L40-F346 HydrophobicContact CD2-CZ 4.11Å; L40-F346 HydrophobicContact CG-CD1 4.08Å; L40-F346 HydrophobicContact CG-CE1 4.46Å; L40-F346 HydrophobicContact CG-CG 4.18Å
41	K	96	Very high	98	Very high	181 Å²	181	43.9 Å²	43.9	79%	0.787	22%	0.218	S	C	*	.	H	α-helix	trans	-102.2	-32.8	178.2	-59.3	179.6	-171.2	174.5	0	112	D38 Y39	D38-K41 WeakPolarHBondContact O-CB 3.39Å; D38-K41 PolarHBondContact O-N 2.98Å; Y39-K41 PolarHBondContact O-N 3.31Å; Y39-K41 VanDerWaalsContact O-N 3.13Å
42	T	96.2	Very high	97.9	Very high	79 Å²	79	44.6 Å²	44.6	49%	0.485	22%	0.222	S	C	.	.	H	α-helix	trans	-78.8	-29.1	-174.6	-59.9	0	0	0	0	112.6	D38 Y39	D38-T42 PolarHBondContact O-N 2.73Å; D38-T42 PolarHBondContact O-OG1 3.39Å; Y39-T42 PolarHBondContact O-N 2.97Å
43	Y	97.9	Very high	97.8	Very high	16 Å²	16	51.2 Å²	51.2	6%	0.063	25%	0.252	C	S	.	.	S	Bend	trans	-121.5	149.6	-175.1	-57.4	-84.1	0	0	0	111.6	Y39 M201 R202 L205	Y39-Y43 HydrophobicContact CD1-CD2 4.19Å; Y39-Y43 AromaticContact CD1-CE2 3.65Å; Y39-Y43 HydrophobicContact CD1-CE2 3.65Å; Y39-Y43 HydrophobicContact CE1-CE2 4.14Å; Y39-Y43 HydrophobicContact CG-CD2 4.13Å; Y39-Y43 AromaticContact CG-CE2 3.94Å; Y39-Y43 HydrophobicContact CG-CE2 3.94Å; Y39-Y43 PolarHBondContact O-N 3.26Å; Y43-M201 HydrophobicContact CE1-CB 4.37Å; Y43-M201 VanDerWaalsContact OH-CB 3.25Å; Y43-M201 WeakPolarHBondContact OH-CB 3.48Å; Y43-R202 HydrophobicContact CD1-CB 4.04Å; Y43-R202 HydrophobicContact CD1-CG 4.36Å; Y43-R202 HydrophobicContact CE1-CB 3.92Å; Y43-L205 HydrophobicContact CD1-CD1 4.49Å; Y43-L205 HydrophobicContact CD2-CD1 3.25Å; Y43-L205 HydrophobicContact CD2-CG 4.15Å; Y43-L205 HydrophobicContact CE2-CD1 3.69Å; Y43-L205 HydrophobicContact CE2-CG 4.36Å; Y43-L205 HydrophobicContact CG-CB 4.36Å; Y43-L205 HydrophobicContact CG-CD1 3.7Å; Y43-L205 HydrophobicContact CG-CG 4.29Å
44	E	97.6	Very high	97.5	Very high	173 Å²	173	53.5 Å²	53.5	81%	0.808	27%	0.265	S	S	*	.			trans	-81.3	118	171.8	-67.2	180	-178.9	0	0	108.7
45	L	98.5	Very high	97.5	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	26%	0.264	C	S	.	.			trans	-131.3	68.8	-173.4	-57.4	172.4	0	0	0	108.7	F35 L40 H47 L48 Q49 L205 D209	F35-L45 HydrophobicContact CE2-CD1 4.26Å; F35-L45 HydrophobicContact CZ-CD1 3.8Å; L40-L45 HydrophobicContact CD2-CD1 4.22Å; L45-H47 VanDerWaalsContact C-N 3.32Å; L45-H47 PolarHBondContact O-N 3.49Å; L45-L48 HydrophobicContact CB-CB 4.09Å; L45-L48 HydrophobicContact CD1-CD2 4.12Å; L45-L48 PolarHBondContact O-N 3.44Å; L45-Q49 WeakPolarHBondContact O-CB 3.32Å; L45-Q49 WeakPolarHBondContact O-CG 3.38Å; L45-Q49 PolarHBondContact O-N 3.44Å; L45-L205 HydrophobicContact CD2-CB 3.95Å; L45-D209 WeakPolarHBondContact CA-OD1 3.42Å; L45-D209 HydrophobicContact CB-CB 4.41Å; L45-D209 WeakPolarHBondContact CB-OD1 3.41Å; L45-D209 HydrophobicContact CD2-CB 3.89Å
46	P	98.4	Very high	97.4	Very high	77 Å²	77	53.4 Å²	53.4	50%	0.5	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-37.5	-170	22.6	-34.5	0	0	0	113.6	Q49 E50 D209	P46-Q49 PolarHBondContact O-N 2.91Å; P46-E50 PolarHBondContact O-N 2.99Å; P46-D209 WeakPolarHBondContact CD-OD2 3.35Å; P46-D209 WeakPolarHBondContact CG-OD2 3.42Å
47	H	98.7	Very high	97.5	Very high	64 Å²	64	53 Å²	53	30%	0.296	26%	0.264	S	S	.	.	H	α-helix	trans	-70.5	-41.2	179.3	-66.1	-58.9	0	0	0	112.1	L45 Q49 E50 F51 D209 I212	L45-H47 VanDerWaalsContact C-N 3.32Å; L45-H47 PolarHBondContact O-N 3.49Å; H47-Q49 VanDerWaalsContact C-N 3.33Å; H47-E50 PolarHBondContact O-N 2.85Å; H47-F51 WeakPolarHBondContact O-CB 3.24Å; H47-F51 PolarHBondContact O-N 2.83Å; H47-D209 WeakPolarHBondContact CB-O 3.36Å; H47-D209 WeakPolarHBondContact CB-OD2 3.29Å; H47-D209 PolarHBondContact CD2-O 3.42Å; H47-D209 IonicContact CD2-OD2 3.07Å; H47-D209 PolarHBondContact CD2-OD2 2.95Å; H47-D209 VanDerWaalsContact CD2-OD2 3.29Å; H47-D209 IonicContact CG-OD2 3.42Å; H47-D209 PolarHBondContact N-OD1 3.49Å; H47-D209 PolarHBondContact N-OD2 2.91Å; H47-I212 HydrophobicContact CB-CG2 4.39Å
48	L	98.6	Very high	97.5	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-68.2	-33.7	173.6	-178.3	54.6	0	0	0	112	F35 L40 L45 F51 I52 D209 I212 F346 A348	F35-L48 HydrophobicContact CE1-CD2 4.23Å; F35-L48 HydrophobicContact CZ-CD2 4.04Å; L40-L48 HydrophobicContact CD2-CD2 3.39Å; L40-L48 HydrophobicContact CD2-CG 4.28Å; L45-L48 HydrophobicContact CB-CB 4.09Å; L45-L48 HydrophobicContact CD1-CD2 4.12Å; L45-L48 PolarHBondContact O-N 3.44Å; L48-F51 HydrophobicContact CD1-CD1 4.4Å; L48-F51 WeakPolarHBondContact O-CB 3.48Å; L48-F51 PolarHBondContact O-N 3.47Å; L48-I52 HydrophobicContact CD1-CD1 4.07Å; L48-I52 HydrophobicContact CD1-CG1 4.26Å; L48-I52 HydrophobicContact CG-CD1 3.91Å; L48-I52 WeakPolarHBondContact O-CB 3.32Å; L48-I52 WeakPolarHBondContact O-CD1 3.22Å; L48-I52 VanDerWaalsContact O-CG1 3.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.38Å; L48-I52 PolarHBondContact O-N 2.96Å; L48-D209 WeakPolarHBondContact CB-OD1 3.31Å; L48-D209 PolarHBondContact N-OD1 3.5Å; L48-I212 HydrophobicContact CB-CD1 3.99Å; L48-I212 HydrophobicContact CD1-CD1 4.2Å; L48-I212 HydrophobicContact CD2-CD1 4.18Å; L48-I212 HydrophobicContact CG-CD1 4.34Å; L48-F346 HydrophobicContact CD1-CE2 4.19Å; L48-F346 HydrophobicContact CD1-CZ 4.35Å; L48-F346 HydrophobicContact CD2-CE1 4.38Å; L48-F346 HydrophobicContact CD2-CE2 4.13Å; L48-F346 HydrophobicContact CD2-CZ 3.67Å; L48-A348 HydrophobicContact CD1-CB 4.19Å
49	Q	97.9	Very high	97.5	Very high	90 Å²	90	55.1 Å²	55.1	42%	0.421	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-47.6	173.6	-75	171.4	8.6	0	0	111.3	L45 P46 H47 F51 I52 E53	L45-Q49 WeakPolarHBondContact O-CB 3.32Å; L45-Q49 WeakPolarHBondContact O-CG 3.38Å; L45-Q49 PolarHBondContact O-N 3.44Å; P46-Q49 PolarHBondContact O-N 2.91Å; H47-Q49 VanDerWaalsContact C-N 3.33Å; Q49-F51 VanDerWaalsContact C-N 3.31Å; Q49-F51 PolarHBondContact O-N 3.47Å; Q49-I52 PolarHBondContact O-N 3.13Å; Q49-I52 VanDerWaalsContact O-N 3.15Å; Q49-E53 WeakPolarHBondContact O-CG 3.42Å; Q49-E53 PolarHBondContact O-N 2.98Å
50	E	97.1	Very high	97.5	Very high	96 Å²	96	56.5 Å²	56.5	45%	0.449	27%	0.271	S	S	.	.	H	α-helix	trans	-57.1	-45.2	173.7	-173.8	-170.5	153.1	0	0	111.1	P46 H47 I52 E53 D54 K220	P46-E50 PolarHBondContact O-N 2.99Å; H47-E50 PolarHBondContact O-N 2.85Å; E50-I52 VanDerWaalsContact C-N 3.3Å; E50-I52 PolarHBondContact O-N 2.97Å; E50-E53 PolarHBondContact O-N 2.91Å; E50-D54 PolarHBondContact O-N 3.27Å; E50-K220 IonicContact OE1-NZ 3.64Å; E50-K220 PolarHBondContact OE1-NZ 2.77Å
51	F	98.2	Very high	97.6	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.013	26%	0.262	C	S	.	.	H	α-helix	trans	-58.1	-41.2	176.7	-176.7	-80.2	0	0	0	112.4	H47 L48 Q49 W225 V230 I232 A348 H350	H47-F51 WeakPolarHBondContact O-CB 3.24Å; H47-F51 PolarHBondContact O-N 2.83Å; L48-F51 HydrophobicContact CD1-CD1 4.4Å; L48-F51 WeakPolarHBondContact O-CB 3.48Å; L48-F51 PolarHBondContact O-N 3.47Å; Q49-F51 VanDerWaalsContact C-N 3.31Å; Q49-F51 PolarHBondContact O-N 3.47Å; F51-W225 AromaticContact CD2-CH2 3.61Å; F51-W225 HydrophobicContact CD2-CH2 3.61Å; F51-W225 HydrophobicContact CD2-CZ3 4.2Å; F51-W225 AromaticContact CE2-CH2 3.92Å; F51-W225 HydrophobicContact CE2-CH2 3.92Å; F51-W225 HydrophobicContact CE2-CZ3 4.2Å; F51-V230 HydrophobicContact CE2-CB 4.04Å; F51-V230 HydrophobicContact CE2-CG1 3.9Å; F51-V230 HydrophobicContact CZ-CB 4.01Å; F51-V230 HydrophobicContact CZ-CG1 3.94Å; F51-I232 HydrophobicContact CD1-CD1 4.2Å; F51-I232 HydrophobicContact CD2-CD1 3.87Å; F51-I232 HydrophobicContact CE1-CD1 4.02Å; F51-I232 HydrophobicContact CE1-CG1 4.22Å; F51-I232 HydrophobicContact CE2-CD1 3.71Å; F51-I232 HydrophobicContact CE2-CG1 4.24Å; F51-I232 HydrophobicContact CG-CD1 4.16Å; F51-I232 HydrophobicContact CZ-CD1 3.78Å; F51-I232 HydrophobicContact CZ-CG1 3.91Å; F51-A348 HydrophobicContact CD1-CB 3.89Å; F51-A348 HydrophobicContact CE1-CB 3.81Å; F51-H350 HydrophobicContact CD1-CB 4.49Å; F51-H350 HydrophobicContact CD2-CB 4.3Å; F51-H350 HydrophobicContact CE1-CB 4Å; F51-H350 HydrophobicContact CE2-CB 3.75Å; F51-H350 HydrophobicContact CZ-CB 3.58Å
52	I	97.3	Very high	97.7	Very high	15 Å²	15	47.7 Å²	47.7	8%	0.077	23%	0.234	C	C	.	.	H	α-helix	trans	-73	-39.2	179.3	-73.1	162.7	0	0	0	111.9	L48 Q49 E50 D54 G55 L57 A348	L48-I52 HydrophobicContact CD1-CD1 4.07Å; L48-I52 HydrophobicContact CD1-CG1 4.26Å; L48-I52 HydrophobicContact CG-CD1 3.91Å; L48-I52 WeakPolarHBondContact O-CB 3.32Å; L48-I52 WeakPolarHBondContact O-CD1 3.22Å; L48-I52 VanDerWaalsContact O-CG1 3.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.38Å; L48-I52 PolarHBondContact O-N 2.96Å; Q49-I52 PolarHBondContact O-N 3.13Å; Q49-I52 VanDerWaalsContact O-N 3.15Å; E50-I52 VanDerWaalsContact C-N 3.3Å; E50-I52 PolarHBondContact O-N 2.97Å; I52-D54 VanDerWaalsContact C-N 3.31Å; I52-D54 PolarHBondContact O-N 2.77Å; I52-G55 CarbonylContact O-C 3.5Å; I52-G55 PolarHBondContact O-N 3.36Å; I52-G55 VanDerWaalsContact O-N 3.11Å; I52-L57 HydrophobicContact CD1-CD1 4Å; I52-L57 HydrophobicContact CD1-CD2 4.36Å; I52-L57 HydrophobicContact CG1-CB 4.43Å; I52-L57 HydrophobicContact CG1-CD1 4.37Å; I52-L57 HydrophobicContact CG2-CB 3.78Å; I52-L57 HydrophobicContact CG2-CD2 4.18Å; I52-L57 HydrophobicContact CG2-CG 4.49Å; I52-A348 HydrophobicContact CD1-CB 4.36Å; I52-A348 HydrophobicContact CG1-CB 3.73Å
53	E	95.5	Very high	97.8	Very high	139 Å²	139	44 Å²	44	65%	0.65	21%	0.211	S	C	*	.	H	α-helix	trans	-62.1	-39.2	-178.1	-77.5	178.9	177.4	0	0	112.2	Q49 E50 G55 G357	Q49-E53 WeakPolarHBondContact O-CG 3.42Å; Q49-E53 PolarHBondContact O-N 2.98Å; E50-E53 PolarHBondContact O-N 2.91Å; E53-G55 VanDerWaalsContact C-N 3.28Å; E53-G55 PolarHBondContact O-N 3.36Å; E53-G357 PolarHBondContact O-N 3.23Å
54	D	93.3	Very high	97.8	Very high	50 Å²	50	43.4 Å²	43.4	27%	0.267	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	10.3	176.1	-156.7	26.6	0	0	0	113.4	E50 I52 H350 R356	E50-D54 PolarHBondContact O-N 3.27Å; I52-D54 VanDerWaalsContact C-N 3.31Å; I52-D54 PolarHBondContact O-N 2.77Å; D54-H350 PolarHBondContact O-CD2 2.93Å; D54-H350 IonicContact OD2-CD2 3.39Å; D54-H350 IonicContact OD2-NE2 3.52Å; D54-H350 PolarHBondContact OD2-NE2 3.38Å; D54-R356 WeakPolarHBondContact OD1-CD 3.09Å; D54-R356 IonicContact OD1-CZ 2.79Å; D54-R356 VanDerWaalsContact OD1-CZ 3.31Å; D54-R356 IonicContact OD1-NE 3.2Å; D54-R356 IonicContact OD1-NH1 3.47Å; D54-R356 PolarHBondContact OD1-NH1 3.09Å; D54-R356 IonicContact OD2-NH1 3.92Å
55	G	97.4	Very high	97.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-143.9	-147.3	-173.4	0	0	0	0	0	113.8	I52 E53 A349 H355 R356 G357 Y358	I52-G55 CarbonylContact O-C 3.5Å; I52-G55 PolarHBondContact O-N 3.36Å; I52-G55 VanDerWaalsContact O-N 3.11Å; E53-G55 VanDerWaalsContact C-N 3.28Å; E53-G55 PolarHBondContact O-N 3.36Å; G55-A349 CarbonylContact C-O 3.48Å; G55-A349 VanDerWaalsContact CA-O 3.24Å; G55-A349 WeakPolarHBondContact CA-O 3.22Å; G55-H355 CarbonylContact C-O 3.59Å; G55-R356 CarbonylContact O-C 3.34Å; G55-G357 WeakPolarHBondContact O-CA 3.39Å; G55-G357 PolarHBondContact O-N 3.42Å; G55-Y358 PolarHBondContact O-N 2.84Å
56	V	98.4	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	152.5	176.4	-55.6	0	0	0	0	111.7	A348 A349 F354 H355 Y358 L393	V56-A348 CarbonylContact O-C 3.54Å; V56-A348 VanDerWaalsContact O-CA 3.3Å; V56-A348 WeakPolarHBondContact O-CA 3.44Å; V56-A349 HydrophobicContact CG2-CB 3.76Å; V56-A349 PolarHBondContact N-O 3.45Å; V56-A349 PolarHBondContact O-N 2.85Å; V56-F354 HydrophobicContact CG1-CB 4.2Å; V56-F354 HydrophobicContact CG2-CB 4.45Å; V56-F354 HydrophobicContact CG2-CD1 3.81Å; V56-F354 HydrophobicContact CG2-CE1 4.41Å; V56-F354 HydrophobicContact CG2-CG 4.32Å; V56-H355 HydrophobicContact CG1-CB 4.08Å; V56-H355 WeakPolarHBondContact CG1-O 3.44Å; V56-Y358 CarbonylContact C-O 3.51Å; V56-Y358 WeakPolarHBondContact CA-O 3.47Å; V56-Y358 HydrophobicContact CG1-CD1 4.39Å; V56-L393 HydrophobicContact CB-CD2 4.13Å; V56-L393 HydrophobicContact CG2-CB 4.3Å; V56-L393 HydrophobicContact CG2-CD2 4.1Å
57	L	98.7	Very high	97.8	Very high	15 Å²	15	31.3 Å²	31.3	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.5	172.1	173.2	68.7	0	0	0	110.7	L40 I52 R59 F346 L347 Y358 K359 Q360	L40-L57 HydrophobicContact CD1-CD1 3.86Å; I52-L57 HydrophobicContact CD1-CD1 4Å; I52-L57 HydrophobicContact CD1-CD2 4.36Å; I52-L57 HydrophobicContact CG1-CB 4.43Å; I52-L57 HydrophobicContact CG1-CD1 4.37Å; I52-L57 HydrophobicContact CG2-CB 3.78Å; I52-L57 HydrophobicContact CG2-CD2 4.18Å; I52-L57 HydrophobicContact CG2-CG 4.49Å; L57-R59 HydrophobicContact CD2-CG 4.08Å; L57-R59 HydrophobicContact CG-CG 4.33Å; L57-F346 HydrophobicContact CD1-CD2 4.12Å; L57-L347 CarbonylContact C-O 3.57Å; L57-Y358 PolarHBondContact N-O 3.45Å; L57-K359 HydrophobicContact CB-CG 4.35Å; L57-K359 CarbonylContact O-C 3.46Å; L57-K359 WeakPolarHBondContact O-CA 3.44Å; L57-Q360 PolarHBondContact O-N 3.45Å
58	V	98.6	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	111.1	157.7	-170.6	0	0	0	0	107.9	Q60 V61 L347 Q360 M363 L393	V58-Q60 PolarHBondContact O-N 3.12Å; V58-Q60 VanDerWaalsContact O-N 3.16Å; V58-V61 HydrophobicContact CG1-CG2 4.47Å; V58-L347 HydrophobicContact CB-CB 4.22Å; V58-L347 HydrophobicContact CG2-CD2 4.16Å; V58-L347 PolarHBondContact N-O 3.14Å; V58-L347 PolarHBondContact O-N 3.37Å; V58-L347 VanDerWaalsContact O-N 3.08Å; V58-Q360 WeakPolarHBondContact CA-O 3.48Å; V58-Q360 HydrophobicContact CG2-CB 4.24Å; V58-M363 HydrophobicContact CB-CG 4.46Å; V58-M363 HydrophobicContact CB-SD 4.22Å; V58-M363 HydrophobicContact CG1-CB 4.13Å; V58-M363 HydrophobicContact CG1-CG 3.82Å; V58-M363 HydrophobicContact CG1-SD 4.19Å; V58-M363 HydrophobicContact CG2-CG 4.42Å; V58-M363 HydrophobicContact CG2-SD 3.7Å; V58-L393 HydrophobicContact CG2-CD1 3.89Å; V58-L393 HydrophobicContact CG2-CD2 3.84Å
59	R	98.3	Very high	97.7	Very high	117 Å²	117	29.5 Å²	29.5	44%	0.442	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	-29.5	-171.6	-67.9	-175.2	178.9	96.7	-5.7	113.3	A37 L57 Q360	A37-R59 WeakPolarHBondContact CB-O 3.46Å; L57-R59 HydrophobicContact CD2-CG 4.08Å; L57-R59 HydrophobicContact CG-CG 4.33Å; R59-Q360 PolarHBondContact N-O 3.32Å
60	Q	98.2	Very high	97.8	Very high	31 Å²	31	26.3 Å²	26.3	15%	0.145	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	119.4	-175.6	-174.5	-172	-31.9	0	0	109.3	V58 H344 P345 S361 R362 M363	V58-Q60 PolarHBondContact O-N 3.12Å; V58-Q60 VanDerWaalsContact O-N 3.16Å; Q60-H344 HydrophobicContact CG-CB 3.47Å; Q60-H344 VanDerWaalsContact CG-CB 3.47Å; Q60-H344 PolarHBondContact NE2-CE1 3.49Å; Q60-H344 VanDerWaalsContact NE2-CE1 3.28Å; Q60-H344 PolarHBondContact NE2-ND1 2.77Å; Q60-P345 CarbonylContact C-O 3.4Å; Q60-P345 WeakPolarHBondContact CA-O 3.18Å; Q60-S361 PolarHBondContact N-O 3.37Å; Q60-R362 HydrophobicContact CB-CG 4.29Å; Q60-R362 VanDerWaalsContact O-CA 3.23Å; Q60-R362 WeakPolarHBondContact O-CA 3.44Å; Q60-R362 VanDerWaalsContact OE1-CZ 3.28Å; Q60-M363 PolarHBondContact O-N 3.12Å
61	V	98.6	Very high	97.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.2	172	178.7	0	0	0	0	107.5	V58 N63 H344 P345 L347 M363 N365 I368	V58-V61 HydrophobicContact CG1-CG2 4.47Å; V61-N63 PolarHBondContact O-N 3.46Å; V61-H344 WeakPolarHBondContact O-CB 3.41Å; V61-P345 HydrophobicContact CB-CG 4.19Å; V61-P345 PolarHBondContact N-O 3.1Å; V61-P345 WeakPolarHBondContact O-CD 3.44Å; V61-L347 HydrophobicContact CG2-CB 3.63Å; V61-M363 CarbonylContact C-O 3.47Å; V61-M363 WeakPolarHBondContact CA-O 3.21Å; V61-M363 HydrophobicContact CG1-CG 4.36Å; V61-M363 HydrophobicContact CG2-CG 4.04Å; V61-M363 HydrophobicContact CG2-SD 4.47Å; V61-N365 HydrophobicContact CG1-CB 3.8Å; V61-I368 HydrophobicContact CG1-CD1 4.39Å
62	T	98.3	Very high	97.9	Very high	31 Å²	31	21.6 Å²	21.6	19%	0.19	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	107.3	169.9	-61.6	0	0	0	0	107.9	M363 N364 N365	T62-M363 PolarHBondContact N-O 3.26Å; T62-N364 CarbonylContact O-C 3.52Å; T62-N364 VanDerWaalsContact O-CA 3.31Å; T62-N364 WeakPolarHBondContact O-CA 3.4Å; T62-N365 PolarHBondContact O-N 3.23Å
63	N	97.8	Very high	97.9	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-78.5	170.2	175.9	62.8	-31.6	0	0	0	111.1	V61 T67 N72 D235 H236 N338 M343 H344 P345	V61-N63 PolarHBondContact O-N 3.46Å; N63-T67 VanDerWaalsContact ND2-CB 3.28Å; N63-T67 WeakPolarHBondContact ND2-CB 3.4Å; N63-T67 VanDerWaalsContact ND2-CG2 3.27Å; N63-T67 WeakPolarHBondContact ND2-CG2 3Å; N63-N72 VanDerWaalsContact CB-OD1 3.32Å; N63-N72 WeakPolarHBondContact CB-OD1 3.26Å; N63-D235 WeakPolarHBondContact CB-O 3.25Å; N63-D235 PolarHBondContact ND2-O 2.83Å; N63-D235 VanDerWaalsContact ND2-O 3.13Å; N63-H236 WeakPolarHBondContact ND2-CA 3.43Å; N63-H236 WeakPolarHBondContact ND2-CB 3.47Å; N63-N338 WeakPolarHBondContact O-CB 3.44Å; N63-N338 PolarHBondContact O-ND2 3.21Å; N63-M343 PolarHBondContact ND2-O 3.17Å; N63-M343 PolarHBondContact OD1-O 3.5Å; N63-H344 PolarHBondContact OD1-CD2 3.13Å; N63-P345 HydrophobicContact CB-CG 4.47Å
64	T	98.3	Very high	98.1	Very high	4 Å²	4	14.2 Å²	14.2	3%	0.025	7%	0.066	C	C	.	.	P	Polyproline II helix	trans	-89.7	164.6	-175.9	49.4	0	0	0	0	111.8	I66 T67 N72 S75 Y81 E82 N365 V366	T64-I66 CarbonylContact O-C 3.59Å; T64-T67 WeakPolarHBondContact O-CG2 3.18Å; T64-N72 PolarHBondContact N-OD1 3.49Å; T64-N72 PolarHBondContact O-OD1 2.85Å; T64-N72 PolarHBondContact OG1-OD1 3.4Å; T64-S75 PolarHBondContact OG1-OG 3.32Å; T64-Y81 HydrophobicContact CG2-CD1 3.45Å; T64-Y81 VanDerWaalsContact CG2-CD1 3.45Å; T64-Y81 HydrophobicContact CG2-CE1 3.72Å; T64-E82 VanDerWaalsContact CB-CD 3.41Å; T64-E82 WeakPolarHBondContact CB-OE1 3.38Å; T64-E82 WeakPolarHBondContact CB-OE2 3.3Å; T64-E82 VanDerWaalsContact OG1-CD 3.23Å; T64-E82 PolarHBondContact OG1-OE1 3.04Å; T64-E82 PolarHBondContact OG1-OE2 3.35Å; T64-N365 VanDerWaalsContact CG2-OD1 3.25Å; T64-N365 WeakPolarHBondContact CG2-OD1 3.43Å; T64-N365 PolarHBondContact N-ND2 3.31Å; T64-N365 PolarHBondContact OG1-ND2 3.47Å; T64-V366 HydrophobicContact CG2-CG1 3.83Å
65	F	98.1	Very high	98.4	Very high	1 Å²	1	11.9 Å²	11.9	0%	0.004	5%	0.054	C	C	.	.	S	Bend	trans	-101.4	125.5	-178.5	178.1	-88.9	0	0	0	109.5	E82 V266 F301 Y303 V315 N338	F65-E82 PolarHBondContact N-OE1 3.15Å; F65-E82 VanDerWaalsContact O-OE2 3.05Å; F65-V266 HydrophobicContact CE1-CG1 4.49Å; F65-V266 HydrophobicContact CE2-CG2 3.8Å; F65-V266 HydrophobicContact CZ-CB 4.49Å; F65-V266 HydrophobicContact CZ-CG1 3.92Å; F65-V266 HydrophobicContact CZ-CG2 3.8Å; F65-F301 HydrophobicContact CB-CB 4.07Å; F65-F301 HydrophobicContact CB-CD1 3.64Å; F65-F301 HydrophobicContact CB-CE1 4.33Å; F65-F301 HydrophobicContact CB-CG 4.11Å; F65-F301 HydrophobicContact CD1-CB 3.72Å; F65-F301 AromaticContact CD1-CD1 3.99Å; F65-F301 HydrophobicContact CD1-CD1 3.99Å; F65-F301 HydrophobicContact CD1-CD2 4.12Å; F65-F301 AromaticContact CD1-CG 3.73Å; F65-F301 HydrophobicContact CD1-CG 3.73Å; F65-F301 AromaticContact CD2-CD1 3.69Å; F65-F301 HydrophobicContact CD2-CD1 3.69Å; F65-F301 AromaticContact CD2-CE1 3.59Å; F65-F301 HydrophobicContact CD2-CE1 3.59Å; F65-F301 HydrophobicContact CD2-CG 4.21Å; F65-F301 HydrophobicContact CD2-CZ 4.06Å; F65-F301 HydrophobicContact CE1-CB 4.4Å; F65-F301 HydrophobicContact CE1-CD2 4.06Å; F65-F301 HydrophobicContact CE1-CE2 4.43Å; F65-F301 HydrophobicContact CE1-CG 4.15Å; F65-F301 HydrophobicContact CE2-CD1 4.33Å; F65-F301 AromaticContact CE2-CE1 3.98Å; F65-F301 HydrophobicContact CE2-CE1 3.98Å; F65-F301 HydrophobicContact CE2-CE2 4.24Å; F65-F301 AromaticContact CE2-CZ 3.95Å; F65-F301 HydrophobicContact CE2-CZ 3.95Å; F65-F301 HydrophobicContact CG-CB 4Å; F65-F301 AromaticContact CG-CD1 3.48Å; F65-F301 HydrophobicContact CG-CD1 3.48Å; F65-F301 VanDerWaalsContact CG-CD1 3.48Å; F65-F301 HydrophobicContact CG-CD2 4.37Å; F65-F301 AromaticContact CG-CE1 3.91Å; F65-F301 HydrophobicContact CG-CE1 3.91Å; F65-F301 AromaticContact CG-CG 3.74Å; F65-F301 HydrophobicContact CG-CG 3.74Å; F65-F301 HydrophobicContact CZ-CD2 4.27Å; F65-F301 HydrophobicContact CZ-CE2 4.17Å; F65-F301 HydrophobicContact CZ-CZ 4.35Å; F65-Y303 HydrophobicContact CD1-CD1 4.12Å; F65-Y303 HydrophobicContact CD1-CD2 4.16Å; F65-Y303 AromaticContact CD1-CG 3.76Å; F65-Y303 HydrophobicContact CD1-CG 3.76Å; F65-Y303 AromaticContact CE1-CD1 3.84Å; F65-Y303 HydrophobicContact CE1-CD1 3.84Å; F65-Y303 HydrophobicContact CE1-CE1 4.37Å; F65-Y303 AromaticContact CE1-CG 3.98Å; F65-Y303 HydrophobicContact CE1-CG 3.98Å; F65-Y303 WeakPolarHBondContact O-CD2 3.43Å; F65-V315 HydrophobicContact CE2-CG1 4.47Å; F65-V315 HydrophobicContact CE2-CG2 4.45Å; F65-V315 HydrophobicContact CZ-CG2 3.85Å; F65-N338 HydrophobicContact CB-CB 4.3Å
66	I	97.5	Very high	98.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.054	C	C	.	.	S	Bend	cis	-85.1	151.3	8.4	63.7	178.3	0	0	0	112.2	T64 K68 P71 N72 A89 V266 Y303	T64-I66 CarbonylContact O-C 3.59Å; I66-K68 HydrophobicContact CB-CG 4.43Å; I66-K68 HydrophobicContact CD1-CB 4.11Å; I66-K68 HydrophobicContact CD1-CG 3.41Å; I66-K68 VanDerWaalsContact CD1-CG 3.41Å; I66-K68 HydrophobicContact CG1-CB 4Å; I66-K68 HydrophobicContact CG1-CG 3.68Å; I66-K68 PolarHBondContact O-N 2.92Å; I66-P71 HydrophobicContact CG1-CG 4.41Å; I66-N72 PolarHBondContact O-ND2 3.5Å; I66-A89 HydrophobicContact CD1-CB 3.91Å; I66-V266 HydrophobicContact CB-CB 4.48Å; I66-V266 HydrophobicContact CG2-CB 3.75Å; I66-V266 HydrophobicContact CG2-CG1 3.51Å; I66-V266 HydrophobicContact CG2-CG2 4Å; I66-Y303 HydrophobicContact CG2-CE2 4.42Å
67	T	98.4	Very high	98.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.054	C	C	.	.			trans	-80.5	56.6	-176.8	69.9	0	0	0	0	112.1	N63 T64 N72 H236 H334 G335 Y336 N338 M343	N63-T67 VanDerWaalsContact ND2-CB 3.28Å; N63-T67 WeakPolarHBondContact ND2-CB 3.4Å; N63-T67 VanDerWaalsContact ND2-CG2 3.27Å; N63-T67 WeakPolarHBondContact ND2-CG2 3Å; T64-T67 WeakPolarHBondContact O-CG2 3.18Å; T67-N72 WeakPolarHBondContact CA-ND2 3.43Å; T67-H236 PolarHBondContact O-CD2 2.99Å; T67-H334 PolarHBondContact O-ND1 3.41Å; T67-G335 WeakPolarHBondContact O-CA 3.44Å; T67-G335 PolarHBondContact O-N 2.83Å; T67-G335 VanDerWaalsContact O-N 3.17Å; T67-G335 WeakPolarHBondContact OG1-CA 3.01Å; T67-G335 PolarHBondContact OG1-N 2.81Å; T67-Y336 WeakPolarHBondContact CG2-O 3.31Å; T67-Y336 PolarHBondContact OG1-N 3.25Å; T67-Y336 PolarHBondContact OG1-O 3.07Å; T67-N338 HydrophobicContact CG2-CB 3.58Å; T67-M343 HydrophobicContact CG2-CB 3.93Å; T67-M343 HydrophobicContact CG2-CG 4.27Å; T67-M343 PolarHBondContact OG1-SD 2.95Å
68	K	98.3	Very high	98.5	Very high	13 Å²	13	11.3 Å²	11.3	6%	0.057	5%	0.051	C	C	.	.			trans	-109.3	160.8	178.2	-68.3	-64.8	-165.2	-175.9	0	111.3	I66 P71 N72 S264 D333 H334	I66-K68 HydrophobicContact CB-CG 4.43Å; I66-K68 HydrophobicContact CD1-CB 4.11Å; I66-K68 HydrophobicContact CD1-CG 3.41Å; I66-K68 VanDerWaalsContact CD1-CG 3.41Å; I66-K68 HydrophobicContact CG1-CB 4Å; I66-K68 HydrophobicContact CG1-CG 3.68Å; I66-K68 PolarHBondContact O-N 2.92Å; K68-P71 HydrophobicContact CB-CG 4.14Å; K68-N72 PolarHBondContact N-ND2 3.37Å; K68-N72 WeakPolarHBondContact O-CB 3.42Å; K68-N72 PolarHBondContact O-N 3.48Å; K68-N72 VanDerWaalsContact O-N 3.11Å; K68-N72 PolarHBondContact O-ND2 2.92Å; K68-S264 PolarHBondContact NZ-O 3.21Å; K68-D333 IonicContact NZ-OD1 3.47Å; K68-D333 PolarHBondContact NZ-OD1 3.46Å; K68-H334 VanDerWaalsContact CE-O 3.28Å; K68-H334 WeakPolarHBondContact CE-O 3.4Å; K68-H334 PolarHBondContact NZ-O 3.24Å
69	T	98.3	Very high	98.5	Very high	14 Å²	14	11.3 Å²	11.3	9%	0.086	5%	0.051	C	C	.	.	H	α-helix	trans	-57.6	-62	-171.2	-46.1	0	0	0	0	114.9	D33 N72 H73 D235 H236	D33-T69 WeakPolarHBondContact OD2-CG2 3.35Å; T69-N72 PolarHBondContact O-N 3.22Å; T69-H73 WeakPolarHBondContact O-CB 3.33Å; T69-H73 PolarHBondContact O-N 3.29Å; T69-H73 PolarHBondContact O-ND1 3.38Å; T69-D235 WeakPolarHBondContact CA-OD2 3.24Å; T69-H236 PolarHBondContact OG1-NE2 3.2Å
70	F	98.5	Very high	98.5	Very high	22 Å²	22	6.9 Å²	6.9	10%	0.096	4%	0.036	C	C	.	.	H	α-helix	trans	-62.8	-48	-176	-83.1	-115	0	0	0	112	N72 Y74 N90 F101 Q103 D106 W112 P135	F70-N72 PolarHBondContact O-N 3.49Å; F70-Y74 WeakPolarHBondContact O-CB 3.29Å; F70-Y74 PolarHBondContact O-N 3.33Å; F70-Y74 VanDerWaalsContact O-N 3.11Å; F70-N90 WeakPolarHBondContact CB-OD1 3.34Å; F70-N90 PolarHBondContact N-OD1 2.96Å; F70-F101 AromaticContact CD1-CE1 3.91Å; F70-F101 HydrophobicContact CD1-CE1 3.91Å; F70-F101 AromaticContact CD1-CZ 3.54Å; F70-F101 HydrophobicContact CD1-CZ 3.54Å; F70-F101 HydrophobicContact CE1-CE1 4.24Å; F70-F101 AromaticContact CE1-CZ 3.7Å; F70-F101 HydrophobicContact CE1-CZ 3.7Å; F70-F101 HydrophobicContact CG-CE1 4.39Å; F70-F101 HydrophobicContact CG-CZ 4.44Å; F70-Q103 HydrophobicContact CE2-CB 4.18Å; F70-D106 HydrophobicContact CE1-CB 3.88Å; F70-D106 HydrophobicContact CZ-CB 4.34Å; F70-W112 AromaticContact CD1-CH2 3.48Å; F70-W112 HydrophobicContact CD1-CH2 3.48Å; F70-W112 VanDerWaalsContact CD1-CH2 3.48Å; F70-W112 AromaticContact CD1-CZ2 3.86Å; F70-W112 HydrophobicContact CD1-CZ2 3.86Å; F70-W112 AromaticContact CE1-CH2 3.73Å; F70-W112 HydrophobicContact CE1-CH2 3.73Å; F70-W112 AromaticContact CE1-CZ2 3.79Å; F70-W112 HydrophobicContact CE1-CZ2 3.79Å; F70-P135 HydrophobicContact CD1-CB 4.33Å; F70-P135 HydrophobicContact CE1-CB 4.43Å
71	P	98.6	Very high	98.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-53.1	-54.8	175.5	-29.8	37.2	0	0	0	113.1	I66 K68 Y74 S75 E82 H85 M87 N90	I66-P71 HydrophobicContact CG1-CG 4.41Å; K68-P71 HydrophobicContact CB-CG 4.14Å; P71-Y74 PolarHBondContact O-N 2.83Å; P71-Y74 VanDerWaalsContact O-N 3.15Å; P71-S75 PolarHBondContact O-N 3.2Å; P71-S75 PolarHBondContact O-OG 3.26Å; P71-S75 VanDerWaalsContact O-OG 3.09Å; P71-E82 HydrophobicContact CB-CG 3.65Å; P71-H85 PolarHBondContact O-NE2 3.26Å; P71-M87 WeakPolarHBondContact CA-O 3.28Å; P71-M87 WeakPolarHBondContact CB-O 3.38Å; P71-M87 WeakPolarHBondContact CG-O 3.33Å; P71-N90 WeakPolarHBondContact CD-OD1 3.1Å
72	N	98.8	Very high	98.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-73.4	-36.9	-172.3	-79.3	-86.7	0	0	0	113.6	N63 T64 I66 T67 K68 T69 F70 Y74 S75 I76 D235 N365	N63-N72 VanDerWaalsContact CB-OD1 3.32Å; N63-N72 WeakPolarHBondContact CB-OD1 3.26Å; T64-N72 PolarHBondContact N-OD1 3.49Å; T64-N72 PolarHBondContact O-OD1 2.85Å; T64-N72 PolarHBondContact OG1-OD1 3.4Å; I66-N72 PolarHBondContact O-ND2 3.5Å; T67-N72 WeakPolarHBondContact CA-ND2 3.43Å; K68-N72 PolarHBondContact N-ND2 3.37Å; K68-N72 WeakPolarHBondContact O-CB 3.42Å; K68-N72 PolarHBondContact O-N 3.48Å; K68-N72 VanDerWaalsContact O-N 3.11Å; K68-N72 PolarHBondContact O-ND2 2.92Å; T69-N72 PolarHBondContact O-N 3.22Å; F70-N72 PolarHBondContact O-N 3.49Å; N72-Y74 PolarHBondContact O-N 2.89Å; N72-S75 PolarHBondContact O-N 2.95Å; N72-I76 VanDerWaalsContact O-CG1 3.27Å; N72-I76 WeakPolarHBondContact O-CG1 3.47Å; N72-I76 PolarHBondContact O-N 3.31Å; N72-D235 HydrophobicContact CB-CB 3.89Å; N72-D235 WeakPolarHBondContact CB-O 3.37Å; N72-N365 PolarHBondContact OD1-ND2 2.97Å
73	H	98.9	Very high	98.5	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-61.3	-33.4	171.8	-80.6	94.1	0	0	0	111.5	S31 D33 T69 V77 W134 P135 Y182 D235	S31-H73 VanDerWaalsContact CB-NE2 3.34Å; S31-H73 WeakPolarHBondContact CB-NE2 3.3Å; S31-H73 PolarHBondContact OG-NE2 3.21Å; D33-H73 IonicContact OD2-CE1 2.63Å; T69-H73 WeakPolarHBondContact O-CB 3.33Å; T69-H73 PolarHBondContact O-N 3.29Å; T69-H73 PolarHBondContact O-ND1 3.38Å; H73-V77 WeakPolarHBondContact O-CG2 3.13Å; H73-W134 HydrophobicContact CB-CZ2 4.3Å; H73-W134 AromaticContact CD2-CE2 3.7Å; H73-W134 AromaticContact CD2-CH2 3.88Å; H73-W134 AromaticContact CD2-CZ2 3.58Å; H73-W134 PolarHBondContact O-NE1 3.06Å; H73-P135 HydrophobicContact CB-CB 4.17Å; H73-P135 HydrophobicContact CB-CG 3.78Å; H73-Y182 AromaticContact CE1-CD2 3.97Å; H73-Y182 AromaticContact CE1-CE2 3.78Å; H73-Y182 AromaticContact NE2-CD2 3.49Å; H73-Y182 WeakPolarHBondContact NE2-CD2 3.19Å; H73-Y182 AromaticContact NE2-CE2 3.79Å; H73-D235 WeakPolarHBondContact CE1-CB 3.36Å; H73-D235 IonicContact CE1-OD1 3.42Å; H73-D235 IonicContact CE1-OD2 2.68Å; H73-D235 PolarHBondContact CE1-OD2 3.09Å; H73-D235 WeakPolarHBondContact ND1-CB 3.31Å; H73-D235 IonicContact ND1-OD2 3.38Å; H73-D235 PolarHBondContact ND1-OD2 3.05Å; H73-D235 VanDerWaalsContact ND1-OD2 3.12Å
74	Y	98.8	Very high	98.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-77.1	-37.1	176.1	-151.6	-130.9	0	0	0	112.4	F70 P71 N72 I76 V77 T78 H85 M87 W112 A115 P117 W119 I141	F70-Y74 WeakPolarHBondContact O-CB 3.29Å; F70-Y74 PolarHBondContact O-N 3.33Å; F70-Y74 VanDerWaalsContact O-N 3.11Å; P71-Y74 PolarHBondContact O-N 2.83Å; P71-Y74 VanDerWaalsContact O-N 3.15Å; N72-Y74 PolarHBondContact O-N 2.89Å; Y74-I76 VanDerWaalsContact C-N 3.32Å; Y74-I76 PolarHBondContact O-N 2.79Å; Y74-V77 HydrophobicContact CD2-CG2 3.93Å; Y74-V77 HydrophobicContact CE2-CG2 4.45Å; Y74-V77 WeakPolarHBondContact O-CG2 3.38Å; Y74-V77 PolarHBondContact O-N 3.47Å; Y74-T78 HydrophobicContact CD1-CG2 4.2Å; Y74-T78 HydrophobicContact CD2-CG2 4.17Å; Y74-T78 HydrophobicContact CE1-CG2 4.05Å; Y74-T78 HydrophobicContact CE2-CG2 3.96Å; Y74-T78 HydrophobicContact CG-CG2 4.26Å; Y74-T78 WeakPolarHBondContact O-CB 3.41Å; Y74-T78 WeakPolarHBondContact O-CG2 3.49Å; Y74-T78 PolarHBondContact O-N 2.66Å; Y74-T78 PolarHBondContact O-OG1 2.97Å; Y74-H85 HydrophobicContact CD1-CB 3.73Å; Y74-H85 AromaticContact CD1-CG 3.69Å; Y74-H85 AromaticContact CD1-ND1 3.75Å; Y74-H85 HydrophobicContact CE1-CB 3.9Å; Y74-M87 HydrophobicContact CD1-CB 4.2Å; Y74-M87 HydrophobicContact CD1-CG 3.79Å; Y74-M87 HydrophobicContact CE1-CG 4.34Å; Y74-M87 HydrophobicContact CG-CG 4.28Å; Y74-W112 AromaticContact CD2-CE3 3.84Å; Y74-W112 HydrophobicContact CD2-CE3 3.84Å; Y74-W112 AromaticContact CD2-CZ3 3.83Å; Y74-W112 HydrophobicContact CD2-CZ3 3.83Å; Y74-W112 HydrophobicContact CE1-CE3 4.35Å; Y74-W112 AromaticContact CE2-CE3 3.68Å; Y74-W112 HydrophobicContact CE2-CE3 3.68Å; Y74-W112 HydrophobicContact CE2-CZ3 4.14Å; Y74-W112 HydrophobicContact CG-CE3 4.29Å; Y74-W112 HydrophobicContact CG-CZ3 4.23Å; Y74-W112 AromaticContact CZ-CE3 3.95Å; Y74-W112 PolarHBondContact OH-O 3.4Å; Y74-A115 HydrophobicContact CE1-CB 3.84Å; Y74-A115 PolarHBondContact OH-O 3.19Å; Y74-A115 VanDerWaalsContact OH-O 3.09Å; Y74-P117 HydrophobicContact CE2-CB 4.03Å; Y74-P117 HydrophobicContact CE2-CG 4.23Å; Y74-W119 HydrophobicContact CE2-CH2 4.45Å; Y74-I141 HydrophobicContact CE2-CD1 4.08Å
75	S	98.9	Very high	98.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-56.5	-43.4	170.3	-56.1	0	0	0	0	112.2	T64 P71 N72 V77 T78 G79 L80 H85	T64-S75 PolarHBondContact OG1-OG 3.32Å; P71-S75 PolarHBondContact O-N 3.2Å; P71-S75 PolarHBondContact O-OG 3.26Å; P71-S75 VanDerWaalsContact O-OG 3.09Å; N72-S75 PolarHBondContact O-N 2.95Å; S75-V77 VanDerWaalsContact C-N 3.3Å; S75-V77 PolarHBondContact O-N 2.92Å; S75-T78 PolarHBondContact O-N 3.31Å; S75-G79 VanDerWaalsContact O-CA 3.31Å; S75-G79 WeakPolarHBondContact O-CA 3.44Å; S75-G79 PolarHBondContact O-N 3.46Å; S75-L80 WeakPolarHBondContact CA-O 3.34Å; S75-L80 WeakPolarHBondContact CB-O 3.46Å; S75-L80 PolarHBondContact OG-O 3.32Å; S75-H85 PolarHBondContact OG-NE2 3.02Å
76	I	98.9	Very high	98.6	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-60.2	-40.4	-179.4	-70.3	165.6	0	0	0	111.7	L29 N72 Y74 W134 T233 N365 I368 M372	L29-I76 HydrophobicContact CD1-CG2 4.48Å; L29-I76 HydrophobicContact CD2-CG2 3.83Å; N72-I76 VanDerWaalsContact O-CG1 3.27Å; N72-I76 WeakPolarHBondContact O-CG1 3.47Å; N72-I76 PolarHBondContact O-N 3.31Å; Y74-I76 VanDerWaalsContact C-N 3.32Å; Y74-I76 PolarHBondContact O-N 2.79Å; I76-W134 HydrophobicContact CB-CZ2 4.28Å; I76-W134 HydrophobicContact CG2-CH2 4.25Å; I76-W134 HydrophobicContact CG2-CZ2 4.06Å; I76-T233 HydrophobicContact CD1-CG2 4.36Å; I76-N365 HydrophobicContact CG1-CB 4.16Å; I76-I368 HydrophobicContact CG1-CD1 4.28Å; I76-I368 HydrophobicContact CG2-CB 4.44Å; I76-I368 HydrophobicContact CG2-CD1 4.45Å; I76-I368 HydrophobicContact CG2-CG2 4.07Å; I76-M372 HydrophobicContact CG2-CE 4.43Å; I76-M372 VanDerWaalsContact O-CE 3.29Å; I76-M372 WeakPolarHBondContact O-CE 3.41Å
77	V	98.9	Very high	98.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-95.4	-3.2	-173.2	-60.1	0	0	0	0	114.1	L29 H73 Y74 S75 P117 I118 W119 W134 Y369	L29-V77 HydrophobicContact CD2-CG1 3.98Å; H73-V77 WeakPolarHBondContact O-CG2 3.13Å; Y74-V77 HydrophobicContact CD2-CG2 3.93Å; Y74-V77 HydrophobicContact CE2-CG2 4.45Å; Y74-V77 WeakPolarHBondContact O-CG2 3.38Å; Y74-V77 PolarHBondContact O-N 3.47Å; S75-V77 VanDerWaalsContact C-N 3.3Å; S75-V77 PolarHBondContact O-N 2.92Å; V77-P117 HydrophobicContact CB-CB 4.49Å; V77-P117 HydrophobicContact CG2-CB 4.03Å; V77-P117 CarbonylContact O-C 3.54Å; V77-P117 WeakPolarHBondContact O-CA 3.41Å; V77-I118 HydrophobicContact CB-CG2 4.14Å; V77-I118 HydrophobicContact CG1-CG2 4.46Å; V77-I118 PolarHBondContact O-N 3.25Å; V77-W119 HydrophobicContact CB-CE3 4.39Å; V77-W119 HydrophobicContact CB-CZ3 3.78Å; V77-W119 HydrophobicContact CG1-CZ3 3.98Å; V77-W119 HydrophobicContact CG2-CH2 3.9Å; V77-W119 HydrophobicContact CG2-CZ3 3.54Å; V77-W134 HydrophobicContact CG1-CZ2 3.68Å; V77-Y369 WeakPolarHBondContact O-CD2 3.43Å; V77-Y369 WeakPolarHBondContact O-CE2 3.4Å
78	T	98.9	Very high	98.6	Very high	2 Å²	2	9 Å²	9	1%	0.012	5%	0.047	C	C	.	.	H	α-helix	trans	-121	-22.1	177	60.5	0	0	0	0	113.1	Y74 S75 L80 A115 P117 Y369	Y74-T78 HydrophobicContact CD1-CG2 4.2Å; Y74-T78 HydrophobicContact CD2-CG2 4.17Å; Y74-T78 HydrophobicContact CE1-CG2 4.05Å; Y74-T78 HydrophobicContact CE2-CG2 3.96Å; Y74-T78 HydrophobicContact CG-CG2 4.26Å; Y74-T78 WeakPolarHBondContact O-CB 3.41Å; Y74-T78 WeakPolarHBondContact O-CG2 3.49Å; Y74-T78 PolarHBondContact O-N 2.66Å; Y74-T78 PolarHBondContact O-OG1 2.97Å; S75-T78 PolarHBondContact O-N 3.31Å; T78-L80 PolarHBondContact O-N 3.12Å; T78-L80 PolarHBondContact OG1-N 3.28Å; T78-A115 HydrophobicContact CG2-CB 3.72Å; T78-P117 HydrophobicContact CG2-CB 4.19Å; T78-Y369 VanDerWaalsContact C-CG 3.44Å; T78-Y369 WeakPolarHBondContact O-CD1 3.35Å
79	G	98.8	Very high	98.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.			trans	70.9	14.4	-173.9	0	0	0	0	0	113.7	S75 Y369 N384 G385	S75-G79 VanDerWaalsContact O-CA 3.31Å; S75-G79 WeakPolarHBondContact O-CA 3.44Å; S75-G79 PolarHBondContact O-N 3.46Å; G79-Y369 VanDerWaalsContact N-CB 3.26Å; G79-N384 WeakPolarHBondContact O-CA 3.19Å; G79-N384 PolarHBondContact O-N 3.02Å; G79-G385 PolarHBondContact O-N 3.4Å
80	L	98.9	Very high	98.5	Very high	24 Å²	24	8.3 Å²	8.3	13%	0.126	4%	0.044	C	C	.	.			trans	-105.2	154.2	-175.7	-70.8	170.5	0	0	0	111.4	S75 T78 H85 A115 N384	S75-L80 WeakPolarHBondContact CA-O 3.34Å; S75-L80 WeakPolarHBondContact CB-O 3.46Å; S75-L80 PolarHBondContact OG-O 3.32Å; T78-L80 PolarHBondContact O-N 3.12Å; T78-L80 PolarHBondContact OG1-N 3.28Å; L80-H85 HydrophobicContact CB-CB 3.93Å; L80-H85 HydrophobicContact CD1-CB 4.11Å; L80-H85 PolarHBondContact O-CD2 2.73Å; L80-H85 VanDerWaalsContact O-CD2 3.25Å; L80-A115 HydrophobicContact CD1-CB 3.59Å; L80-N384 WeakPolarHBondContact CA-OD1 3.19Å; L80-N384 WeakPolarHBondContact CD2-OD1 3.23Å
81	Y	98.9	Very high	98.5	Very high	43 Å²	43	9.9 Å²	9.9	17%	0.169	5%	0.053	C	C	.	.			trans	-74.3	161.7	164.3	-64.2	-61.8	0	0	0	111.5	T64 E83 S84 H85 H302 V366 N384	T64-Y81 HydrophobicContact CG2-CD1 3.45Å; T64-Y81 VanDerWaalsContact CG2-CD1 3.45Å; T64-Y81 HydrophobicContact CG2-CE1 3.72Å; Y81-E83 VanDerWaalsContact C-N 3.27Å; Y81-E83 PolarHBondContact O-N 3.47Å; Y81-S84 WeakPolarHBondContact O-CA 3.38Å; Y81-S84 WeakPolarHBondContact O-CB 3.25Å; Y81-S84 PolarHBondContact O-N 3.35Å; Y81-H85 PolarHBondContact O-CD2 2.99Å; Y81-H85 VanDerWaalsContact O-CD2 3.27Å; Y81-H85 PolarHBondContact O-N 3.21Å; Y81-H302 HydrophobicContact CD1-CB 3.8Å; Y81-H302 HydrophobicContact CD2-CB 3.54Å; Y81-H302 AromaticContact CD2-CD2 3.87Å; Y81-H302 AromaticContact CD2-CG 3.49Å; Y81-H302 VanDerWaalsContact CD2-CG 3.49Å; Y81-H302 AromaticContact CD2-ND1 3.95Å; Y81-H302 HydrophobicContact CE1-CB 4.32Å; Y81-H302 AromaticContact CE1-CD2 3.61Å; Y81-H302 HydrophobicContact CE2-CB 4.06Å; Y81-H302 AromaticContact CE2-CD2 3.42Å; Y81-H302 VanDerWaalsContact CE2-CD2 3.42Å; Y81-H302 WeakPolarHBondContact CE2-CD2 3.41Å; Y81-H302 AromaticContact CE2-CE1 3.94Å; Y81-H302 AromaticContact CE2-CG 3.49Å; Y81-H302 VanDerWaalsContact CE2-CG 3.49Å; Y81-H302 AromaticContact CE2-ND1 3.82Å; Y81-H302 AromaticContact CE2-NE2 3.73Å; Y81-H302 HydrophobicContact CG-CB 3.41Å; Y81-H302 VanDerWaalsContact CG-CB 3.41Å; Y81-H302 AromaticContact CG-CG 3.82Å; Y81-H302 AromaticContact CZ-CD2 3.3Å; Y81-H302 AromaticContact CZ-CG 3.84Å; Y81-H302 AromaticContact CZ-NE2 3.71Å; Y81-V366 HydrophobicContact CD1-CG1 4.2Å; Y81-V366 HydrophobicContact CE1-CG1 4.13Å; Y81-V366 HydrophobicContact CE1-CG2 4.38Å; Y81-N384 HydrophobicContact CD2-CB 3.63Å; Y81-N384 WeakPolarHBondContact CD2-OD1 3.25Å; Y81-N384 HydrophobicContact CE2-CB 3.47Å; Y81-N384 VanDerWaalsContact CE2-CB 3.47Å; Y81-N384 HydrophobicContact CG-CB 4.45Å; Y81-N384 PolarHBondContact N-OD1 3.48Å
82	E	98.5	Very high	98.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-54.1	-43.2	-178.7	-71.7	85.4	170.1	0	0	113	T64 F65 P71 S84 H85 G86 V88 Y303	T64-E82 VanDerWaalsContact CB-CD 3.41Å; T64-E82 WeakPolarHBondContact CB-OE1 3.38Å; T64-E82 WeakPolarHBondContact CB-OE2 3.3Å; T64-E82 VanDerWaalsContact OG1-CD 3.23Å; T64-E82 PolarHBondContact OG1-OE1 3.04Å; T64-E82 PolarHBondContact OG1-OE2 3.35Å; F65-E82 PolarHBondContact N-OE1 3.15Å; F65-E82 VanDerWaalsContact O-OE2 3.05Å; P71-E82 HydrophobicContact CB-CG 3.65Å; E82-S84 PolarHBondContact O-N 3.38Å; E82-H85 VanDerWaalsContact CA-CE1 3.4Å; E82-H85 WeakPolarHBondContact CA-CE1 3.49Å; E82-G86 PolarHBondContact O-N 3.38Å; E82-V88 HydrophobicContact CB-CG1 4.34Å; E82-V88 WeakPolarHBondContact O-CG1 3.11Å; E82-Y303 HydrophobicContact CB-CD2 3.83Å; E82-Y303 HydrophobicContact CB-CE2 3.95Å; E82-Y303 HydrophobicContact CG-CD2 4.44Å; E82-Y303 HydrophobicContact CG-CE2 4.42Å
83	E	98.3	Very high	98.4	Very high	19 Å²	19	12.7 Å²	12.7	9%	0.089	6%	0.064	C	C	.	.	H	α-helix	trans	-65.4	-24.7	179	71.8	-175	179.7	0	0	113	Y81 H302 Y303 R304 H305 N306 I309	Y81-E83 VanDerWaalsContact C-N 3.27Å; Y81-E83 PolarHBondContact O-N 3.47Å; E83-H302 WeakPolarHBondContact CB-O 3.46Å; E83-H302 WeakPolarHBondContact CG-O 3Å; E83-Y303 PolarHBondContact OE2-N 2.89Å; E83-R304 PolarHBondContact OE2-N 3.13Å; E83-H305 HydrophobicContact CB-CB 4.42Å; E83-H305 HydrophobicContact CG-CB 4.31Å; E83-H305 IonicContact OE1-CD2 2.73Å; E83-H305 WeakPolarHBondContact OE2-CB 3.45Å; E83-H305 IonicContact OE2-CD2 3.31Å; E83-H305 PolarHBondContact OE2-CD2 3.14Å; E83-H305 IonicContact OE2-CG 3.65Å; E83-H305 PolarHBondContact OE2-N 2.7Å; E83-N306 HydrophobicContact CB-CB 4.25Å; E83-N306 WeakPolarHBondContact O-CB 3.36Å; E83-N306 PolarHBondContact O-ND2 2.02Å; E83-I309 HydrophobicContact CB-CD1 4.29Å
84	S	98.6	Very high	98.3	Very high	48 Å²	48	12.7 Å²	12.7	34%	0.336	7%	0.065	S	C	.	.	H	α-helix	trans	-91.6	-39.4	-178.3	-62.9	0	0	0	0	112.6	Y81 E82	Y81-S84 WeakPolarHBondContact O-CA 3.38Å; Y81-S84 WeakPolarHBondContact O-CB 3.25Å; Y81-S84 PolarHBondContact O-N 3.35Å; E82-S84 PolarHBondContact O-N 3.38Å
85	H	98.5	Very high	98.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-90.5	-5	-178.6	64	51.2	0	0	0	114.5	P71 Y74 S75 L80 Y81 E82 M87 A115	P71-H85 PolarHBondContact O-NE2 3.26Å; Y74-H85 HydrophobicContact CD1-CB 3.73Å; Y74-H85 AromaticContact CD1-CG 3.69Å; Y74-H85 AromaticContact CD1-ND1 3.75Å; Y74-H85 HydrophobicContact CE1-CB 3.9Å; S75-H85 PolarHBondContact OG-NE2 3.02Å; L80-H85 HydrophobicContact CB-CB 3.93Å; L80-H85 HydrophobicContact CD1-CB 4.11Å; L80-H85 PolarHBondContact O-CD2 2.73Å; L80-H85 VanDerWaalsContact O-CD2 3.25Å; Y81-H85 PolarHBondContact O-CD2 2.99Å; Y81-H85 VanDerWaalsContact O-CD2 3.27Å; Y81-H85 PolarHBondContact O-N 3.21Å; E82-H85 VanDerWaalsContact CA-CE1 3.4Å; E82-H85 WeakPolarHBondContact CA-CE1 3.49Å; H85-M87 VanDerWaalsContact C-N 3.26Å; H85-M87 PolarHBondContact CE1-O 3.04Å; H85-M87 PolarHBondContact ND1-N 3.08Å; H85-M87 VanDerWaalsContact ND1-N 3.17Å; H85-M87 PolarHBondContact O-N 3.22Å; H85-M87 VanDerWaalsContact O-N 3.16Å; H85-A115 HydrophobicContact CB-CB 3.63Å
86	G	97.9	Very high	97.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	82.7	-18.7	171.4	0	0	0	0	0	115.7	E82 V88 E114 R308	E82-G86 PolarHBondContact O-N 3.38Å; G86-V88 PolarHBondContact O-N 2.93Å; G86-V88 VanDerWaalsContact O-N 3.1Å; G86-E114 WeakPolarHBondContact CA-OE2 3.4Å; G86-R308 WeakPolarHBondContact O-CD 3.37Å; G86-R308 PolarHBondContact O-NH1 3Å
87	M	98.1	Very high	97.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.			trans	-76.7	81.7	168.8	-65.9	-53.9	-169.4	0	0	112.7	P71 Y74 H85 M92 F101 W111 W112	P71-M87 WeakPolarHBondContact CA-O 3.28Å; P71-M87 WeakPolarHBondContact CB-O 3.38Å; P71-M87 WeakPolarHBondContact CG-O 3.33Å; Y74-M87 HydrophobicContact CD1-CB 4.2Å; Y74-M87 HydrophobicContact CD1-CG 3.79Å; Y74-M87 HydrophobicContact CE1-CG 4.34Å; Y74-M87 HydrophobicContact CG-CG 4.28Å; H85-M87 VanDerWaalsContact C-N 3.26Å; H85-M87 PolarHBondContact CE1-O 3.04Å; H85-M87 PolarHBondContact ND1-N 3.08Å; H85-M87 VanDerWaalsContact ND1-N 3.17Å; H85-M87 PolarHBondContact O-N 3.22Å; H85-M87 VanDerWaalsContact O-N 3.16Å; M87-M92 HydrophobicContact SD-CE 3.38Å; M87-M92 WeakPolarHBondContact SD-CE 3.32Å; M87-M92 HydrophobicContact SD-SD 4.48Å; M87-F101 HydrophobicContact CE-CE2 3.78Å; M87-F101 HydrophobicContact CE-CZ 3.96Å; M87-F101 HydrophobicContact SD-CE2 4.31Å; M87-F101 HydrophobicContact SD-CZ 4.18Å; M87-W111 HydrophobicContact CE-CB 3.59Å; M87-W111 WeakPolarHBondContact CE-O 3.29Å; M87-W111 HydrophobicContact SD-CB 4.21Å; M87-W112 HydrophobicContact CE-CB 4.26Å; M87-W112 HydrophobicContact CE-CD2 2.98Å; M87-W112 HydrophobicContact CE-CE3 3.32Å; M87-W112 HydrophobicContact CE-CG 3.41Å; M87-W112 VanDerWaalsContact CE-CG 3.41Å; M87-W112 HydrophobicContact CE-CH2 3.8Å; M87-W112 HydrophobicContact CE-CZ2 3.51Å; M87-W112 HydrophobicContact CE-CZ3 3.7Å; M87-W112 HydrophobicContact CG-CE3 4.27Å; M87-W112 HydrophobicContact CG-CZ3 4.32Å
88	V	97.8	Very high	97.6	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	17%	0.171	C	C	.	.			trans	-87.5	-21.4	-174.2	-59.5	0	0	0	0	113.8	E82 G86 M92 Y303 N306 R308 I309	E82-V88 HydrophobicContact CB-CG1 4.34Å; E82-V88 WeakPolarHBondContact O-CG1 3.11Å; G86-V88 PolarHBondContact O-N 2.93Å; G86-V88 VanDerWaalsContact O-N 3.1Å; V88-M92 HydrophobicContact CB-SD 4.41Å; V88-M92 HydrophobicContact CG2-CG 4.02Å; V88-M92 HydrophobicContact CG2-SD 3.57Å; V88-M92 VanDerWaalsContact CG2-SD 3.57Å; V88-M92 PolarHBondContact N-SD 3.01Å; V88-Y303 HydrophobicContact CB-CE2 3.68Å; V88-Y303 HydrophobicContact CG1-CE2 4.25Å; V88-Y303 VanDerWaalsContact O-CE2 3.32Å; V88-Y303 WeakPolarHBondContact O-CE2 3.43Å; V88-Y303 PolarHBondContact O-OH 2.94Å; V88-N306 HydrophobicContact CG1-CB 4.16Å; V88-R308 HydrophobicContact CG2-CB 3.73Å; V88-I309 HydrophobicContact CB-CG1 4.02Å; V88-I309 HydrophobicContact CG1-CD1 4.18Å; V88-I309 HydrophobicContact CG1-CG1 3.75Å; V88-I309 HydrophobicContact CG2-CG1 4.21Å
89	A	97.8	Very high	97.5	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	19%	0.185	C	C	.	.			trans	-157.1	170.4	178.5	0	0	0	0	0	111.8	I66 D91 M92 D262	I66-A89 HydrophobicContact CD1-CB 3.91Å; A89-D91 VanDerWaalsContact C-N 3.3Å; A89-D91 WeakPolarHBondContact CB-O 3.16Å; A89-M92 HydrophobicContact CB-CG 3.96Å; A89-M92 WeakPolarHBondContact O-CG 3.45Å; A89-D262 HydrophobicContact CB-CB 4.16Å; A89-D262 VanDerWaalsContact CB-OD2 3.24Å; A89-D262 WeakPolarHBondContact CB-OD2 3.37Å
90	N	96.9	Very high	97.4	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.064	21%	0.211	C	C	.	.	S	Bend	trans	-73.6	-24.9	172	-74.6	5.1	0	0	0	112.1	F70 P71 F101 S102 Q103	F70-N90 WeakPolarHBondContact CB-OD1 3.34Å; F70-N90 PolarHBondContact N-OD1 2.96Å; P71-N90 WeakPolarHBondContact CD-OD1 3.1Å; N90-F101 WeakPolarHBondContact O-CD1 3.46Å; N90-S102 CarbonylContact O-C 3.58Å; N90-S102 WeakPolarHBondContact O-CA 3.27Å; N90-Q103 PolarHBondContact O-N 3.07Å
91	D	97.8	Very high	97.4	Very high	54 Å²	54	37.6 Å²	37.6	29%	0.289	21%	0.206	S	C	.	.	S	Bend	trans	-124.5	125.2	171.5	-68.8	-70.1	0	0	0	109.1	A89 F101 S102 I261	A89-D91 VanDerWaalsContact C-N 3.3Å; A89-D91 WeakPolarHBondContact CB-O 3.16Å; D91-F101 WeakPolarHBondContact CA-O 3.08Å; D91-S102 WeakPolarHBondContact OD1-CA 3.32Å; D91-S102 WeakPolarHBondContact OD1-CB 3.35Å; D91-I261 WeakPolarHBondContact CB-O 3.19Å
92	M	97.7	Very high	97.3	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.02	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.6	-175.2	-53.5	-179.8	-74.6	0	0	112.1	M87 V88 A89 T100 F101 W111	M87-M92 HydrophobicContact SD-CE 3.38Å; M87-M92 WeakPolarHBondContact SD-CE 3.32Å; M87-M92 HydrophobicContact SD-SD 4.48Å; V88-M92 HydrophobicContact CB-SD 4.41Å; V88-M92 HydrophobicContact CG2-CG 4.02Å; V88-M92 HydrophobicContact CG2-SD 3.57Å; V88-M92 VanDerWaalsContact CG2-SD 3.57Å; V88-M92 PolarHBondContact N-SD 3.01Å; A89-M92 HydrophobicContact CB-CG 3.96Å; A89-M92 WeakPolarHBondContact O-CG 3.45Å; M92-T100 WeakPolarHBondContact O-CA 3.48Å; M92-F101 HydrophobicContact CB-CB 4.03Å; M92-F101 HydrophobicContact CE-CB 3.74Å; M92-F101 HydrophobicContact CE-CD1 3.47Å; M92-F101 VanDerWaalsContact CE-CD1 3.47Å; M92-F101 HydrophobicContact CE-CD2 4.03Å; M92-F101 HydrophobicContact CE-CE1 4.01Å; M92-F101 HydrophobicContact CE-CE2 4.48Å; M92-F101 HydrophobicContact CE-CG 3.47Å; M92-F101 VanDerWaalsContact CE-CG 3.47Å; M92-F101 HydrophobicContact CE-CZ 4.48Å; M92-F101 PolarHBondContact N-O 3.02Å; M92-F101 PolarHBondContact O-N 3.13Å; M92-W111 HydrophobicContact CB-CH2 4.35Å; M92-W111 HydrophobicContact CB-CZ3 3.96Å; M92-W111 HydrophobicContact CE-CD2 4.28Å; M92-W111 HydrophobicContact CE-CE3 3.68Å; M92-W111 HydrophobicContact CE-CZ3 4.19Å
93	Y	97.8	Very high	96.8	Very high	55 Å²	55	41.2 Å²	41.2	22%	0.216	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	128.2	172.8	177.4	-112.7	0	0	0	110.5	A95 K99 T100 I261 L270 Q310	Y93-A95 HydrophobicContact CE1-CB 3.89Å; Y93-K99 VanDerWaalsContact CD2-O 3.23Å; Y93-K99 WeakPolarHBondContact CD2-O 3.22Å; Y93-T100 HydrophobicContact CD2-CG2 3.8Å; Y93-T100 HydrophobicContact CE2-CG2 4.5Å; Y93-I261 HydrophobicContact CD1-CD1 4.4Å; Y93-I261 HydrophobicContact CG-CD1 4.27Å; Y93-L270 HydrophobicContact CD1-CD2 4Å; Y93-L270 HydrophobicContact CE1-CD2 3.97Å; Y93-Q310 PolarHBondContact O-NE2 2.92Å
94	D	97.6	Very high	96.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110.7	173.4	-170.3	-64.4	0	0	0	108.2	D96 A97 Q98 K99 F110 W111 K307	D94-D96 VanDerWaalsContact C-N 3.35Å; D94-D96 PolarHBondContact OD1-N 3.3Å; D94-D96 VanDerWaalsContact OD1-N 3.14Å; D94-A97 HydrophobicContact CB-CB 4.26Å; D94-A97 WeakPolarHBondContact OD1-CB 3.48Å; D94-A97 PolarHBondContact OD1-N 3.45Å; D94-Q98 VanDerWaalsContact O-CA 3.27Å; D94-Q98 WeakPolarHBondContact O-CA 3.2Å; D94-Q98 PolarHBondContact O-N 3.15Å; D94-K99 PolarHBondContact N-O 3.12Å; D94-K99 PolarHBondContact O-N 3.19Å; D94-F110 HydrophobicContact CB-CE1 3.99Å; D94-F110 HydrophobicContact CB-CZ 4.24Å; D94-F110 WeakPolarHBondContact OD2-CZ 3.21Å; D94-W111 HydrophobicContact CB-CH2 3.66Å; D94-W111 HydrophobicContact CB-CZ3 3.96Å; D94-K307 VanDerWaalsContact CG-NZ 3.35Å; D94-K307 IonicContact OD1-NZ 3.74Å; D94-K307 PolarHBondContact OD1-NZ 3.4Å; D94-K307 WeakPolarHBondContact OD2-CE 3.39Å; D94-K307 IonicContact OD2-NZ 3.79Å; D94-K307 PolarHBondContact OD2-NZ 3.41Å
95	A	93.8	Very high	96.2	Very high	60 Å²	60	50.5 Å²	50.5	50%	0.496	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-33	-175	0	0	0	0	0	112.8	Y93	Y93-A95 HydrophobicContact CE1-CB 3.89Å
96	D	94.9	Very high	96.1	Very high	127 Å²	127	51.6 Å²	51.6	68%	0.679	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-43.8	-178.1	-55.7	-31.8	0	0	0	110.8	D94 Q98 K307	D94-D96 VanDerWaalsContact C-N 3.35Å; D94-D96 PolarHBondContact OD1-N 3.3Å; D94-D96 VanDerWaalsContact OD1-N 3.14Å; D96-Q98 VanDerWaalsContact C-N 3.31Å; D96-K307 VanDerWaalsContact OD2-CD 3.31Å; D96-K307 WeakPolarHBondContact OD2-CD 3.4Å; D96-K307 IonicContact OD2-NZ 2.61Å; D96-K307 PolarHBondContact OD2-NZ 2.94Å
97	A	96.4	Very high	96	Very high	39 Å²	39	55.2 Å²	55.2	32%	0.322	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.3	178.3	0	0	0	0	0	112.9	D94 K99 F110	D94-A97 HydrophobicContact CB-CB 4.26Å; D94-A97 WeakPolarHBondContact OD1-CB 3.48Å; D94-A97 PolarHBondContact OD1-N 3.45Å; A97-K99 HydrophobicContact CB-CB 4.38Å; A97-K99 HydrophobicContact CB-CD 4.26Å; A97-K99 HydrophobicContact CB-CG 4.07Å; A97-K99 PolarHBondContact O-N 2.83Å; A97-F110 HydrophobicContact CB-CE1 3.97Å; A97-F110 HydrophobicContact CB-CE2 3.99Å; A97-F110 HydrophobicContact CB-CZ 3.47Å; A97-F110 VanDerWaalsContact CB-CZ 3.47Å
98	Q	95.8	Very high	96	Very high	157 Å²	157	57.7 Å²	57.7	73%	0.734	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	38.8	-171.6	-54.6	-170	-65.2	0	0	112.8	D94 D96	D94-Q98 VanDerWaalsContact O-CA 3.27Å; D94-Q98 WeakPolarHBondContact O-CA 3.2Å; D94-Q98 PolarHBondContact O-N 3.15Å; D96-Q98 VanDerWaalsContact C-N 3.31Å
99	K	97.1	Very high	96	Very high	74 Å²	74	59.2 Å²	59.2	32%	0.322	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147.7	-179.2	-69.1	-175.1	177.1	-174.9	0	111.3	Y93 D94 A97 D108 F110 W111	Y93-K99 VanDerWaalsContact CD2-O 3.23Å; Y93-K99 WeakPolarHBondContact CD2-O 3.22Å; D94-K99 PolarHBondContact N-O 3.12Å; D94-K99 PolarHBondContact O-N 3.19Å; A97-K99 HydrophobicContact CB-CB 4.38Å; A97-K99 HydrophobicContact CB-CD 4.26Å; A97-K99 HydrophobicContact CB-CG 4.07Å; A97-K99 PolarHBondContact O-N 2.83Å; K99-D108 WeakPolarHBondContact CE-OD2 3.45Å; K99-D108 IonicContact NZ-OD1 3.41Å; K99-D108 IonicContact NZ-OD2 3.33Å; K99-D108 PolarHBondContact NZ-OD2 3.02Å; K99-F110 HydrophobicContact CD-CD1 3.91Å; K99-F110 HydrophobicContact CD-CE1 4.3Å; K99-F110 HydrophobicContact CD-CG 4.22Å; K99-W111 HydrophobicContact CB-CH2 4.32Å; K99-W111 HydrophobicContact CB-CZ2 3.54Å; K99-W111 WeakPolarHBondContact O-CH2 3.37Å; K99-W111 WeakPolarHBondContact O-CZ2 3.31Å
100	T	97.4	Very high	96	Very high	88 Å²	88	62 Å²	62	54%	0.54	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	147.4	168.9	52.7	0	0	0	0	110.6	M92 Y93 W111	M92-T100 WeakPolarHBondContact O-CA 3.48Å; Y93-T100 HydrophobicContact CD2-CG2 3.8Å; Y93-T100 HydrophobicContact CE2-CG2 4.5Å; T100-W111 VanDerWaalsContact C-CZ2 3.42Å
101	F	98.1	Very high	96.1	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.018	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.1	170.7	-177.2	-91.1	0	0	0	108.3	F70 M87 N90 D91 M92 D106 W111 W112	F70-F101 AromaticContact CD1-CE1 3.91Å; F70-F101 HydrophobicContact CD1-CE1 3.91Å; F70-F101 AromaticContact CD1-CZ 3.54Å; F70-F101 HydrophobicContact CD1-CZ 3.54Å; F70-F101 HydrophobicContact CE1-CE1 4.24Å; F70-F101 AromaticContact CE1-CZ 3.7Å; F70-F101 HydrophobicContact CE1-CZ 3.7Å; F70-F101 HydrophobicContact CG-CE1 4.39Å; F70-F101 HydrophobicContact CG-CZ 4.44Å; M87-F101 HydrophobicContact CE-CE2 3.78Å; M87-F101 HydrophobicContact CE-CZ 3.96Å; M87-F101 HydrophobicContact SD-CE2 4.31Å; M87-F101 HydrophobicContact SD-CZ 4.18Å; N90-F101 WeakPolarHBondContact O-CD1 3.46Å; D91-F101 WeakPolarHBondContact CA-O 3.08Å; M92-F101 HydrophobicContact CB-CB 4.03Å; M92-F101 HydrophobicContact CE-CB 3.74Å; M92-F101 HydrophobicContact CE-CD1 3.47Å; M92-F101 VanDerWaalsContact CE-CD1 3.47Å; M92-F101 HydrophobicContact CE-CD2 4.03Å; M92-F101 HydrophobicContact CE-CE1 4.01Å; M92-F101 HydrophobicContact CE-CE2 4.48Å; M92-F101 HydrophobicContact CE-CG 3.47Å; M92-F101 VanDerWaalsContact CE-CG 3.47Å; M92-F101 HydrophobicContact CE-CZ 4.48Å; M92-F101 PolarHBondContact N-O 3.02Å; M92-F101 PolarHBondContact O-N 3.13Å; F101-D106 HydrophobicContact CD2-CB 4.41Å; F101-D106 HydrophobicContact CE1-CB 4.47Å; F101-D106 VanDerWaalsContact CE2-CA 3.41Å; F101-D106 HydrophobicContact CE2-CB 3.53Å; F101-D106 HydrophobicContact CZ-CB 3.55Å; F101-W111 HydrophobicContact CB-CD2 3.81Å; F101-W111 HydrophobicContact CB-CE3 4.13Å; F101-W111 HydrophobicContact CB-CG 4.27Å; F101-W111 HydrophobicContact CB-CH2 4.15Å; F101-W111 HydrophobicContact CB-CZ2 3.83Å; F101-W111 HydrophobicContact CB-CZ3 4.3Å; F101-W111 HydrophobicContact CD2-CB 3.82Å; F101-W111 AromaticContact CD2-CD1 3.54Å; F101-W111 AromaticContact CD2-CD2 3.95Å; F101-W111 HydrophobicContact CD2-CD2 3.95Å; F101-W111 AromaticContact CD2-CG 3.49Å; F101-W111 HydrophobicContact CD2-CG 3.49Å; F101-W111 VanDerWaalsContact CD2-CG 3.49Å; F101-W111 AromaticContact CD2-NE1 3.96Å; F101-W111 HydrophobicContact CE2-CB 4.07Å; F101-W111 HydrophobicContact CE2-CG 4.22Å; F101-W111 HydrophobicContact CG-CD2 4.25Å; F101-W111 HydrophobicContact CG-CG 4.25Å; F101-W112 HydrophobicContact CE2-CZ2 4.21Å; F101-W112 HydrophobicContact CZ-CZ2 4.09Å
102	S	96.4	Very high	96.1	Very high	26 Å²	26	59 Å²	59	18%	0.182	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-149.3	166.4	166.6	69.6	0	0	0	0	109.8	N90 D91 F104 N105 D106	N90-S102 CarbonylContact O-C 3.58Å; N90-S102 WeakPolarHBondContact O-CA 3.27Å; D91-S102 WeakPolarHBondContact OD1-CA 3.32Å; D91-S102 WeakPolarHBondContact OD1-CB 3.35Å; S102-F104 PolarHBondContact O-N 3.49Å; S102-F104 PolarHBondContact OG-N 2.84Å; S102-N105 PolarHBondContact N-O 3.24Å; S102-N105 CarbonylContact O-C 3.54Å; S102-N105 PolarHBondContact O-N 3.46Å; S102-N105 PolarHBondContact OG-N 3.37Å; S102-D106 PolarHBondContact O-N 3.26Å
103	Q	87.9	Confident	96.2	Very high	93 Å²	93	61.7 Å²	61.7	44%	0.435	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-12	171.2	68.3	-177.6	12.8	0	0	114.7	F70 N90	F70-Q103 HydrophobicContact CE2-CB 4.18Å; N90-Q103 PolarHBondContact O-N 3.07Å
104	F	90.3	Very high	96.2	Very high	176 Å²	176	62.8 Å²	62.8	77%	0.772	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-3.8	176.1	-54.4	-65.6	0	0	0	113	S102	S102-F104 PolarHBondContact O-N 3.49Å; S102-F104 PolarHBondContact OG-N 2.84Å
105	N	94.8	Very high	96.2	Very high	87 Å²	87	63 Å²	63	47%	0.465	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-146.1	71.9	179.9	-178	36.2	0	0	0	109.8	S102	S102-N105 PolarHBondContact N-O 3.24Å; S102-N105 CarbonylContact O-C 3.54Å; S102-N105 PolarHBondContact O-N 3.46Å; S102-N105 PolarHBondContact OG-N 3.37Å
106	D	95.8	Very high	96.4	Very high	22 Å²	22	61.5 Å²	61.5	12%	0.118	32%	0.324	C	S	.	.			trans	-116.2	-2.5	-170.3	66.7	-21.6	0	0	0	113.7	F70 F101 S102 D108 W112	F70-D106 HydrophobicContact CE1-CB 3.88Å; F70-D106 HydrophobicContact CZ-CB 4.34Å; F101-D106 HydrophobicContact CD2-CB 4.41Å; F101-D106 HydrophobicContact CE1-CB 4.47Å; F101-D106 VanDerWaalsContact CE2-CA 3.41Å; F101-D106 HydrophobicContact CE2-CB 3.53Å; F101-D106 HydrophobicContact CZ-CB 3.55Å; S102-D106 PolarHBondContact O-N 3.26Å; D106-D108 VanDerWaalsContact C-N 3.32Å; D106-D108 PolarHBondContact O-N 2.9Å; D106-W112 HydrophobicContact CB-CZ2 4.41Å; D106-W112 PolarHBondContact O-NE1 3.4Å
107	S	96.6	Very high	96.6	Very high	77 Å²	77	55.4 Å²	55.4	54%	0.538	29%	0.292	S	S	.	.			trans	-79.8	-3.6	-168	-56.8	0	0	0	0	115.7	P109	S107-P109 WeakPolarHBondContact O-CD 3.31Å
108	D	97.8	Very high	96.7	Very high	51 Å²	51	53.6 Å²	53.6	27%	0.273	28%	0.276	S	S	.	.			trans	-82.3	115.4	179.8	-175.9	-12.2	0	0	0	111.1	K99 D106 F110 W111	K99-D108 WeakPolarHBondContact CE-OD2 3.45Å; K99-D108 IonicContact NZ-OD1 3.41Å; K99-D108 IonicContact NZ-OD2 3.33Å; K99-D108 PolarHBondContact NZ-OD2 3.02Å; D106-D108 VanDerWaalsContact C-N 3.32Å; D106-D108 PolarHBondContact O-N 2.9Å; D108-F110 PolarHBondContact O-N 3.37Å; D108-F110 WeakPolarHBondContact OD1-CB 3.4Å; D108-F110 PolarHBondContact OD1-N 2.97Å; D108-W111 PolarHBondContact O-N 2.71Å
109	P	98.1	Very high	96.9	Very high	35 Å²	35	46.1 Å²	46.1	23%	0.227	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-58	-19.6	180	-24	34.5	0	0	0	114.8	S107 W111 W112 N113 V139 K140	S107-P109 WeakPolarHBondContact O-CD 3.31Å; P109-W111 PolarHBondContact O-N 3.41Å; P109-W111 VanDerWaalsContact O-N 3.13Å; P109-W112 PolarHBondContact O-N 3.38Å; P109-N113 WeakPolarHBondContact O-CB 3.25Å; P109-N113 PolarHBondContact O-N 3.49Å; P109-N113 PolarHBondContact O-ND2 3.27Å; P109-N113 VanDerWaalsContact O-ND2 3.16Å; P109-N113 PolarHBondContact O-OD1 3.07Å; P109-V139 HydrophobicContact CB-CG1 4.22Å; P109-V139 HydrophobicContact CG-CG1 3.92Å; P109-K140 HydrophobicContact CG-CB 4.32Å
110	F	98.1	Very high	96.9	Very high	60 Å²	60	42.7 Å²	42.7	26%	0.263	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-47.2	-40	173.4	171.8	-98.7	0	0	0	112.5	D94 A97 K99 D108 R308	D94-F110 HydrophobicContact CB-CE1 3.99Å; D94-F110 HydrophobicContact CB-CZ 4.24Å; D94-F110 WeakPolarHBondContact OD2-CZ 3.21Å; A97-F110 HydrophobicContact CB-CE1 3.97Å; A97-F110 HydrophobicContact CB-CE2 3.99Å; A97-F110 HydrophobicContact CB-CZ 3.47Å; A97-F110 VanDerWaalsContact CB-CZ 3.47Å; K99-F110 HydrophobicContact CD-CD1 3.91Å; K99-F110 HydrophobicContact CD-CE1 4.3Å; K99-F110 HydrophobicContact CD-CG 4.22Å; D108-F110 PolarHBondContact O-N 3.37Å; D108-F110 WeakPolarHBondContact OD1-CB 3.4Å; D108-F110 PolarHBondContact OD1-N 2.97Å; F110-R308 PolarHBondContact O-NH2 2.95Å
111	W	98.3	Very high	97	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.008	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-75.3	-25.1	-178.3	-60.5	106.2	0	0	0	113.6	M87 M92 D94 K99 T100 F101 D108 P109 R308	M87-W111 HydrophobicContact CE-CB 3.59Å; M87-W111 WeakPolarHBondContact CE-O 3.29Å; M87-W111 HydrophobicContact SD-CB 4.21Å; M92-W111 HydrophobicContact CB-CH2 4.35Å; M92-W111 HydrophobicContact CB-CZ3 3.96Å; M92-W111 HydrophobicContact CE-CD2 4.28Å; M92-W111 HydrophobicContact CE-CE3 3.68Å; M92-W111 HydrophobicContact CE-CZ3 4.19Å; D94-W111 HydrophobicContact CB-CH2 3.66Å; D94-W111 HydrophobicContact CB-CZ3 3.96Å; K99-W111 HydrophobicContact CB-CH2 4.32Å; K99-W111 HydrophobicContact CB-CZ2 3.54Å; K99-W111 WeakPolarHBondContact O-CH2 3.37Å; K99-W111 WeakPolarHBondContact O-CZ2 3.31Å; T100-W111 VanDerWaalsContact C-CZ2 3.42Å; F101-W111 HydrophobicContact CB-CD2 3.81Å; F101-W111 HydrophobicContact CB-CE3 4.13Å; F101-W111 HydrophobicContact CB-CG 4.27Å; F101-W111 HydrophobicContact CB-CH2 4.15Å; F101-W111 HydrophobicContact CB-CZ2 3.83Å; F101-W111 HydrophobicContact CB-CZ3 4.3Å; F101-W111 HydrophobicContact CD2-CB 3.82Å; F101-W111 AromaticContact CD2-CD1 3.54Å; F101-W111 AromaticContact CD2-CD2 3.95Å; F101-W111 HydrophobicContact CD2-CD2 3.95Å; F101-W111 AromaticContact CD2-CG 3.49Å; F101-W111 HydrophobicContact CD2-CG 3.49Å; F101-W111 VanDerWaalsContact CD2-CG 3.49Å; F101-W111 AromaticContact CD2-NE1 3.96Å; F101-W111 HydrophobicContact CE2-CB 4.07Å; F101-W111 HydrophobicContact CE2-CG 4.22Å; F101-W111 HydrophobicContact CG-CD2 4.25Å; F101-W111 HydrophobicContact CG-CG 4.25Å; D108-W111 PolarHBondContact O-N 2.71Å; P109-W111 PolarHBondContact O-N 3.41Å; P109-W111 VanDerWaalsContact O-N 3.13Å; W111-R308 HydrophobicContact CZ3-CG 4.08Å; W111-R308 PolarHBondContact O-NH1 2.98Å
112	W	98.4	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-25.9	-170.3	-57.5	85.5	0	0	0	113.5	F70 Y74 M87 F101 D106 P109 E114 A115 P135 G136 V139 I141	F70-W112 AromaticContact CD1-CH2 3.48Å; F70-W112 HydrophobicContact CD1-CH2 3.48Å; F70-W112 VanDerWaalsContact CD1-CH2 3.48Å; F70-W112 AromaticContact CD1-CZ2 3.86Å; F70-W112 HydrophobicContact CD1-CZ2 3.86Å; F70-W112 AromaticContact CE1-CH2 3.73Å; F70-W112 HydrophobicContact CE1-CH2 3.73Å; F70-W112 AromaticContact CE1-CZ2 3.79Å; F70-W112 HydrophobicContact CE1-CZ2 3.79Å; Y74-W112 AromaticContact CD2-CE3 3.84Å; Y74-W112 HydrophobicContact CD2-CE3 3.84Å; Y74-W112 AromaticContact CD2-CZ3 3.83Å; Y74-W112 HydrophobicContact CD2-CZ3 3.83Å; Y74-W112 HydrophobicContact CE1-CE3 4.35Å; Y74-W112 AromaticContact CE2-CE3 3.68Å; Y74-W112 HydrophobicContact CE2-CE3 3.68Å; Y74-W112 HydrophobicContact CE2-CZ3 4.14Å; Y74-W112 HydrophobicContact CG-CE3 4.29Å; Y74-W112 HydrophobicContact CG-CZ3 4.23Å; Y74-W112 AromaticContact CZ-CE3 3.95Å; Y74-W112 PolarHBondContact OH-O 3.4Å; M87-W112 HydrophobicContact CE-CB 4.26Å; M87-W112 HydrophobicContact CE-CD2 2.98Å; M87-W112 HydrophobicContact CE-CE3 3.32Å; M87-W112 HydrophobicContact CE-CG 3.41Å; M87-W112 VanDerWaalsContact CE-CG 3.41Å; M87-W112 HydrophobicContact CE-CH2 3.8Å; M87-W112 HydrophobicContact CE-CZ2 3.51Å; M87-W112 HydrophobicContact CE-CZ3 3.7Å; M87-W112 HydrophobicContact CG-CE3 4.27Å; M87-W112 HydrophobicContact CG-CZ3 4.32Å; F101-W112 HydrophobicContact CE2-CZ2 4.21Å; F101-W112 HydrophobicContact CZ-CZ2 4.09Å; D106-W112 HydrophobicContact CB-CZ2 4.41Å; D106-W112 PolarHBondContact O-NE1 3.4Å; P109-W112 PolarHBondContact O-N 3.38Å; W112-E114 PolarHBondContact O-N 2.94Å; W112-A115 PolarHBondContact O-N 3.35Å; W112-P135 HydrophobicContact CH2-CB 4.14Å; W112-G136 VanDerWaalsContact CH2-CA 3.46Å; W112-G136 VanDerWaalsContact CH2-N 3.31Å; W112-V139 HydrophobicContact CG-CG1 4.2Å; W112-V139 HydrophobicContact CZ2-CG2 4.46Å; W112-I141 HydrophobicContact CB-CB 4.44Å; W112-I141 HydrophobicContact CB-CD1 3.68Å; W112-I141 HydrophobicContact CB-CG1 3.59Å; W112-I141 HydrophobicContact CB-CG2 4.16Å; W112-I141 HydrophobicContact CD2-CD1 4.08Å; W112-I141 HydrophobicContact CE3-CD1 3.97Å; W112-I141 HydrophobicContact CG-CD1 4.03Å; W112-I141 HydrophobicContact CG-CG1 4.09Å
113	N	98.2	Very high	97	Very high	62 Å²	62	39.3 Å²	39.3	33%	0.332	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	2	-170.3	-74.7	-21	0	0	0	115.7	P109 I141 H142	P109-N113 WeakPolarHBondContact O-CB 3.25Å; P109-N113 PolarHBondContact O-N 3.49Å; P109-N113 PolarHBondContact O-ND2 3.27Å; P109-N113 VanDerWaalsContact O-ND2 3.16Å; P109-N113 PolarHBondContact O-OD1 3.07Å; N113-I141 WeakPolarHBondContact OD1-CA 3.35Å; N113-H142 PolarHBondContact O-CE1 3.37Å; N113-H142 PolarHBondContact O-NE2 3.18Å; N113-H142 PolarHBondContact OD1-N 2.92Å
114	E	97.8	Very high	97.3	Very high	77 Å²	77	40.2 Å²	40.2	36%	0.36	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-12.3	172.3	-70.8	-179	-155.8	0	0	112.1	G86 W112 N306 R308	G86-E114 WeakPolarHBondContact CA-OE2 3.4Å; W112-E114 PolarHBondContact O-N 2.94Å; E114-N306 PolarHBondContact OE2-ND2 3.3Å; E114-R308 IonicContact OE1-CZ 3.38Å; E114-R308 IonicContact OE1-NE 3.48Å; E114-R308 PolarHBondContact OE1-NE 3.16Å; E114-R308 IonicContact OE1-NH2 3.44Å; E114-R308 PolarHBondContact OE1-NH2 3.02Å
115	A	98.2	Very high	97.3	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.041	19%	0.189	C	C	.	.	S	Bend	trans	-138.8	157.2	175	0	0	0	0	0	113	Y74 T78 L80 H85 W112 P117 H142	Y74-A115 HydrophobicContact CE1-CB 3.84Å; Y74-A115 PolarHBondContact OH-O 3.19Å; Y74-A115 VanDerWaalsContact OH-O 3.09Å; T78-A115 HydrophobicContact CG2-CB 3.72Å; L80-A115 HydrophobicContact CD1-CB 3.59Å; H85-A115 HydrophobicContact CB-CB 3.63Å; W112-A115 PolarHBondContact O-N 3.35Å; A115-P117 WeakPolarHBondContact O-CD 3.28Å; A115-H142 PolarHBondContact O-NE2 3.15Å
116	V	98.6	Very high	97.1	Very high	29 Å²	29	37.2 Å²	37.2	18%	0.176	21%	0.208	C	C	.	.			trans	-105.5	106	176.5	-179	0	0	0	0	108.9	V120 Q381	V116-V120 HydrophobicContact CG1-CB 3.95Å; V116-V120 HydrophobicContact CG1-CG1 3.8Å; V116-Q381 HydrophobicContact CB-CG 4Å; V116-Q381 HydrophobicContact CG1-CG 4.06Å
117	P	98.8	Very high	97	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.			trans	-73.8	159.9	-179.9	29.8	-34.5	0	0	0	111.8	Y74 V77 T78 A115 W119 V120 T121 I141	Y74-P117 HydrophobicContact CE2-CB 4.03Å; Y74-P117 HydrophobicContact CE2-CG 4.23Å; V77-P117 HydrophobicContact CB-CB 4.49Å; V77-P117 HydrophobicContact CG2-CB 4.03Å; V77-P117 CarbonylContact O-C 3.54Å; V77-P117 WeakPolarHBondContact O-CA 3.41Å; T78-P117 HydrophobicContact CG2-CB 4.19Å; A115-P117 WeakPolarHBondContact O-CD 3.28Å; P117-W119 VanDerWaalsContact C-N 3.25Å; P117-W119 HydrophobicContact CB-CD2 3.79Å; P117-W119 HydrophobicContact CB-CE3 3.79Å; P117-W119 HydrophobicContact CB-CH2 3.57Å; P117-W119 HydrophobicContact CB-CZ2 3.57Å; P117-W119 HydrophobicContact CB-CZ3 3.69Å; P117-W119 HydrophobicContact CG-CD2 3.85Å; P117-W119 HydrophobicContact CG-CE3 4.35Å; P117-W119 HydrophobicContact CG-CG 4.49Å; P117-W119 HydrophobicContact CG-CH2 3.91Å; P117-W119 HydrophobicContact CG-CZ2 3.35Å; P117-W119 HydrophobicContact CG-CZ3 4.38Å; P117-W119 PolarHBondContact O-N 3.35Å; P117-W119 VanDerWaalsContact O-N 3.16Å; P117-V120 HydrophobicContact CG-CB 4.41Å; P117-V120 HydrophobicContact CG-CG2 3.85Å; P117-V120 WeakPolarHBondContact O-CB 3.36Å; P117-V120 PolarHBondContact O-N 2.8Å; P117-T121 PolarHBondContact O-N 2.81Å; P117-T121 PolarHBondContact O-OG1 2.83Å; P117-I141 HydrophobicContact CG-CD1 4.03Å; P117-I141 HydrophobicContact CG-CG2 4.27Å
118	I	98.8	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-31.4	-172.2	-166.1	170.4	0	0	0	113.5	V77 V120 T121 N122 F178 Y369 M372 L376 L378	V77-I118 HydrophobicContact CB-CG2 4.14Å; V77-I118 HydrophobicContact CG1-CG2 4.46Å; V77-I118 PolarHBondContact O-N 3.25Å; I118-V120 VanDerWaalsContact C-N 3.31Å; I118-V120 PolarHBondContact O-N 3.4Å; I118-T121 PolarHBondContact O-N 3.24Å; I118-N122 VanDerWaalsContact O-CB 3.28Å; I118-N122 WeakPolarHBondContact O-CB 3.5Å; I118-N122 PolarHBondContact O-N 3.01Å; I118-F178 HydrophobicContact CG2-CD1 4.11Å; I118-F178 HydrophobicContact CG2-CE1 3.35Å; I118-F178 HydrophobicContact CG2-CE2 4Å; I118-F178 HydrophobicContact CG2-CZ 3.27Å; I118-Y369 HydrophobicContact CB-CD2 4.03Å; I118-Y369 HydrophobicContact CB-CE2 3.76Å; I118-Y369 HydrophobicContact CD1-CD2 4.39Å; I118-Y369 HydrophobicContact CD1-CE2 4.47Å; I118-Y369 HydrophobicContact CG1-CD2 4.48Å; I118-Y369 HydrophobicContact CG1-CE2 4.14Å; I118-M372 HydrophobicContact CD1-CB 3.41Å; I118-M372 VanDerWaalsContact CD1-CB 3.41Å; I118-M372 HydrophobicContact CD1-CE 4.01Å; I118-M372 HydrophobicContact CD1-CG 4.49Å; I118-M372 HydrophobicContact CD1-SD 4.42Å; I118-M372 HydrophobicContact CG2-CE 4.31Å; I118-L376 HydrophobicContact CD1-CD1 4.1Å; I118-L378 HydrophobicContact CG1-CD1 4.15Å
119	W	98.8	Very high	97.1	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-32.6	176.3	58.9	88	0	0	0	112.9	Y74 V77 P117 Q123 S129 T137 I141 P146 F178	Y74-W119 HydrophobicContact CE2-CH2 4.45Å; V77-W119 HydrophobicContact CB-CE3 4.39Å; V77-W119 HydrophobicContact CB-CZ3 3.78Å; V77-W119 HydrophobicContact CG1-CZ3 3.98Å; V77-W119 HydrophobicContact CG2-CH2 3.9Å; V77-W119 HydrophobicContact CG2-CZ3 3.54Å; P117-W119 VanDerWaalsContact C-N 3.25Å; P117-W119 HydrophobicContact CB-CD2 3.79Å; P117-W119 HydrophobicContact CB-CE3 3.79Å; P117-W119 HydrophobicContact CB-CH2 3.57Å; P117-W119 HydrophobicContact CB-CZ2 3.57Å; P117-W119 HydrophobicContact CB-CZ3 3.69Å; P117-W119 HydrophobicContact CG-CD2 3.85Å; P117-W119 HydrophobicContact CG-CE3 4.35Å; P117-W119 HydrophobicContact CG-CG 4.49Å; P117-W119 HydrophobicContact CG-CH2 3.91Å; P117-W119 HydrophobicContact CG-CZ2 3.35Å; P117-W119 HydrophobicContact CG-CZ3 4.38Å; P117-W119 PolarHBondContact O-N 3.35Å; P117-W119 VanDerWaalsContact O-N 3.16Å; W119-Q123 PolarHBondContact O-N 2.98Å; W119-S129 WeakPolarHBondContact CA-OG 3.44Å; W119-S129 PolarHBondContact O-OG 3.01Å; W119-S129 VanDerWaalsContact O-OG 3.14Å; W119-T137 HydrophobicContact CD2-CG2 4.12Å; W119-T137 HydrophobicContact CE3-CG2 4.02Å; W119-T137 HydrophobicContact CH2-CG2 3.82Å; W119-T137 HydrophobicContact CZ2-CG2 3.91Å; W119-T137 HydrophobicContact CZ3-CG2 3.85Å; W119-I141 HydrophobicContact CZ2-CD1 3.75Å; W119-P146 HydrophobicContact CB-CG 4.19Å; W119-P146 HydrophobicContact CG-CG 3.93Å; W119-F178 HydrophobicContact CB-CD1 4.11Å; W119-F178 HydrophobicContact CB-CE1 4.19Å; W119-F178 HydrophobicContact CE3-CE1 4.49Å
120	V	98.6	Very high	97.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-71.4	-45.5	172.6	178.2	0	0	0	0	109.5	V116 P117 I118 N122 Q123 Q124 T144	V116-V120 HydrophobicContact CG1-CB 3.95Å; V116-V120 HydrophobicContact CG1-CG1 3.8Å; P117-V120 HydrophobicContact CG-CB 4.41Å; P117-V120 HydrophobicContact CG-CG2 3.85Å; P117-V120 WeakPolarHBondContact O-CB 3.36Å; P117-V120 PolarHBondContact O-N 2.8Å; I118-V120 VanDerWaalsContact C-N 3.31Å; I118-V120 PolarHBondContact O-N 3.4Å; V120-N122 VanDerWaalsContact C-N 3.29Å; V120-N122 PolarHBondContact O-N 2.94Å; V120-Q123 PolarHBondContact O-N 3.46Å; V120-Q123 VanDerWaalsContact O-N 3.16Å; V120-Q124 WeakPolarHBondContact O-CG 3.41Å; V120-Q124 PolarHBondContact O-N 2.82Å; V120-T144 HydrophobicContact CG1-CG2 4.42Å; V120-T144 HydrophobicContact CG2-CG2 4.14Å
121	T	98.1	Very high	97.2	Very high	8 Å²	8	29 Å²	29	5%	0.049	15%	0.154	C	C	.	.	H	α-helix	trans	-57	-43.1	175.8	-55.2	0	0	0	0	111.4	P117 I118 Q123 Q124 G125 L378 Q381	P117-T121 PolarHBondContact O-N 2.81Å; P117-T121 PolarHBondContact O-OG1 2.83Å; I118-T121 PolarHBondContact O-N 3.24Å; T121-Q123 PolarHBondContact O-N 3.21Å; T121-Q124 PolarHBondContact O-N 3.15Å; T121-G125 PolarHBondContact O-N 2.79Å; T121-L378 HydrophobicContact CG2-CD1 4.46Å; T121-Q381 HydrophobicContact CG2-CG 4.42Å
122	N	97.8	Very high	97.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-40.5	178	-169.6	50.6	0	0	0	112.1	I118 V120 G125 R127 A128 S129 S177 L378	I118-N122 VanDerWaalsContact O-CB 3.28Å; I118-N122 WeakPolarHBondContact O-CB 3.5Å; I118-N122 PolarHBondContact O-N 3.01Å; V120-N122 VanDerWaalsContact C-N 3.29Å; V120-N122 PolarHBondContact O-N 2.94Å; N122-G125 WeakPolarHBondContact O-CA 3.48Å; N122-G125 PolarHBondContact O-N 3.42Å; N122-G125 VanDerWaalsContact O-N 3.12Å; N122-R127 WeakPolarHBondContact O-CB 3.45Å; N122-R127 PolarHBondContact O-N 2.98Å; N122-R127 VanDerWaalsContact OD1-CD 3.25Å; N122-R127 WeakPolarHBondContact OD1-CD 3.44Å; N122-A128 PolarHBondContact ND2-O 2.73Å; N122-S129 PolarHBondContact ND2-OG 3.4Å; N122-S177 PolarHBondContact ND2-OG 2.78Å; N122-S177 PolarHBondContact OD1-OG 3.39Å; N122-L378 HydrophobicContact CB-CD1 3.95Å
123	Q	96.8	Very high	97.2	Very high	39 Å²	39	29.1 Å²	29.1	18%	0.182	16%	0.155	C	C	.	.	H	α-helix	trans	-72.3	-31.7	177.8	-81.5	175	-168.6	0	0	113.9	W119 V120 T121 G125 N126 R127 T145 P146	W119-Q123 PolarHBondContact O-N 2.98Å; V120-Q123 PolarHBondContact O-N 3.46Å; V120-Q123 VanDerWaalsContact O-N 3.16Å; T121-Q123 PolarHBondContact O-N 3.21Å; Q123-G125 PolarHBondContact O-N 3.03Å; Q123-N126 PolarHBondContact O-N 2.88Å; Q123-R127 WeakPolarHBondContact CA-O 3.32Å; Q123-R127 WeakPolarHBondContact CG-O 3.2Å; Q123-T145 PolarHBondContact NE2-O 3.06Å; Q123-T145 PolarHBondContact OE1-O 3.14Å; Q123-P146 VanDerWaalsContact OE1-CA 3.25Å
124	Q	94.4	Very high	97.2	Very high	113 Å²	113	26.2 Å²	26.2	53%	0.528	14%	0.139	S	C	.	.	H	α-helix	trans	-61.8	-26.1	168.5	-70.3	171.5	-7.6	0	0	111.9	V120 T121 N126	V120-Q124 WeakPolarHBondContact O-CG 3.41Å; V120-Q124 PolarHBondContact O-N 2.82Å; T121-Q124 PolarHBondContact O-N 3.15Å; Q124-N126 VanDerWaalsContact C-N 3.25Å; Q124-N126 PolarHBondContact O-N 3.26Å
125	G	90.8	Very high	97.2	Very high	38 Å²	38	23.2 Å²	23.2	39%	0.392	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	14	171.7	0	0	0	0	0	115.3	T121 N122 Q123 R127	T121-G125 PolarHBondContact O-N 2.79Å; N122-G125 WeakPolarHBondContact O-CA 3.48Å; N122-G125 PolarHBondContact O-N 3.42Å; N122-G125 VanDerWaalsContact O-N 3.12Å; Q123-G125 PolarHBondContact O-N 3.03Å; G125-R127 VanDerWaalsContact C-N 3.34Å; G125-R127 PolarHBondContact O-N 3.23Å
126	N	90.4	Very high	97.2	Very high	162 Å²	162	23 Å²	23	87%	0.866	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	36	-175.8	-60.2	-50	0	0	0	114.4	Q123 Q124	Q123-N126 PolarHBondContact O-N 2.88Å; Q124-N126 VanDerWaalsContact C-N 3.25Å; Q124-N126 PolarHBondContact O-N 3.26Å
127	R	94.6	Very high	97.2	Very high	68 Å²	68	21.6 Å²	21.6	26%	0.257	12%	0.116	S	C	.	.			trans	-121.1	156.5	177.8	-57.8	168	-179.3	-170.7	2.3	110.8	L24 N122 Q123 G125 S177 L376	L24-R127 HydrophobicContact CD1-CG 4.47Å; N122-R127 WeakPolarHBondContact O-CB 3.45Å; N122-R127 PolarHBondContact O-N 2.98Å; N122-R127 VanDerWaalsContact OD1-CD 3.25Å; N122-R127 WeakPolarHBondContact OD1-CD 3.44Å; Q123-R127 WeakPolarHBondContact CA-O 3.32Å; Q123-R127 WeakPolarHBondContact CG-O 3.2Å; G125-R127 VanDerWaalsContact C-N 3.34Å; G125-R127 PolarHBondContact O-N 3.23Å; R127-S177 WeakPolarHBondContact CB-OG 3.27Å; R127-L376 PolarHBondContact NH1-O 3.4Å; R127-L376 PolarHBondContact NH2-O 2.8Å
128	A	97.3	Very high	97.1	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.033	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	142.3	177.8	0	0	0	0	0	112.3	N122 Q147 P174 V176 S177	N122-A128 PolarHBondContact ND2-O 2.73Å; A128-Q147 HydrophobicContact CB-CB 4.02Å; A128-Q147 HydrophobicContact CB-CG 4.16Å; A128-P174 HydrophobicContact CB-CB 3.89Å; A128-P174 HydrophobicContact CB-CG 3.66Å; A128-V176 HydrophobicContact CB-CG2 4.2Å; A128-S177 PolarHBondContact O-N 3.29Å; A128-S177 PolarHBondContact O-OG 2.76Å
129	S	98.5	Very high	97.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	147.2	171.8	-57.5	0	0	0	0	110.5	W119 N122 Q147 F148 F178	W119-S129 WeakPolarHBondContact CA-OG 3.44Å; W119-S129 PolarHBondContact O-OG 3.01Å; W119-S129 VanDerWaalsContact O-OG 3.14Å; N122-S129 PolarHBondContact ND2-OG 3.4Å; S129-Q147 WeakPolarHBondContact O-CB 3.24Å; S129-Q147 PolarHBondContact O-N 2.83Å; S129-F148 PolarHBondContact O-N 3.03Å; S129-F178 CarbonylContact C-O 3.56Å; S129-F178 WeakPolarHBondContact CA-O 3.35Å
130	A	98.6	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.3	174.6	0	0	0	0	0	111.8	F148 W168 V176 F178 A179 T180	A130-F148 CarbonylContact C-O 3.58Å; A130-F148 WeakPolarHBondContact CA-O 3.5Å; A130-F148 HydrophobicContact CB-CB 4.19Å; A130-W168 HydrophobicContact CB-CB 3.99Å; A130-W168 HydrophobicContact CB-CD2 4.28Å; A130-W168 HydrophobicContact CB-CE3 3.76Å; A130-W168 HydrophobicContact CB-CG 4.43Å; A130-V176 HydrophobicContact CB-CG1 3.73Å; A130-V176 HydrophobicContact CB-CG2 4.35Å; A130-F178 PolarHBondContact N-O 2.89Å; A130-A179 HydrophobicContact CB-CB 4.22Å; A130-A179 CarbonylContact O-C 3.6Å; A130-A179 WeakPolarHBondContact O-CA 3.36Å; A130-T180 PolarHBondContact O-N 3.44Å
131	A	98.7	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	133.5	179.3	0	0	0	0	0	113.8	T137 P146 F148 F149 M150 W168 T180	A131-T137 HydrophobicContact CB-CG2 3.63Å; A131-P146 HydrophobicContact CB-CB 4.23Å; A131-P146 HydrophobicContact CB-CG 3.85Å; A131-F148 PolarHBondContact N-O 3.36Å; A131-F149 HydrophobicContact CB-CB 4.13Å; A131-F149 CarbonylContact O-C 3.45Å; A131-F149 WeakPolarHBondContact O-CA 3.45Å; A131-M150 PolarHBondContact O-N 3.18Å; A131-W168 WeakPolarHBondContact O-CZ3 3.4Å; A131-T180 CarbonylContact C-O 3.42Å; A131-T180 WeakPolarHBondContact CA-O 3.34Å; A131-T180 VanDerWaalsContact CB-OG1 3.31Å; A131-T180 WeakPolarHBondContact CB-OG1 3.25Å
132	A	98.7	Very high	97	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	92.7	166.4	0	0	0	0	0	108.4	W134 M150 R161 I165 T180 L181 Y182	A132-W134 VanDerWaalsContact C-N 3.32Å; A132-W134 PolarHBondContact O-N 3.12Å; A132-M150 HydrophobicContact CB-CG 4.42Å; A132-M150 HydrophobicContact CB-SD 3.86Å; A132-R161 HydrophobicContact CB-CB 4.04Å; A132-R161 HydrophobicContact CB-CG 4.47Å; A132-I165 HydrophobicContact CB-CD1 3.88Å; A132-I165 HydrophobicContact CB-CG1 3.69Å; A132-T180 PolarHBondContact N-O 3.35Å; A132-L181 HydrophobicContact CB-CD1 3.65Å; A132-Y182 PolarHBondContact O-N 3.27Å
133	M	98.2	Very high	97	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.025	20%	0.202	C	C	.	.	S	Bend	trans	64.1	23.2	165.2	-54.7	-168.2	-175.8	0	0	116.6	M150 Y152 N153 V156 Y182	M133-M150 HydrophobicContact CE-CB 4.2Å; M133-M150 HydrophobicContact CE-CE 4.02Å; M133-M150 HydrophobicContact CG-CB 4.06Å; M133-Y152 HydrophobicContact CB-CD2 4.11Å; M133-Y152 HydrophobicContact SD-CD2 4.33Å; M133-N153 HydrophobicContact CE-CB 4.01Å; M133-N153 WeakPolarHBondContact CE-O 3.31Å; M133-N153 PolarHBondContact SD-N 2.78Å; M133-N153 VanDerWaalsContact SD-N 3.43Å; M133-V156 HydrophobicContact CE-CB 3.62Å; M133-V156 HydrophobicContact CE-CG1 4.1Å; M133-V156 HydrophobicContact CE-CG2 3.61Å; M133-Y182 HydrophobicContact CB-CD1 4.38Å; M133-Y182 WeakPolarHBondContact O-CB 3.38Å; M133-Y182 WeakPolarHBondContact O-CD1 3.31Å
134	W	98.7	Very high	97.1	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.205	C	C	.	.			trans	-70.7	138.3	171.7	-170.2	-75.2	0	0	0	110.5	L29 S31 H73 I76 V77 A132 G136 T137 T180	L29-W134 HydrophobicContact CD1-CH2 4.31Å; L29-W134 HydrophobicContact CD2-CE3 4.42Å; L29-W134 HydrophobicContact CD2-CH2 3.27Å; L29-W134 HydrophobicContact CD2-CZ2 3.69Å; L29-W134 HydrophobicContact CD2-CZ3 3.67Å; L29-W134 HydrophobicContact CG-CH2 3.58Å; L29-W134 HydrophobicContact CG-CZ2 4.47Å; L29-W134 HydrophobicContact CG-CZ3 3.61Å; S31-W134 VanDerWaalsContact CB-CZ3 3.42Å; H73-W134 HydrophobicContact CB-CZ2 4.3Å; H73-W134 AromaticContact CD2-CE2 3.7Å; H73-W134 AromaticContact CD2-CH2 3.88Å; H73-W134 AromaticContact CD2-CZ2 3.58Å; H73-W134 PolarHBondContact O-NE1 3.06Å; I76-W134 HydrophobicContact CB-CZ2 4.28Å; I76-W134 HydrophobicContact CG2-CH2 4.25Å; I76-W134 HydrophobicContact CG2-CZ2 4.06Å; V77-W134 HydrophobicContact CG1-CZ2 3.68Å; A132-W134 VanDerWaalsContact C-N 3.32Å; A132-W134 PolarHBondContact O-N 3.12Å; W134-G136 PolarHBondContact O-N 2.99Å; W134-T137 HydrophobicContact CB-CG2 3.73Å; W134-T137 HydrophobicContact CG-CG2 4.36Å; W134-T137 PolarHBondContact N-OG1 2.84Å; W134-T137 WeakPolarHBondContact O-CB 3.49Å; W134-T137 WeakPolarHBondContact O-CG2 3.35Å; W134-T137 PolarHBondContact O-N 3.35Å; W134-T137 PolarHBondContact O-OG1 3.44Å; W134-T180 WeakPolarHBondContact CB-OG1 3.23Å; W134-T180 HydrophobicContact CD2-CG2 4.2Å; W134-T180 HydrophobicContact CE3-CG2 4.21Å; W134-T180 HydrophobicContact CG-CG2 4.35Å
135	P	98.2	Very high	97.3	Very high	13 Å²	13	35.7 Å²	35.7	8%	0.084	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	125.9	-179.5	-31.3	37.1	0	0	0	113.7	F70 H73 W112 T137	F70-P135 HydrophobicContact CD1-CB 4.33Å; F70-P135 HydrophobicContact CE1-CB 4.43Å; H73-P135 HydrophobicContact CB-CB 4.17Å; H73-P135 HydrophobicContact CB-CG 3.78Å; W112-P135 HydrophobicContact CH2-CB 4.14Å; P135-T137 VanDerWaalsContact C-N 3.34Å; P135-T137 PolarHBondContact O-N 3.3Å
136	G	97.8	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-6.4	179.2	0	0	0	0	0	115.5	W112 W134 D138 V139 I141	W112-G136 VanDerWaalsContact CH2-CA 3.46Å; W112-G136 VanDerWaalsContact CH2-N 3.31Å; W134-G136 PolarHBondContact O-N 2.99Å; G136-D138 VanDerWaalsContact C-N 3.32Å; G136-D138 PolarHBondContact O-N 2.86Å; G136-V139 PolarHBondContact O-N 3.12Å; G136-I141 WeakPolarHBondContact O-CD1 3.42Å
137	T	98.3	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-20.8	-178.7	56.6	0	0	0	0	114.2	W119 A131 W134 P135 P146	W119-T137 HydrophobicContact CD2-CG2 4.12Å; W119-T137 HydrophobicContact CE3-CG2 4.02Å; W119-T137 HydrophobicContact CH2-CG2 3.82Å; W119-T137 HydrophobicContact CZ2-CG2 3.91Å; W119-T137 HydrophobicContact CZ3-CG2 3.85Å; A131-T137 HydrophobicContact CB-CG2 3.63Å; W134-T137 HydrophobicContact CB-CG2 3.73Å; W134-T137 HydrophobicContact CG-CG2 4.36Å; W134-T137 PolarHBondContact N-OG1 2.84Å; W134-T137 WeakPolarHBondContact O-CB 3.49Å; W134-T137 WeakPolarHBondContact O-CG2 3.35Å; W134-T137 PolarHBondContact O-N 3.35Å; W134-T137 PolarHBondContact O-OG1 3.44Å; P135-T137 VanDerWaalsContact C-N 3.34Å; P135-T137 PolarHBondContact O-N 3.3Å; T137-P146 HydrophobicContact CG2-CG 4.11Å; T137-P146 WeakPolarHBondContact O-CD 3.3Å
138	D	97.7	Very high	98.2	Very high	37 Å²	37	30.5 Å²	30.5	20%	0.198	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	11.6	171.4	57.3	-8.3	0	0	0	113.5	G136 F149 K151 Y152	G136-D138 VanDerWaalsContact C-N 3.32Å; G136-D138 PolarHBondContact O-N 2.86Å; D138-F149 HydrophobicContact CB-CD2 3.81Å; D138-F149 HydrophobicContact CB-CE2 3.8Å; D138-K151 HydrophobicContact CB-CG 4.3Å; D138-K151 WeakPolarHBondContact OD2-CA 3.2Å; D138-Y152 PolarHBondContact OD2-N 3.22Å
139	V	98.4	Very high	98.2	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	17%	0.165	C	C	.	.	S	Bend	trans	-106.2	141.1	174.6	-174.4	0	0	0	0	110.8	P109 W112 G136 I141	P109-V139 HydrophobicContact CB-CG1 4.22Å; P109-V139 HydrophobicContact CG-CG1 3.92Å; W112-V139 HydrophobicContact CG-CG1 4.2Å; W112-V139 HydrophobicContact CZ2-CG2 4.46Å; G136-V139 PolarHBondContact O-N 3.12Å; V139-I141 HydrophobicContact CB-CG1 4.12Å; V139-I141 HydrophobicContact CG1-CG1 4.14Å; V139-I141 PolarHBondContact O-N 2.85Å
140	K	98.1	Very high	98.2	Very high	130 Å²	130	35 Å²	35	57%	0.565	17%	0.172	S	C	*	.			trans	-78	64.9	177.6	-69.7	-174.1	176	-174.6	0	112.4	P109 H142 N143 T145	P109-K140 HydrophobicContact CG-CB 4.32Å; K140-H142 PolarHBondContact O-N 3.34Å; K140-N143 PolarHBondContact O-N 3.09Å; K140-N143 VanDerWaalsContact O-N 3.09Å; K140-T145 HydrophobicContact CG-CG2 4.05Å
141	I	98.5	Very high	98.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-68.5	122.6	179.1	-51.2	177.9	0	0	0	108.9	Y74 W112 N113 P117 W119 G136 V139 N143 T144	Y74-I141 HydrophobicContact CE2-CD1 4.08Å; W112-I141 HydrophobicContact CB-CB 4.44Å; W112-I141 HydrophobicContact CB-CD1 3.68Å; W112-I141 HydrophobicContact CB-CG1 3.59Å; W112-I141 HydrophobicContact CB-CG2 4.16Å; W112-I141 HydrophobicContact CD2-CD1 4.08Å; W112-I141 HydrophobicContact CE3-CD1 3.97Å; W112-I141 HydrophobicContact CG-CD1 4.03Å; W112-I141 HydrophobicContact CG-CG1 4.09Å; N113-I141 WeakPolarHBondContact OD1-CA 3.35Å; P117-I141 HydrophobicContact CG-CD1 4.03Å; P117-I141 HydrophobicContact CG-CG2 4.27Å; W119-I141 HydrophobicContact CZ2-CD1 3.75Å; G136-I141 WeakPolarHBondContact O-CD1 3.42Å; V139-I141 HydrophobicContact CB-CG1 4.12Å; V139-I141 HydrophobicContact CG1-CG1 4.14Å; V139-I141 PolarHBondContact O-N 2.85Å; I141-N143 PolarHBondContact O-N 3.43Å; I141-T144 PolarHBondContact N-O 2.83Å; I141-T144 WeakPolarHBondContact O-CB 3.42Å; I141-T144 PolarHBondContact O-N 2.98Å; I141-T144 VanDerWaalsContact O-O 3.04Å
142	H	97.6	Very high	98.1	Very high	78 Å²	78	47.6 Å²	47.6	36%	0.361	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	44.8	-168.6	-60.2	-73.5	0	0	0	112.3	N113 A115 K140 T144	N113-H142 PolarHBondContact O-CE1 3.37Å; N113-H142 PolarHBondContact O-NE2 3.18Å; N113-H142 PolarHBondContact OD1-N 2.92Å; A115-H142 PolarHBondContact O-NE2 3.15Å; K140-H142 PolarHBondContact O-N 3.34Å; H142-T144 PolarHBondContact O-N 3.16Å; H142-T144 PolarHBondContact O-OG1 3.39Å; H142-T144 VanDerWaalsContact O-OG1 3.05Å
143	N	97.4	Very high	98	Very high	136 Å²	136	51 Å²	51	73%	0.727	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	22.2	-178.3	-162	39.2	0	0	0	114.6	K140 I141	K140-N143 PolarHBondContact O-N 3.09Å; K140-N143 VanDerWaalsContact O-N 3.09Å; I141-N143 PolarHBondContact O-N 3.43Å
144	T	97.9	Very high	97.9	Very high	42 Å²	42	57.9 Å²	57.9	26%	0.258	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-134	131.2	-171.2	-57.2	0	0	0	0	111	V120 I141 H142	V120-T144 HydrophobicContact CG1-CG2 4.42Å; V120-T144 HydrophobicContact CG2-CG2 4.14Å; I141-T144 PolarHBondContact N-O 2.83Å; I141-T144 WeakPolarHBondContact O-CB 3.42Å; I141-T144 PolarHBondContact O-N 2.98Å; I141-T144 VanDerWaalsContact O-O 3.04Å; H142-T144 PolarHBondContact O-N 3.16Å; H142-T144 PolarHBondContact O-OG1 3.39Å; H142-T144 VanDerWaalsContact O-OG1 3.05Å
145	T	98.2	Very high	97.8	Very high	34 Å²	34	61.5 Å²	61.5	21%	0.209	30%	0.299	C	S	.	.			trans	-108.5	167.6	163.9	57.3	0	0	0	0	108.7	Q123 K140 F149	Q123-T145 PolarHBondContact NE2-O 3.06Å; Q123-T145 PolarHBondContact OE1-O 3.14Å; K140-T145 HydrophobicContact CG-CG2 4.05Å; T145-F149 HydrophobicContact CG2-CE1 4.11Å; T145-F149 HydrophobicContact CG2-CZ 4.13Å; T145-F149 WeakPolarHBondContact OG1-CE1 3.31Å
146	P	98.4	Very high	97.8	Very high	1 Å²	1	62 Å²	62	1%	0.006	30%	0.301	C	S	.	.			trans	-52.7	150.2	161.1	-22.8	35.7	0	0	0	111.2	W119 Q123 A131 T137 F148 F149	W119-P146 HydrophobicContact CB-CG 4.19Å; W119-P146 HydrophobicContact CG-CG 3.93Å; Q123-P146 VanDerWaalsContact OE1-CA 3.25Å; A131-P146 HydrophobicContact CB-CB 4.23Å; A131-P146 HydrophobicContact CB-CG 3.85Å; T137-P146 HydrophobicContact CG2-CG 4.11Å; T137-P146 WeakPolarHBondContact O-CD 3.3Å; P146-F148 PolarHBondContact O-N 3.24Å; P146-F149 HydrophobicContact CB-CB 4.35Å; P146-F149 VanDerWaalsContact O-CD1 3.32Å; P146-F149 WeakPolarHBondContact O-CD1 3.35Å
147	Q	97.9	Very high	97.9	Very high	109 Å²	109	64.8 Å²	64.8	51%	0.509	32%	0.318	S	S	.	.	S	Bend	trans	-60	-35.8	179.1	-179.5	58.4	67	0	0	112	A128 S129 P174	A128-Q147 HydrophobicContact CB-CB 4.02Å; A128-Q147 HydrophobicContact CB-CG 4.16Å; S129-Q147 WeakPolarHBondContact O-CB 3.24Å; S129-Q147 PolarHBondContact O-N 2.83Å; Q147-P174 HydrophobicContact CG-CG 3.92Å
148	F	98.4	Very high	97.9	Very high	49 Å²	49	64.8 Å²	64.8	22%	0.215	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.5	173	-54.6	-72.4	0	0	0	108.9	S129 A130 A131 P146 W168 P174 V176	S129-F148 PolarHBondContact O-N 3.03Å; A130-F148 CarbonylContact C-O 3.58Å; A130-F148 WeakPolarHBondContact CA-O 3.5Å; A130-F148 HydrophobicContact CB-CB 4.19Å; A131-F148 PolarHBondContact N-O 3.36Å; P146-F148 PolarHBondContact O-N 3.24Å; F148-W168 HydrophobicContact CB-CD2 3.63Å; F148-W168 HydrophobicContact CB-CE3 4.12Å; F148-W168 HydrophobicContact CB-CG 3.87Å; F148-W168 HydrophobicContact CB-CH2 4.4Å; F148-W168 HydrophobicContact CB-CZ2 4.01Å; F148-W168 HydrophobicContact CB-CZ3 4.47Å; F148-W168 AromaticContact CD1-CD1 3.99Å; F148-W168 AromaticContact CD1-NE1 3.93Å; F148-W168 HydrophobicContact CD2-CB 4.34Å; F148-W168 HydrophobicContact CD2-CG 4.26Å; F148-W168 AromaticContact CG-CD1 3.81Å; F148-W168 HydrophobicContact CG-CD2 4.29Å; F148-W168 HydrophobicContact CG-CG 4.02Å; F148-W168 AromaticContact CG-NE1 3.96Å; F148-P174 HydrophobicContact CE2-CG 4.27Å; F148-P174 HydrophobicContact CZ-CG 4.37Å; F148-V176 HydrophobicContact CD2-CG2 3.72Å; F148-V176 HydrophobicContact CE2-CG2 3.75Å
149	F	98.3	Very high	97.9	Very high	68 Å²	68	66.4 Å²	66.4	30%	0.298	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155.9	176.6	67.3	-80.5	0	0	0	113	A131 D138 T145 P146 K151	A131-F149 HydrophobicContact CB-CB 4.13Å; A131-F149 CarbonylContact O-C 3.45Å; A131-F149 WeakPolarHBondContact O-CA 3.45Å; D138-F149 HydrophobicContact CB-CD2 3.81Å; D138-F149 HydrophobicContact CB-CE2 3.8Å; T145-F149 HydrophobicContact CG2-CE1 4.11Å; T145-F149 HydrophobicContact CG2-CZ 4.13Å; T145-F149 WeakPolarHBondContact OG1-CE1 3.31Å; P146-F149 HydrophobicContact CB-CB 4.35Å; P146-F149 VanDerWaalsContact O-CD1 3.32Å; P146-F149 WeakPolarHBondContact O-CD1 3.35Å; F149-K151 HydrophobicContact CE2-CG 4.25Å
150	M	98.5	Very high	98	Very high	30 Å²	30	71.3 Å²	71.3	15%	0.148	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	131.5	167.2	-51	-176.5	72.1	0	0	108.6	A131 A132 M133 V156 R161 K164 W168	A131-M150 PolarHBondContact O-N 3.18Å; A132-M150 HydrophobicContact CB-CG 4.42Å; A132-M150 HydrophobicContact CB-SD 3.86Å; M133-M150 HydrophobicContact CE-CB 4.2Å; M133-M150 HydrophobicContact CE-CE 4.02Å; M133-M150 HydrophobicContact CG-CB 4.06Å; M150-V156 HydrophobicContact CE-CG1 3.82Å; M150-R161 HydrophobicContact SD-CG 4.3Å; M150-K164 HydrophobicContact CE-CG 4.16Å; M150-K164 HydrophobicContact SD-CB 4.05Å; M150-K164 HydrophobicContact SD-CG 3.96Å; M150-W168 HydrophobicContact CG-CH2 3.64Å; M150-W168 HydrophobicContact CG-CZ3 4.26Å
151	K	97.6	Very high	98	Very high	155 Å²	155	65.1 Å²	65.1	67%	0.674	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-63.7	145.9	164.1	-66.7	-173.2	176.6	-173.6	0	109.4	D138 F149 N153	D138-K151 HydrophobicContact CB-CG 4.3Å; D138-K151 WeakPolarHBondContact OD2-CA 3.2Å; F149-K151 HydrophobicContact CE2-CG 4.25Å; K151-N153 PolarHBondContact O-N 2.95Å
152	Y	97.3	Very high	98	Very high	109 Å²	109	65.1 Å²	65.1	43%	0.427	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-57.4	126.1	178.4	-176.6	-104	0	0	0	111.3	M133 D138 F154 Y182	M133-Y152 HydrophobicContact CB-CD2 4.11Å; M133-Y152 HydrophobicContact SD-CD2 4.33Å; D138-Y152 PolarHBondContact OD2-N 3.22Å; Y152-F154 HydrophobicContact CE1-CB 4.44Å; Y152-Y182 HydrophobicContact CE2-CE1 4.02Å
153	N	97.1	Very high	98	Very high	71 Å²	71	64.8 Å²	64.8	38%	0.38	32%	0.319	S	S	.	.			trans	-153.5	102.1	173.8	178.3	0.2	0	0	0	109.2	M133 K151 S155 V156	M133-N153 HydrophobicContact CE-CB 4.01Å; M133-N153 WeakPolarHBondContact CE-O 3.31Å; M133-N153 PolarHBondContact SD-N 2.78Å; M133-N153 VanDerWaalsContact SD-N 3.43Å; K151-N153 PolarHBondContact O-N 2.95Å; N153-S155 PolarHBondContact O-N 3.05Å; N153-S155 WeakPolarHBondContact OD1-CB 3.09Å; N153-S155 PolarHBondContact OD1-N 3.37Å; N153-V156 HydrophobicContact CB-CG2 3.96Å; N153-V156 PolarHBondContact O-N 3.09Å
154	F	95	Very high	98.1	Very high	151 Å²	151	63.3 Å²	63.3	66%	0.662	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.1	-178.4	75.9	-88.4	0	0	0	114.5	Y152	Y152-F154 HydrophobicContact CE1-CB 4.44Å
155	S	97.6	Very high	98.1	Very high	77 Å²	77	61.3 Å²	61.3	54%	0.538	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.7	180	-56.5	0	0	0	0	113.5	N153	N153-S155 PolarHBondContact O-N 3.05Å; N153-S155 WeakPolarHBondContact OD1-CB 3.09Å; N153-S155 PolarHBondContact OD1-N 3.37Å
156	V	98.5	Very high	98.1	Very high	22 Å²	22	59.8 Å²	59.8	13%	0.133	29%	0.285	C	S	.	.	S	Bend	trans	-77.3	127.7	179.4	-180	0	0	0	0	109.6	M133 M150 N153 E160 R161	M133-V156 HydrophobicContact CE-CB 3.62Å; M133-V156 HydrophobicContact CE-CG1 4.1Å; M133-V156 HydrophobicContact CE-CG2 3.61Å; M150-V156 HydrophobicContact CE-CG1 3.82Å; N153-V156 HydrophobicContact CB-CG2 3.96Å; N153-V156 PolarHBondContact O-N 3.09Å; V156-E160 HydrophobicContact CG1-CB 3.68Å; V156-R161 HydrophobicContact CG1-CG 3.97Å; V156-R161 PolarHBondContact O-NE 2.93Å; V156-R161 VanDerWaalsContact O-NE 3.14Å; V156-R161 PolarHBondContact O-NH2 3.37Å; V156-R161 VanDerWaalsContact O-NH2 3.11Å
157	T	98.6	Very high	98	Very high	59 Å²	59	63.7 Å²	63.7	36%	0.362	31%	0.308	S	S	.	.			trans	-70.5	161.6	-175.7	82.2	0	0	0	0	112.2	E159 E160 R161	T157-E159 VanDerWaalsContact C-N 3.27Å; T157-E159 WeakPolarHBondContact CB-OE2 3.46Å; T157-E159 PolarHBondContact O-N 2.79Å; T157-E159 PolarHBondContact OG1-N 3.34Å; T157-E159 PolarHBondContact OG1-OE2 3.18Å; T157-E160 PolarHBondContact N-OE2 2.84Å; T157-E160 VanDerWaalsContact N-OE2 3.08Å; T157-E160 PolarHBondContact O-N 3.14Å; T157-E160 PolarHBondContact OG1-N 3.41Å; T157-R161 WeakPolarHBondContact O-CG 3.27Å; T157-R161 PolarHBondContact O-N 3.37Å; T157-R161 VanDerWaalsContact O-N 3.16Å
158	F	98.7	Very high	98	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-41.2	177.9	-177.6	-96.1	0	0	0	111.1	F32 E160 R161 V162 L181 W183 H211 L215	F32-F158 AromaticContact CE1-CE2 3.87Å; F32-F158 HydrophobicContact CE1-CE2 3.87Å; F32-F158 HydrophobicContact CE1-CZ 4.22Å; F32-F158 AromaticContact CZ-CE2 3.91Å; F32-F158 HydrophobicContact CZ-CE2 3.91Å; F32-F158 AromaticContact CZ-CZ 3.89Å; F32-F158 HydrophobicContact CZ-CZ 3.89Å; F158-E160 PolarHBondContact O-N 3.36Å; F158-R161 WeakPolarHBondContact O-CB 3.25Å; F158-R161 PolarHBondContact O-N 3.25Å; F158-V162 HydrophobicContact CD1-CG2 3.78Å; F158-V162 HydrophobicContact CE1-CG2 3.28Å; F158-V162 HydrophobicContact CE2-CG2 4.36Å; F158-V162 HydrophobicContact CG-CG2 4.49Å; F158-V162 HydrophobicContact CZ-CG2 3.64Å; F158-V162 WeakPolarHBondContact O-CG2 3.42Å; F158-V162 PolarHBondContact O-N 2.75Å; F158-L181 HydrophobicContact CE2-CD2 3.93Å; F158-L181 HydrophobicContact CE2-CG 4.37Å; F158-L181 HydrophobicContact CZ-CD2 3.93Å; F158-W183 VanDerWaalsContact CA-CZ3 3.46Å; F158-W183 HydrophobicContact CB-CD2 3.86Å; F158-W183 HydrophobicContact CB-CE3 3.65Å; F158-W183 HydrophobicContact CB-CH2 3.81Å; F158-W183 HydrophobicContact CB-CZ2 4.01Å; F158-W183 HydrophobicContact CB-CZ3 3.62Å; F158-W183 HydrophobicContact CD2-CB 3.81Å; F158-W183 AromaticContact CD2-CD2 3.57Å; F158-W183 HydrophobicContact CD2-CD2 3.57Å; F158-W183 AromaticContact CD2-CE3 3.68Å; F158-W183 HydrophobicContact CD2-CE3 3.68Å; F158-W183 AromaticContact CD2-CG 3.63Å; F158-W183 HydrophobicContact CD2-CG 3.63Å; F158-W183 HydrophobicContact CE2-CB 4.02Å; F158-W183 HydrophobicContact CE2-CG 4.23Å; F158-W183 HydrophobicContact CG-CD2 4.16Å; F158-W183 HydrophobicContact CG-CE3 4.17Å; F158-W183 VanDerWaalsContact N-CH2 3.34Å; F158-H211 HydrophobicContact CD1-CB 3.48Å; F158-H211 VanDerWaalsContact CD1-CB 3.48Å; F158-H211 AromaticContact CD1-CD2 3.96Å; F158-H211 AromaticContact CD1-CG 3.48Å; F158-H211 VanDerWaalsContact CD1-CG 3.48Å; F158-H211 AromaticContact CD1-ND1 3.85Å; F158-H211 HydrophobicContact CD2-CB 4.41Å; F158-H211 AromaticContact CD2-ND1 3.94Å; F158-H211 HydrophobicContact CE1-CB 3.47Å; F158-H211 VanDerWaalsContact CE1-CB 3.47Å; F158-H211 VanDerWaalsContact CE1-O 3.26Å; F158-H211 WeakPolarHBondContact CE1-O 3.16Å; F158-H211 HydrophobicContact CE2-CB 4.39Å; F158-H211 HydrophobicContact CG-CB 3.98Å; F158-H211 AromaticContact CG-CG 3.65Å; F158-H211 AromaticContact CG-ND1 3.49Å; F158-H211 WeakPolarHBondContact CG-ND1 3.13Å; F158-H211 HydrophobicContact CZ-CB 3.94Å; F158-L215 HydrophobicContact CE1-CB 4.45Å
159	E	98.7	Very high	97.9	Very high	71 Å²	71	58 Å²	58	33%	0.332	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-45.8	179	-61.8	79.5	-176.7	0	0	111.1	T157 R161 V162 E163 H211 F214	T157-E159 VanDerWaalsContact C-N 3.27Å; T157-E159 WeakPolarHBondContact CB-OE2 3.46Å; T157-E159 PolarHBondContact O-N 2.79Å; T157-E159 PolarHBondContact OG1-N 3.34Å; T157-E159 PolarHBondContact OG1-OE2 3.18Å; E159-R161 VanDerWaalsContact C-N 3.3Å; E159-R161 PolarHBondContact O-N 3Å; E159-V162 PolarHBondContact O-N 2.78Å; E159-E163 VanDerWaalsContact O-CG 3.26Å; E159-E163 WeakPolarHBondContact O-CG 3.38Å; E159-E163 PolarHBondContact O-N 2.69Å; E159-H211 IonicContact OE1-CD2 3.62Å; E159-H211 IonicContact OE1-NE2 3.85Å; E159-F214 HydrophobicContact CB-CD1 4.39Å; E159-F214 HydrophobicContact CB-CE1 3.73Å; E159-F214 HydrophobicContact CB-CE2 4.49Å; E159-F214 HydrophobicContact CB-CZ 3.77Å; E159-F214 HydrophobicContact CG-CD1 4.02Å; E159-F214 HydrophobicContact CG-CD2 4.31Å; E159-F214 HydrophobicContact CG-CE1 3.79Å; E159-F214 HydrophobicContact CG-CE2 4.08Å; E159-F214 HydrophobicContact CG-CG 4.27Å; E159-F214 HydrophobicContact CG-CZ 3.8Å
160	E	98.8	Very high	97.7	Very high	105 Å²	105	58.9 Å²	58.9	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-39.5	176.4	-70.7	-179.3	108.1	0	0	112.2	V156 T157 F158 K164	V156-E160 HydrophobicContact CG1-CB 3.68Å; T157-E160 PolarHBondContact N-OE2 2.84Å; T157-E160 VanDerWaalsContact N-OE2 3.08Å; T157-E160 PolarHBondContact O-N 3.14Å; T157-E160 PolarHBondContact OG1-N 3.41Å; F158-E160 PolarHBondContact O-N 3.36Å; E160-K164 WeakPolarHBondContact O-CG 3.45Å; E160-K164 PolarHBondContact O-N 3.41Å
161	R	98.8	Very high	97.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-45.3	175.5	-63.6	174.5	-159.4	-159	3.3	111.4	A132 M150 V156 T157 F158 E159 K164 I165 L181 Y182 E184	A132-R161 HydrophobicContact CB-CB 4.04Å; A132-R161 HydrophobicContact CB-CG 4.47Å; M150-R161 HydrophobicContact SD-CG 4.3Å; V156-R161 HydrophobicContact CG1-CG 3.97Å; V156-R161 PolarHBondContact O-NE 2.93Å; V156-R161 VanDerWaalsContact O-NE 3.14Å; V156-R161 PolarHBondContact O-NH2 3.37Å; V156-R161 VanDerWaalsContact O-NH2 3.11Å; T157-R161 WeakPolarHBondContact O-CG 3.27Å; T157-R161 PolarHBondContact O-N 3.37Å; T157-R161 VanDerWaalsContact O-N 3.16Å; F158-R161 WeakPolarHBondContact O-CB 3.25Å; F158-R161 PolarHBondContact O-N 3.25Å; E159-R161 VanDerWaalsContact C-N 3.3Å; E159-R161 PolarHBondContact O-N 3Å; R161-K164 PolarHBondContact O-N 2.8Å; R161-I165 WeakPolarHBondContact O-CG1 2.96Å; R161-I165 PolarHBondContact O-N 3Å; R161-L181 HydrophobicContact CB-CD1 3.55Å; R161-Y182 PolarHBondContact NH1-O 3.27Å; R161-E184 IonicContact CZ-OE1 3.01Å; R161-E184 VanDerWaalsContact CZ-OE1 3.3Å; R161-E184 IonicContact CZ-OE2 2.8Å; R161-E184 VanDerWaalsContact NH1-CD 3.33Å; R161-E184 IonicContact NH1-OE1 3.3Å; R161-E184 PolarHBondContact NH1-OE1 3.26Å; R161-E184 IonicContact NH1-OE2 3.85Å; R161-E184 PolarHBondContact NH1-OE2 3.33Å; R161-E184 VanDerWaalsContact NH1-OE2 3.07Å; R161-E184 VanDerWaalsContact NH2-CD 3.33Å; R161-E184 IonicContact NH2-OE1 2.85Å; R161-E184 PolarHBondContact NH2-OE1 3.06Å; R161-E184 IonicContact NH2-OE2 3.8Å; R161-E184 PolarHBondContact NH2-OE2 3.04Å
162	V	98.8	Very high	96.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-46.1	176.6	167.3	0	0	0	0	111.1	F158 E159 K164 I165 V166 L181 F214 L215 K218	F158-V162 HydrophobicContact CD1-CG2 3.78Å; F158-V162 HydrophobicContact CE1-CG2 3.28Å; F158-V162 HydrophobicContact CE2-CG2 4.36Å; F158-V162 HydrophobicContact CG-CG2 4.49Å; F158-V162 HydrophobicContact CZ-CG2 3.64Å; F158-V162 WeakPolarHBondContact O-CG2 3.42Å; F158-V162 PolarHBondContact O-N 2.75Å; E159-V162 PolarHBondContact O-N 2.78Å; V162-K164 VanDerWaalsContact C-N 3.28Å; V162-K164 PolarHBondContact O-N 3.16Å; V162-I165 PolarHBondContact O-N 2.98Å; V162-I165 VanDerWaalsContact O-N 3.1Å; V162-V166 HydrophobicContact CG1-CG1 4.15Å; V162-V166 WeakPolarHBondContact O-CG2 3.23Å; V162-V166 PolarHBondContact O-N 3.04Å; V162-L181 HydrophobicContact CG2-CD2 3.74Å; V162-F214 HydrophobicContact CB-CD1 4.13Å; V162-F214 HydrophobicContact CB-CE1 3.82Å; V162-F214 HydrophobicContact CG1-CD1 3.92Å; V162-F214 HydrophobicContact CG1-CE1 3.66Å; V162-F214 HydrophobicContact CG2-CD1 4.31Å; V162-F214 HydrophobicContact CG2-CE1 4.48Å; V162-L215 HydrophobicContact CG1-CD1 3.95Å; V162-L215 HydrophobicContact CG2-CB 4.32Å; V162-L215 HydrophobicContact CG2-CD1 4.17Å; V162-K218 HydrophobicContact CG1-CB 4.21Å; V162-K218 HydrophobicContact CG1-CG 4.18Å
163	E	98.4	Very high	95.9	Very high	71 Å²	71	58.9 Å²	58.9	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-57.3	-41.5	178.8	-71.4	-66.2	173.8	0	0	111.6	E159 T167 K218	E159-E163 VanDerWaalsContact O-CG 3.26Å; E159-E163 WeakPolarHBondContact O-CG 3.38Å; E159-E163 PolarHBondContact O-N 2.69Å; E163-T167 VanDerWaalsContact O-CB 3.24Å; E163-T167 WeakPolarHBondContact O-CB 3.36Å; E163-T167 PolarHBondContact O-N 3.33Å; E163-T167 PolarHBondContact O-OG1 2.79Å; E163-K218 WeakPolarHBondContact OE1-CE 3.45Å; E163-K218 IonicContact OE1-NZ 3.29Å; E163-K218 PolarHBondContact OE1-NZ 3.48Å; E163-K218 IonicContact OE2-NZ 3.19Å
164	K	98.1	Very high	95.6	Very high	106 Å²	106	57.6 Å²	57.6	46%	0.461	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-48.4	173.6	-70.4	-64.8	-177.6	-173.3	0	112.1	M150 E160 R161 V162 T167 W168	M150-K164 HydrophobicContact CE-CG 4.16Å; M150-K164 HydrophobicContact SD-CB 4.05Å; M150-K164 HydrophobicContact SD-CG 3.96Å; E160-K164 WeakPolarHBondContact O-CG 3.45Å; E160-K164 PolarHBondContact O-N 3.41Å; R161-K164 PolarHBondContact O-N 2.8Å; V162-K164 VanDerWaalsContact C-N 3.28Å; V162-K164 PolarHBondContact O-N 3.16Å; K164-T167 WeakPolarHBondContact O-CB 3.16Å; K164-T167 PolarHBondContact O-N 2.95Å; K164-W168 HydrophobicContact CB-CD2 4.49Å; K164-W168 HydrophobicContact CB-CE3 4.25Å; K164-W168 HydrophobicContact CB-CH2 3.94Å; K164-W168 HydrophobicContact CB-CZ2 4.13Å; K164-W168 HydrophobicContact CB-CZ3 3.97Å; K164-W168 HydrophobicContact CD-CZ2 4.23Å; K164-W168 VanDerWaalsContact O-CG 3.25Å; K164-W168 PolarHBondContact O-N 2.76Å
165	I	98.4	Very high	95.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-49.7	-178.8	-72.8	-72.6	0	0	0	111.7	L28 A132 R161 V162 T167 W168 L169 A179 T180 L181	L28-I165 HydrophobicContact CD1-CG2 3.71Å; L28-I165 HydrophobicContact CD2-CG2 4.08Å; A132-I165 HydrophobicContact CB-CD1 3.88Å; A132-I165 HydrophobicContact CB-CG1 3.69Å; R161-I165 WeakPolarHBondContact O-CG1 2.96Å; R161-I165 PolarHBondContact O-N 3Å; V162-I165 PolarHBondContact O-N 2.98Å; V162-I165 VanDerWaalsContact O-N 3.1Å; I165-T167 VanDerWaalsContact C-N 3.31Å; I165-T167 PolarHBondContact O-N 3.12Å; I165-W168 HydrophobicContact CD1-CE3 4.09Å; I165-W168 HydrophobicContact CD1-CZ3 4.21Å; I165-W168 PolarHBondContact O-N 2.89Å; I165-L169 HydrophobicContact CG2-CD1 3.75Å; I165-L169 HydrophobicContact CG2-CG 4.44Å; I165-L169 WeakPolarHBondContact O-CB 3.4Å; I165-L169 WeakPolarHBondContact O-CG 3.35Å; I165-L169 PolarHBondContact O-N 2.95Å; I165-A179 HydrophobicContact CD1-CB 4.23Å; I165-A179 HydrophobicContact CG2-CB 4.45Å; I165-T180 WeakPolarHBondContact CD1-O 3.39Å; I165-L181 HydrophobicContact CG1-CB 4.42Å; I165-L181 HydrophobicContact CG1-CD1 4.4Å
166	V	97.9	Very high	95.4	Very high	1 Å²	1	50 Å²	50	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-69	-32.5	-179	-57.1	0	0	0	0	111.8	V162 L169 N170 K218 L219 L222 L224	V162-V166 HydrophobicContact CG1-CG1 4.15Å; V162-V166 WeakPolarHBondContact O-CG2 3.23Å; V162-V166 PolarHBondContact O-N 3.04Å; V166-L169 PolarHBondContact O-N 2.78Å; V166-N170 WeakPolarHBondContact O-CB 3.43Å; V166-N170 PolarHBondContact O-N 3.11Å; V166-K218 HydrophobicContact CG1-CB 4.27Å; V166-L219 HydrophobicContact CG1-CD2 4.01Å; V166-L222 HydrophobicContact CB-CD1 3.62Å; V166-L222 HydrophobicContact CG2-CD1 3.56Å; V166-L224 HydrophobicContact CB-CD1 4.46Å
167	T	97.3	Very high	95.3	Very high	83 Å²	83	49 Å²	49	51%	0.509	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-46.2	171.6	-63.4	0	0	0	0	111.2	E163 K164 I165 N170 S171	E163-T167 VanDerWaalsContact O-CB 3.24Å; E163-T167 WeakPolarHBondContact O-CB 3.36Å; E163-T167 PolarHBondContact O-N 3.33Å; E163-T167 PolarHBondContact O-OG1 2.79Å; K164-T167 WeakPolarHBondContact O-CB 3.16Å; K164-T167 PolarHBondContact O-N 2.95Å; I165-T167 VanDerWaalsContact C-N 3.31Å; I165-T167 PolarHBondContact O-N 3.12Å; T167-N170 PolarHBondContact O-N 3.45Å; T167-S171 PolarHBondContact O-N 3.36Å
168	W	97.7	Very high	95.3	Very high	38 Å²	38	46.2 Å²	46.2	14%	0.144	25%	0.252	C	S	.	.	H	α-helix	trans	-69.2	-39.8	179.1	-62.5	-37.5	0	0	0	112.7	A130 A131 F148 M150 K164 I165 N170 S171 V176	A130-W168 HydrophobicContact CB-CB 3.99Å; A130-W168 HydrophobicContact CB-CD2 4.28Å; A130-W168 HydrophobicContact CB-CE3 3.76Å; A130-W168 HydrophobicContact CB-CG 4.43Å; A131-W168 WeakPolarHBondContact O-CZ3 3.4Å; F148-W168 HydrophobicContact CB-CD2 3.63Å; F148-W168 HydrophobicContact CB-CE3 4.12Å; F148-W168 HydrophobicContact CB-CG 3.87Å; F148-W168 HydrophobicContact CB-CH2 4.4Å; F148-W168 HydrophobicContact CB-CZ2 4.01Å; F148-W168 HydrophobicContact CB-CZ3 4.47Å; F148-W168 AromaticContact CD1-CD1 3.99Å; F148-W168 AromaticContact CD1-NE1 3.93Å; F148-W168 HydrophobicContact CD2-CB 4.34Å; F148-W168 HydrophobicContact CD2-CG 4.26Å; F148-W168 AromaticContact CG-CD1 3.81Å; F148-W168 HydrophobicContact CG-CD2 4.29Å; F148-W168 HydrophobicContact CG-CG 4.02Å; F148-W168 AromaticContact CG-NE1 3.96Å; M150-W168 HydrophobicContact CG-CH2 3.64Å; M150-W168 HydrophobicContact CG-CZ3 4.26Å; K164-W168 HydrophobicContact CB-CD2 4.49Å; K164-W168 HydrophobicContact CB-CE3 4.25Å; K164-W168 HydrophobicContact CB-CH2 3.94Å; K164-W168 HydrophobicContact CB-CZ2 4.13Å; K164-W168 HydrophobicContact CB-CZ3 3.97Å; K164-W168 HydrophobicContact CD-CZ2 4.23Å; K164-W168 VanDerWaalsContact O-CG 3.25Å; K164-W168 PolarHBondContact O-N 2.76Å; I165-W168 HydrophobicContact CD1-CE3 4.09Å; I165-W168 HydrophobicContact CD1-CZ3 4.21Å; I165-W168 PolarHBondContact O-N 2.89Å; W168-N170 VanDerWaalsContact C-N 3.27Å; W168-N170 PolarHBondContact O-N 3.48Å; W168-S171 VanDerWaalsContact O-CB 3.31Å; W168-S171 WeakPolarHBondContact O-CB 3.35Å; W168-S171 PolarHBondContact O-N 3.3Å; W168-S171 VanDerWaalsContact O-N 3.14Å; W168-V176 HydrophobicContact CB-CG2 4.3Å; W168-V176 WeakPolarHBondContact O-CG2 3.4Å
169	L	96.4	Very high	95.3	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-28.3	175.5	-74.7	170.9	0	0	0	113.3	L28 I165 V166 S171 V176 A179 L224	L28-L169 HydrophobicContact CB-CD1 4.41Å; L28-L169 HydrophobicContact CD2-CD1 4.37Å; I165-L169 HydrophobicContact CG2-CD1 3.75Å; I165-L169 HydrophobicContact CG2-CG 4.44Å; I165-L169 WeakPolarHBondContact O-CB 3.4Å; I165-L169 WeakPolarHBondContact O-CG 3.35Å; I165-L169 PolarHBondContact O-N 2.95Å; V166-L169 PolarHBondContact O-N 2.78Å; L169-S171 VanDerWaalsContact C-N 3.35Å; L169-V176 HydrophobicContact CD2-CB 4.37Å; L169-V176 HydrophobicContact CD2-CG1 3.92Å; L169-A179 HydrophobicContact CD1-CB 4.32Å; L169-A179 HydrophobicContact CD2-CB 3.96Å; L169-A179 HydrophobicContact CG-CB 4.22Å; L169-L224 HydrophobicContact CB-CD1 4.1Å
170	N	94.2	Very high	95.3	Very high	86 Å²	86	42.9 Å²	42.9	46%	0.46	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.3	175.3	-161.2	37	0	0	0	113	V166 T167 W168 L224	V166-N170 WeakPolarHBondContact O-CB 3.43Å; V166-N170 PolarHBondContact O-N 3.11Å; T167-N170 PolarHBondContact O-N 3.45Å; W168-N170 VanDerWaalsContact C-N 3.27Å; W168-N170 PolarHBondContact O-N 3.48Å; N170-L224 HydrophobicContact CB-CD1 4.44Å
171	S	89.6	Confident	95.3	Very high	44 Å²	44	37.9 Å²	37.9	31%	0.308	21%	0.214	S	C	.	.			trans	-73.7	135.2	177.1	-176	0	0	0	0	111.4	T167 W168 L169 N173	T167-S171 PolarHBondContact O-N 3.36Å; W168-S171 VanDerWaalsContact O-CB 3.31Å; W168-S171 WeakPolarHBondContact O-CB 3.35Å; W168-S171 PolarHBondContact O-N 3.3Å; W168-S171 VanDerWaalsContact O-N 3.14Å; L169-S171 VanDerWaalsContact C-N 3.35Å; S171-N173 PolarHBondContact OG-N 2.77Å
172	S	80	Confident	95.3	Very high	110 Å²	110	38.7 Å²	38.7	77%	0.769	22%	0.217	S	C	*	.	B	Isolated β-bridge	trans	-90.2	-8.2	176.5	-54.7	0	0	0	0	113.9
173	N	85.9	Confident	95.3	Very high	140 Å²	140	40 Å²	40	75%	0.749	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-147.3	111.7	-175.3	-169.9	17.6	0	0	0	114.3	S171	S171-N173 PolarHBondContact OG-N 2.77Å
174	P	89.3	Confident	95.4	Very high	43 Å²	43	37.8 Å²	37.8	28%	0.279	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	cis	-65.8	148.8	-20.9	29.4	-35.2	0	0	0	110.6	A128 Q147 F148 V176	A128-P174 HydrophobicContact CB-CB 3.89Å; A128-P174 HydrophobicContact CB-CG 3.66Å; Q147-P174 HydrophobicContact CG-CG 3.92Å; F148-P174 HydrophobicContact CE2-CG 4.27Å; F148-P174 HydrophobicContact CZ-CG 4.37Å; P174-V176 PolarHBondContact O-N 2.76Å
175	P	91.6	Very high	95.4	Very high	68 Å²	68	34.3 Å²	34.3	44%	0.442	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-65	126.6	174.6	27.2	-33.4	0	0	0	110.5	L24	L24-P175 HydrophobicContact CD2-CB 4.17Å; L24-P175 HydrophobicContact CD2-CG 4.26Å
176	V	97	Very high	95.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.4	177.2	177.3	0	0	0	0	109.6	A128 A130 F148 W168 L169 P174 F178	A128-V176 HydrophobicContact CB-CG2 4.2Å; A130-V176 HydrophobicContact CB-CG1 3.73Å; A130-V176 HydrophobicContact CB-CG2 4.35Å; F148-V176 HydrophobicContact CD2-CG2 3.72Å; F148-V176 HydrophobicContact CE2-CG2 3.75Å; W168-V176 HydrophobicContact CB-CG2 4.3Å; W168-V176 WeakPolarHBondContact O-CG2 3.4Å; L169-V176 HydrophobicContact CD2-CB 4.37Å; L169-V176 HydrophobicContact CD2-CG1 3.92Å; P174-V176 PolarHBondContact O-N 2.76Å; V176-F178 WeakPolarHBondContact CG1-O 3.27Å
177	S	97.3	Very high	95.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-26.1	177.3	47	0	0	0	0	113.3	R26 L27 N122 R127 A128 L376	R26-S177 CarbonylContact C-O 3.44Å; R26-S177 VanDerWaalsContact CA-O 3.28Å; R26-S177 WeakPolarHBondContact CA-O 3.42Å; L27-S177 PolarHBondContact N-O 3.25Å; N122-S177 PolarHBondContact ND2-OG 2.78Å; N122-S177 PolarHBondContact OD1-OG 3.39Å; R127-S177 WeakPolarHBondContact CB-OG 3.27Å; A128-S177 PolarHBondContact O-N 3.29Å; A128-S177 PolarHBondContact O-OG 2.76Å; S177-L376 VanDerWaalsContact O-CD2 3.3Å; S177-L376 WeakPolarHBondContact O-CD2 3.44Å
178	F	98.7	Very high	95.5	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.9	179.8	179.2	-109.9	0	0	0	110.3	L27 L29 I118 W119 S129 A130 V176 T180 M372 L376	L27-F178 HydrophobicContact CB-CD2 4.28Å; L27-F178 HydrophobicContact CD2-CD2 4.08Å; L27-F178 HydrophobicContact CD2-CE2 4.08Å; L27-F178 HydrophobicContact CG-CD2 4.3Å; L27-F178 HydrophobicContact CG-CE2 4.45Å; L27-F178 CarbonylContact O-C 3.2Å; L27-F178 WeakPolarHBondContact O-CA 3.47Å; L29-F178 HydrophobicContact CB-CE2 4.31Å; L29-F178 HydrophobicContact CB-CZ 4.46Å; I118-F178 HydrophobicContact CG2-CD1 4.11Å; I118-F178 HydrophobicContact CG2-CE1 3.35Å; I118-F178 HydrophobicContact CG2-CE2 4Å; I118-F178 HydrophobicContact CG2-CZ 3.27Å; W119-F178 HydrophobicContact CB-CD1 4.11Å; W119-F178 HydrophobicContact CB-CE1 4.19Å; W119-F178 HydrophobicContact CE3-CE1 4.49Å; S129-F178 CarbonylContact C-O 3.56Å; S129-F178 WeakPolarHBondContact CA-O 3.35Å; A130-F178 PolarHBondContact N-O 2.89Å; V176-F178 WeakPolarHBondContact CG1-O 3.27Å; F178-T180 HydrophobicContact CE1-CG2 3.44Å; F178-T180 VanDerWaalsContact CE1-CG2 3.44Å; F178-T180 HydrophobicContact CE2-CG2 4.39Å; F178-T180 HydrophobicContact CZ-CG2 3.36Å; F178-M372 HydrophobicContact CE2-SD 4.1Å; F178-L376 HydrophobicContact CB-CD1 4.08Å; F178-L376 HydrophobicContact CD2-CD1 3.88Å; F178-L376 HydrophobicContact CG-CD1 4.22Å
179	A	98.8	Very high	95.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.9	176	0	0	0	0	0	111.5	L27 L28 L29 A130 I165 L169	L27-A179 PolarHBondContact O-N 3.33Å; L28-A179 CarbonylContact C-O 3.53Å; L28-A179 WeakPolarHBondContact CA-O 3.36Å; L28-A179 HydrophobicContact CD1-CB 3.75Å; L29-A179 PolarHBondContact N-O 3.34Å; A130-A179 HydrophobicContact CB-CB 4.22Å; A130-A179 CarbonylContact O-C 3.6Å; A130-A179 WeakPolarHBondContact O-CA 3.36Å; I165-A179 HydrophobicContact CD1-CB 4.23Å; I165-A179 HydrophobicContact CG2-CB 4.45Å; L169-A179 HydrophobicContact CD1-CB 4.32Å; L169-A179 HydrophobicContact CD2-CB 3.96Å; L169-A179 HydrophobicContact CG-CB 4.22Å
180	T	98.9	Very high	95.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.1	172.2	58.6	0	0	0	0	111.2	L29 A130 A131 A132 W134 I165 F178	L29-T180 HydrophobicContact CB-CG2 4.35Å; L29-T180 HydrophobicContact CD2-CG2 4.37Å; L29-T180 CarbonylContact O-C 3.45Å; L29-T180 VanDerWaalsContact O-CA 3.25Å; L29-T180 WeakPolarHBondContact O-CA 3.33Å; A130-T180 PolarHBondContact O-N 3.44Å; A131-T180 CarbonylContact C-O 3.42Å; A131-T180 WeakPolarHBondContact CA-O 3.34Å; A131-T180 VanDerWaalsContact CB-OG1 3.31Å; A131-T180 WeakPolarHBondContact CB-OG1 3.25Å; A132-T180 PolarHBondContact N-O 3.35Å; W134-T180 WeakPolarHBondContact CB-OG1 3.23Å; W134-T180 HydrophobicContact CD2-CG2 4.2Å; W134-T180 HydrophobicContact CE3-CG2 4.21Å; W134-T180 HydrophobicContact CG-CG2 4.35Å; I165-T180 WeakPolarHBondContact CD1-O 3.39Å; F178-T180 HydrophobicContact CE1-CG2 3.44Å; F178-T180 VanDerWaalsContact CE1-CG2 3.44Å; F178-T180 HydrophobicContact CE2-CG2 4.39Å; F178-T180 HydrophobicContact CZ-CG2 3.36Å
181	L	98.9	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.1	175.7	173.2	62.3	0	0	0	109.3	L28 L29 V30 S31 A132 F158 R161 V162 I165	L28-L181 HydrophobicContact CD1-CB 4.26Å; L29-L181 PolarHBondContact O-N 3.24Å; V30-L181 CarbonylContact C-O 3.42Å; V30-L181 VanDerWaalsContact CA-O 3.31Å; V30-L181 WeakPolarHBondContact CA-O 3.36Å; V30-L181 HydrophobicContact CG1-CB 4.33Å; V30-L181 HydrophobicContact CG1-CD2 4.06Å; V30-L181 HydrophobicContact CG1-CG 4.2Å; V30-L181 HydrophobicContact CG2-CB 4.35Å; V30-L181 HydrophobicContact CG2-CD2 4.43Å; S31-L181 PolarHBondContact N-O 3.47Å; A132-L181 HydrophobicContact CB-CD1 3.65Å; F158-L181 HydrophobicContact CE2-CD2 3.93Å; F158-L181 HydrophobicContact CE2-CG 4.37Å; F158-L181 HydrophobicContact CZ-CD2 3.93Å; R161-L181 HydrophobicContact CB-CD1 3.55Å; V162-L181 HydrophobicContact CG2-CD2 3.74Å; I165-L181 HydrophobicContact CG1-CB 4.42Å; I165-L181 HydrophobicContact CG1-CD1 4.4Å
182	Y	98.9	Very high	96.3	Very high	18 Å²	18	33.1 Å²	33.1	7%	0.071	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.5	178.1	165.2	-94.7	0	0	0	111.2	D33 H73 A132 M133 Y152 R161 E184	D33-Y182 HydrophobicContact CB-CE2 3.8Å; D33-Y182 WeakPolarHBondContact OD2-CE2 3.25Å; D33-Y182 PolarHBondContact OD2-OH 3.47Å; D33-Y182 VanDerWaalsContact OD2-OH 3.07Å; H73-Y182 AromaticContact CE1-CD2 3.97Å; H73-Y182 AromaticContact CE1-CE2 3.78Å; H73-Y182 AromaticContact NE2-CD2 3.49Å; H73-Y182 WeakPolarHBondContact NE2-CD2 3.19Å; H73-Y182 AromaticContact NE2-CE2 3.79Å; A132-Y182 PolarHBondContact O-N 3.27Å; M133-Y182 HydrophobicContact CB-CD1 4.38Å; M133-Y182 WeakPolarHBondContact O-CB 3.38Å; M133-Y182 WeakPolarHBondContact O-CD1 3.31Å; Y152-Y182 HydrophobicContact CE2-CE1 4.02Å; R161-Y182 PolarHBondContact NH1-O 3.27Å; Y182-E184 HydrophobicContact CE1-CG 3.69Å; Y182-E184 WeakPolarHBondContact CE1-OE1 2.97Å
183	W	98.8	Very high	97.1	Very high	28 Å²	28	31 Å²	31	11%	0.106	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.3	173.2	-169.4	-112.8	0	0	0	111.3	S31 F32 D33 F158 E185 H211	S31-W183 PolarHBondContact O-N 2.88Å; F32-W183 HydrophobicContact CD1-CB 3.93Å; F32-W183 AromaticContact CD1-CD1 3.8Å; F32-W183 HydrophobicContact CD1-CG 4.21Å; F32-W183 HydrophobicContact CE1-CB 4.16Å; F32-W183 HydrophobicContact CE1-CG 4.3Å; D33-W183 WeakPolarHBondContact CB-O 3.49Å; D33-W183 PolarHBondContact N-O 3.35Å; F158-W183 VanDerWaalsContact CA-CZ3 3.46Å; F158-W183 HydrophobicContact CB-CD2 3.86Å; F158-W183 HydrophobicContact CB-CE3 3.65Å; F158-W183 HydrophobicContact CB-CH2 3.81Å; F158-W183 HydrophobicContact CB-CZ2 4.01Å; F158-W183 HydrophobicContact CB-CZ3 3.62Å; F158-W183 HydrophobicContact CD2-CB 3.81Å; F158-W183 AromaticContact CD2-CD2 3.57Å; F158-W183 HydrophobicContact CD2-CD2 3.57Å; F158-W183 AromaticContact CD2-CE3 3.68Å; F158-W183 HydrophobicContact CD2-CE3 3.68Å; F158-W183 AromaticContact CD2-CG 3.63Å; F158-W183 HydrophobicContact CD2-CG 3.63Å; F158-W183 HydrophobicContact CE2-CB 4.02Å; F158-W183 HydrophobicContact CE2-CG 4.23Å; F158-W183 HydrophobicContact CG-CD2 4.16Å; F158-W183 HydrophobicContact CG-CE3 4.17Å; F158-W183 VanDerWaalsContact N-CH2 3.34Å; W183-E185 VanDerWaalsContact C-N 3.33Å; W183-E185 PolarHBondContact O-N 3.12Å; W183-H211 AromaticContact CD1-ND1 3.95Å; W183-H211 AromaticContact CE2-CE1 3.56Å; W183-H211 AromaticContact CE2-ND1 3.71Å; W183-H211 AromaticContact CZ2-CE1 3.55Å; W183-H211 AromaticContact NE1-CE1 3.57Å; W183-H211 AromaticContact NE1-ND1 3.44Å; W183-H211 PolarHBondContact NE1-ND1 2.9Å
184	E	98.8	Very high	97.7	Very high	24 Å²	24	24.5 Å²	24.5	11%	0.112	13%	0.129	C	C	.	.			trans	-77	-13.4	-171	-61.6	74.5	-173	0	0	114.3	R161 Y182 D187 A188	R161-E184 IonicContact CZ-OE1 3.01Å; R161-E184 VanDerWaalsContact CZ-OE1 3.3Å; R161-E184 IonicContact CZ-OE2 2.8Å; R161-E184 VanDerWaalsContact NH1-CD 3.33Å; R161-E184 IonicContact NH1-OE1 3.3Å; R161-E184 PolarHBondContact NH1-OE1 3.26Å; R161-E184 IonicContact NH1-OE2 3.85Å; R161-E184 PolarHBondContact NH1-OE2 3.33Å; R161-E184 VanDerWaalsContact NH1-OE2 3.07Å; R161-E184 VanDerWaalsContact NH2-CD 3.33Å; R161-E184 IonicContact NH2-OE1 2.85Å; R161-E184 PolarHBondContact NH2-OE1 3.06Å; R161-E184 IonicContact NH2-OE2 3.8Å; R161-E184 PolarHBondContact NH2-OE2 3.04Å; Y182-E184 HydrophobicContact CE1-CG 3.69Å; Y182-E184 WeakPolarHBondContact CE1-OE1 2.97Å; E184-D187 PolarHBondContact O-N 2.68Å; E184-A188 PolarHBondContact O-N 2.94Å; E184-A188 VanDerWaalsContact O-N 3.12Å
185	E	98.8	Very high	98.1	Very high	33 Å²	33	22.6 Å²	22.6	15%	0.154	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	146	178	-67.3	-75	-164.9	0	0	110.7	D33 W183 S189 V204 V208	D33-E185 CarbonylContact O-C 3.52Å; W183-E185 VanDerWaalsContact C-N 3.33Å; W183-E185 PolarHBondContact O-N 3.12Å; E185-S189 PolarHBondContact OE1-OG 3.27Å; E185-S189 WeakPolarHBondContact OE2-CB 3.4Å; E185-S189 PolarHBondContact OE2-N 3.3Å; E185-S189 PolarHBondContact OE2-OG 3.25Å; E185-V204 HydrophobicContact CB-CG1 4.31Å; E185-V204 HydrophobicContact CG-CG1 4.5Å; E185-V208 HydrophobicContact CB-CG2 3.95Å
186	P	98.7	Very high	98.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.4	5.7	11.5	35.5	-39.6	0	0	0	117.9	D33 F35 Y39 S189 G190 M201 V204 L205	D33-P186 WeakPolarHBondContact O-CD 3.45Å; D33-P186 VanDerWaalsContact O-N 3.08Å; F35-P186 HydrophobicContact CB-CG 3.99Å; F35-P186 HydrophobicContact CD2-CG 4.46Å; F35-P186 HydrophobicContact CG-CG 4.11Å; Y39-P186 HydrophobicContact CE2-CG 4.31Å; P186-S189 PolarHBondContact O-N 3.01Å; P186-G190 PolarHBondContact O-N 3.4Å; P186-M201 HydrophobicContact CB-CE 3.98Å; P186-V204 HydrophobicContact CB-CG1 3.98Å; P186-L205 HydrophobicContact CB-CD2 3.41Å; P186-L205 VanDerWaalsContact CB-CD2 3.41Å; P186-L205 HydrophobicContact CG-CD2 3.81Å
187	D	98.8	Very high	98.3	Very high	17 Å²	17	27.1 Å²	27.1	9%	0.091	14%	0.137	C	C	.	.	H	α-helix	trans	-56.6	-52.5	-177.8	-179.3	-93	0	0	0	113	D33 E184 S189 G190 H191 H236 M238 H334	D33-D187 HydrophobicContact CB-CB 3.76Å; D33-D187 WeakPolarHBondContact O-CB 3.19Å; D33-D187 PolarHBondContact O-N 3.25Å; D33-D187 WeakPolarHBondContact OD1-CB 3.16Å; E184-D187 PolarHBondContact O-N 2.68Å; D187-S189 VanDerWaalsContact C-N 3.28Å; D187-S189 PolarHBondContact O-N 3.09Å; D187-G190 CarbonylContact O-C 3.53Å; D187-G190 WeakPolarHBondContact O-CA 3.48Å; D187-G190 PolarHBondContact O-N 3.02Å; D187-H191 PolarHBondContact O-N 2.86Å; D187-H191 IonicContact OD1-CD2 3.07Å; D187-H191 PolarHBondContact OD1-CD2 3.34Å; D187-H191 IonicContact OD1-NE2 3.4Å; D187-H191 IonicContact OD2-CD2 3.55Å; D187-H191 IonicContact OD2-NE2 3.05Å; D187-H236 IonicContact OD2-CE1 2.75Å; D187-H236 PolarHBondContact OD2-CE1 3.41Å; D187-M238 WeakPolarHBondContact OD2-CE 3.38Å; D187-H334 IonicContact OD2-CD2 2.78Å; D187-H334 PolarHBondContact OD2-CD2 2.82Å; D187-H334 IonicContact OD2-NE2 2.83Å
188	A	98.5	Very high	98.3	Very high	44 Å²	44	30.7 Å²	30.7	36%	0.364	16%	0.159	S	C	.	.	H	α-helix	trans	-55.7	-44.5	-175.9	0	0	0	0	0	112	E184 K192	E184-A188 PolarHBondContact O-N 2.94Å; E184-A188 VanDerWaalsContact O-N 3.12Å; A188-K192 PolarHBondContact O-N 2.88Å
189	S	98.7	Very high	98.2	Very high	11 Å²	11	37.8 Å²	37.8	8%	0.077	19%	0.19	C	C	.	.	H	α-helix	trans	-74.9	-31.2	174.9	-74.1	0	0	0	0	113.5	E185 P186 D187 H191 K192 Y193 V204	E185-S189 PolarHBondContact OE1-OG 3.27Å; E185-S189 WeakPolarHBondContact OE2-CB 3.4Å; E185-S189 PolarHBondContact OE2-N 3.3Å; E185-S189 PolarHBondContact OE2-OG 3.25Å; P186-S189 PolarHBondContact O-N 3.01Å; D187-S189 VanDerWaalsContact C-N 3.28Å; D187-S189 PolarHBondContact O-N 3.09Å; S189-H191 VanDerWaalsContact C-N 3.35Å; S189-K192 PolarHBondContact O-N 3.28Å; S189-Y193 WeakPolarHBondContact O-CD2 3.45Å; S189-Y193 PolarHBondContact O-N 2.76Å; S189-V204 VanDerWaalsContact CB-CG2 3.48Å; S189-V204 WeakPolarHBondContact OG-CG2 3.42Å
190	G	98.6	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.8	-43.6	171.8	0	0	0	0	0	112.1	P186 D187 G194 G332	P186-G190 PolarHBondContact O-N 3.4Å; D187-G190 CarbonylContact O-C 3.53Å; D187-G190 WeakPolarHBondContact O-CA 3.48Å; D187-G190 PolarHBondContact O-N 3.02Å; G190-G194 WeakPolarHBondContact O-CA 3.39Å; G190-G194 PolarHBondContact O-N 2.98Å; G190-G332 WeakPolarHBondContact O-CA 3.5Å; G190-G332 PolarHBondContact O-N 3.36Å
191	H	98.5	Very high	98.1	Very high	24 Å²	24	39.9 Å²	39.9	11%	0.111	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-42.7	171.2	-82.4	-41.5	0	0	0	112.8	D187 S189 K330 L331 G332 D333 H334	D187-H191 PolarHBondContact O-N 2.86Å; D187-H191 IonicContact OD1-CD2 3.07Å; D187-H191 PolarHBondContact OD1-CD2 3.34Å; D187-H191 IonicContact OD1-NE2 3.4Å; D187-H191 IonicContact OD2-CD2 3.55Å; D187-H191 IonicContact OD2-NE2 3.05Å; S189-H191 VanDerWaalsContact C-N 3.35Å; H191-K330 HydrophobicContact CB-CD 4.14Å; H191-K330 PolarHBondContact CE1-NZ 3.43Å; H191-K330 WeakPolarHBondContact ND1-CD 3.46Å; H191-K330 PolarHBondContact NE2-NZ 2.85Å; H191-L331 PolarHBondContact O-N 3.22Å; H191-G332 PolarHBondContact ND1-O 3.17Å; H191-G332 PolarHBondContact O-N 3.37Å; H191-D333 IonicContact CE1-OD1 3.44Å; H191-D333 PolarHBondContact CE1-OD1 2.61Å; H191-H334 AromaticContact CE1-CD2 3.33Å; H191-H334 PolarHBondContact CE1-CD2 2.46Å; H191-H334 AromaticContact CE1-NE2 3.47Å; H191-H334 PolarHBondContact CE1-NE2 3.02Å; H191-H334 AromaticContact NE2-CD2 3.63Å; H191-H334 AromaticContact NE2-NE2 3.31Å; H191-H334 PolarHBondContact NE2-NE2 3.26Å
192	K	98.4	Very high	98.1	Very high	131 Å²	131	46.7 Å²	46.7	57%	0.57	23%	0.226	S	C	*	.	H	α-helix	trans	-69.8	-44.9	-176.8	-176.7	-179.2	178.8	-172.1	0	113.3	A188 S189 L331	A188-K192 PolarHBondContact O-N 2.88Å; S189-K192 PolarHBondContact O-N 3.28Å; K192-L331 WeakPolarHBondContact O-CD1 3.44Å
193	Y	98.1	Very high	98.1	Very high	65 Å²	65	52 Å²	52	26%	0.255	25%	0.25	S	S	.	.	H	α-helix	trans	-105.7	-21.9	-171.3	-57.6	-55.5	0	0	0	113.8	S189 N197 N200	S189-Y193 WeakPolarHBondContact O-CD2 3.45Å; S189-Y193 PolarHBondContact O-N 2.76Å; Y193-N197 WeakPolarHBondContact O-CB 3.21Å; Y193-N200 HydrophobicContact CD1-CB 4.13Å; Y193-N200 VanDerWaalsContact CD1-ND2 3.28Å; Y193-N200 WeakPolarHBondContact CD1-ND2 3.35Å; Y193-N200 HydrophobicContact CD2-CB 3.65Å; Y193-N200 HydrophobicContact CE1-CB 4.38Å; Y193-N200 WeakPolarHBondContact CE1-ND2 3.28Å; Y193-N200 HydrophobicContact CE2-CB 3.94Å; Y193-N200 HydrophobicContact CG-CB 3.75Å
194	G	97.9	Very high	98.1	Very high	5 Å²	5	51.2 Å²	51.2	5%	0.052	25%	0.248	C	C	.	.			trans	80.6	146.1	-165.3	0	0	0	0	0	111.7	G190 D196 N197 L331	G190-G194 WeakPolarHBondContact O-CA 3.39Å; G190-G194 PolarHBondContact O-N 2.98Å; G194-D196 PolarHBondContact O-N 3.17Å; G194-N197 PolarHBondContact O-N 3Å; G194-N197 VanDerWaalsContact O-N 3.16Å; G194-L331 WeakPolarHBondContact CA-O 3.4Å
195	P	97.3	Very high	98.1	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.019	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.4	-177.1	28.4	-36.2	0	0	0	112.8	Y39 N197 M238 P240	Y39-P195 VanDerWaalsContact OH-CB 3.23Å; Y39-P195 WeakPolarHBondContact OH-CB 3.02Å; P195-N197 VanDerWaalsContact C-N 3.28Å; P195-N197 PolarHBondContact O-N 2.83Å; P195-M238 HydrophobicContact CB-CB 4.4Å; P195-M238 HydrophobicContact CB-CG 4.05Å; P195-M238 HydrophobicContact CG-CG 4.02Å; P195-P240 HydrophobicContact CG-CB 4.18Å
196	D	96	Very high	98.1	Very high	106 Å²	106	53.2 Å²	53.2	57%	0.567	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-8.6	-178.6	-62.2	-12.3	0	0	0	113	G194 T198 P240	G194-D196 PolarHBondContact O-N 3.17Å; D196-T198 PolarHBondContact O-N 3.16Å; D196-P240 WeakPolarHBondContact OD2-CG 3.4Å
197	N	97.3	Very high	98.1	Very high	58 Å²	58	57.7 Å²	57.7	31%	0.31	28%	0.278	S	S	.	.			trans	-78.5	70.2	172.7	-167.5	-32.4	0	0	0	110.4	Y193 G194 P195 K199 N200 M201	Y193-N197 WeakPolarHBondContact O-CB 3.21Å; G194-N197 PolarHBondContact O-N 3Å; G194-N197 VanDerWaalsContact O-N 3.16Å; P195-N197 VanDerWaalsContact C-N 3.28Å; P195-N197 PolarHBondContact O-N 2.83Å; N197-K199 PolarHBondContact O-N 2.84Å; N197-K199 VanDerWaalsContact O-N 3.09Å; N197-N200 PolarHBondContact ND2-ND2 3.31Å; N197-N200 PolarHBondContact O-N 3.19Å; N197-N200 VanDerWaalsContact O-N 3.13Å; N197-N200 PolarHBondContact OD1-N 3.09Å; N197-M201 WeakPolarHBondContact O-CB 3.39Å; N197-M201 WeakPolarHBondContact O-CG 3.36Å; N197-M201 PolarHBondContact O-N 2.83Å
198	T	96.1	Very high	98.1	Very high	74 Å²	74	56.9 Å²	56.9	45%	0.454	27%	0.274	S	S	.	.	H	α-helix	trans	-56.7	-30.8	-173.1	57.1	0	0	0	0	113.2	D196 R202	D196-T198 PolarHBondContact O-N 3.16Å; T198-R202 WeakPolarHBondContact O-CB 3.32Å; T198-R202 PolarHBondContact O-N 3.44Å
199	K	97.2	Very high	98.1	Very high	151 Å²	151	55 Å²	55	66%	0.657	26%	0.258	S	S	*	.	H	α-helix	trans	-65.3	-47.7	177.7	-178.3	179.7	177.5	-179.6	0	112.7	N197	N197-K199 PolarHBondContact O-N 2.84Å; N197-K199 VanDerWaalsContact O-N 3.09Å
200	N	98.1	Very high	98.1	Very high	45 Å²	45	59 Å²	59	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-77.5	-42.1	179.1	-72.9	-24	0	0	0	110.8	Y193 N197 R202 K203 V204	Y193-N200 HydrophobicContact CD1-CB 4.13Å; Y193-N200 VanDerWaalsContact CD1-ND2 3.28Å; Y193-N200 WeakPolarHBondContact CD1-ND2 3.35Å; Y193-N200 HydrophobicContact CD2-CB 3.65Å; Y193-N200 HydrophobicContact CE1-CB 4.38Å; Y193-N200 WeakPolarHBondContact CE1-ND2 3.28Å; Y193-N200 HydrophobicContact CE2-CB 3.94Å; Y193-N200 HydrophobicContact CG-CB 3.75Å; N197-N200 PolarHBondContact ND2-ND2 3.31Å; N197-N200 PolarHBondContact O-N 3.19Å; N197-N200 VanDerWaalsContact O-N 3.13Å; N197-N200 PolarHBondContact OD1-N 3.09Å; N200-R202 VanDerWaalsContact C-N 3.27Å; N200-R202 PolarHBondContact O-N 3.15Å; N200-K203 PolarHBondContact O-N 3.29Å; N200-K203 VanDerWaalsContact O-N 3.16Å; N200-V204 WeakPolarHBondContact O-CG2 3.42Å; N200-V204 PolarHBondContact O-N 3.32Å
201	M	98.5	Very high	98.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-32.5	178.4	-68.8	-51.4	-59.4	0	0	112.7	Y39 Y43 P186 N197 K203 V204 L205	Y39-M201 HydrophobicContact CE2-CE 4.47Å; Y43-M201 HydrophobicContact CE1-CB 4.37Å; Y43-M201 VanDerWaalsContact OH-CB 3.25Å; Y43-M201 WeakPolarHBondContact OH-CB 3.48Å; P186-M201 HydrophobicContact CB-CE 3.98Å; N197-M201 WeakPolarHBondContact O-CB 3.39Å; N197-M201 WeakPolarHBondContact O-CG 3.36Å; N197-M201 PolarHBondContact O-N 2.83Å; M201-K203 VanDerWaalsContact C-N 3.34Å; M201-K203 PolarHBondContact O-N 3.24Å; M201-V204 PolarHBondContact O-N 2.81Å; M201-L205 HydrophobicContact CE-CD2 4.37Å; M201-L205 WeakPolarHBondContact O-CG 3.36Å; M201-L205 PolarHBondContact O-N 3.37Å
202	R	98.6	Very high	98.2	Very high	142 Å²	142	58.2 Å²	58.2	54%	0.536	28%	0.275	S	S	.	.	H	α-helix	trans	-56.3	-47.6	173.3	179.5	179.1	-60.1	173.1	-0.7	111.9	Y43 T198 N200 V204 L205 E206	Y43-R202 HydrophobicContact CD1-CB 4.04Å; Y43-R202 HydrophobicContact CD1-CG 4.36Å; Y43-R202 HydrophobicContact CE1-CB 3.92Å; T198-R202 WeakPolarHBondContact O-CB 3.32Å; T198-R202 PolarHBondContact O-N 3.44Å; N200-R202 VanDerWaalsContact C-N 3.27Å; N200-R202 PolarHBondContact O-N 3.15Å; R202-V204 VanDerWaalsContact C-N 3.3Å; R202-V204 PolarHBondContact O-N 3.07Å; R202-L205 PolarHBondContact O-N 3.02Å; R202-E206 HydrophobicContact CG-CG 4.38Å; R202-E206 VanDerWaalsContact CG-OE1 3.26Å; R202-E206 WeakPolarHBondContact CG-OE1 3.24Å; R202-E206 WeakPolarHBondContact O-CB 3.45Å; R202-E206 VanDerWaalsContact O-CG 3.27Å; R202-E206 WeakPolarHBondContact O-CG 3.41Å; R202-E206 PolarHBondContact O-N 2.98Å
203	K	98.5	Very high	98.2	Very high	131 Å²	131	52.5 Å²	52.5	57%	0.57	25%	0.253	S	S	*	.	H	α-helix	trans	-63.9	-38	179.8	-62.4	-179.3	177.5	-174	0	112.3	N200 M201 Q207	N200-K203 PolarHBondContact O-N 3.29Å; N200-K203 VanDerWaalsContact O-N 3.16Å; M201-K203 VanDerWaalsContact C-N 3.34Å; M201-K203 PolarHBondContact O-N 3.24Å; K203-Q207 PolarHBondContact O-N 2.9Å; K203-Q207 VanDerWaalsContact O-N 3.09Å
204	V	98.7	Very high	98.2	Very high	11 Å²	11	51.8 Å²	51.8	7%	0.067	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-45.2	177.6	177.1	0	0	0	0	109.9	E185 P186 S189 N200 M201 R202 Q207 V208	E185-V204 HydrophobicContact CB-CG1 4.31Å; E185-V204 HydrophobicContact CG-CG1 4.5Å; P186-V204 HydrophobicContact CB-CG1 3.98Å; S189-V204 VanDerWaalsContact CB-CG2 3.48Å; S189-V204 WeakPolarHBondContact OG-CG2 3.42Å; N200-V204 WeakPolarHBondContact O-CG2 3.42Å; N200-V204 PolarHBondContact O-N 3.32Å; M201-V204 PolarHBondContact O-N 2.81Å; R202-V204 VanDerWaalsContact C-N 3.3Å; R202-V204 PolarHBondContact O-N 3.07Å; V204-Q207 WeakPolarHBondContact O-CB 3.45Å; V204-Q207 PolarHBondContact O-N 2.71Å; V204-Q207 VanDerWaalsContact O-N 3.14Å; V204-V208 WeakPolarHBondContact O-CG2 3.42Å; V204-V208 PolarHBondContact O-N 2.95Å
205	L	98.7	Very high	98.3	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-72.7	-32.2	-179.6	-63.9	-145.6	0	0	0	113	F35 Y39 Y43 L45 P186 M201 R202 Q207 V208 D209	F35-L205 HydrophobicContact CE2-CD1 4.12Å; Y39-L205 HydrophobicContact CD2-CD1 3.61Å; Y39-L205 HydrophobicContact CD2-CD2 4.29Å; Y39-L205 HydrophobicContact CE2-CD1 4.45Å; Y39-L205 HydrophobicContact CG-CD1 3.74Å; Y43-L205 HydrophobicContact CD1-CD1 4.49Å; Y43-L205 HydrophobicContact CD2-CD1 3.25Å; Y43-L205 HydrophobicContact CD2-CG 4.15Å; Y43-L205 HydrophobicContact CE2-CD1 3.69Å; Y43-L205 HydrophobicContact CE2-CG 4.36Å; Y43-L205 HydrophobicContact CG-CB 4.36Å; Y43-L205 HydrophobicContact CG-CD1 3.7Å; Y43-L205 HydrophobicContact CG-CG 4.29Å; L45-L205 HydrophobicContact CD2-CB 3.95Å; P186-L205 HydrophobicContact CB-CD2 3.41Å; P186-L205 VanDerWaalsContact CB-CD2 3.41Å; P186-L205 HydrophobicContact CG-CD2 3.81Å; M201-L205 HydrophobicContact CE-CD2 4.37Å; M201-L205 WeakPolarHBondContact O-CG 3.36Å; M201-L205 PolarHBondContact O-N 3.37Å; R202-L205 PolarHBondContact O-N 3.02Å; L205-Q207 VanDerWaalsContact C-N 3.26Å; L205-Q207 PolarHBondContact O-N 2.99Å; L205-V208 PolarHBondContact O-N 2.74Å; L205-D209 WeakPolarHBondContact O-CB 3.47Å; L205-D209 PolarHBondContact O-N 3.23Å
206	E	98.8	Very high	98.3	Very high	97 Å²	97	52 Å²	52	45%	0.453	25%	0.252	S	S	.	.	H	α-helix	trans	-58.1	-41.5	167.3	-75.6	166.3	-175.2	0	0	110.6	R202 D209 N210	R202-E206 HydrophobicContact CG-CG 4.38Å; R202-E206 VanDerWaalsContact CG-OE1 3.26Å; R202-E206 WeakPolarHBondContact CG-OE1 3.24Å; R202-E206 WeakPolarHBondContact O-CB 3.45Å; R202-E206 VanDerWaalsContact O-CG 3.27Å; R202-E206 WeakPolarHBondContact O-CG 3.41Å; R202-E206 PolarHBondContact O-N 2.98Å; E206-D209 PolarHBondContact O-N 3.44Å; E206-N210 WeakPolarHBondContact O-CB 3.48Å; E206-N210 PolarHBondContact O-N 2.71Å; E206-N210 PolarHBondContact O-ND2 2.84Å
207	Q	98.7	Very high	98.4	Very high	95 Å²	95	49.7 Å²	49.7	44%	0.444	24%	0.244	S	C	.	.	H	α-helix	trans	-67.3	-43.9	175.4	-174.9	-179.3	1.5	0	0	112.5	K203 V204 L205 D209 N210 H211	K203-Q207 PolarHBondContact O-N 2.9Å; K203-Q207 VanDerWaalsContact O-N 3.09Å; V204-Q207 WeakPolarHBondContact O-CB 3.45Å; V204-Q207 PolarHBondContact O-N 2.71Å; V204-Q207 VanDerWaalsContact O-N 3.14Å; L205-Q207 VanDerWaalsContact C-N 3.26Å; L205-Q207 PolarHBondContact O-N 2.99Å; Q207-D209 VanDerWaalsContact C-N 3.3Å; Q207-D209 PolarHBondContact O-N 2.96Å; Q207-N210 WeakPolarHBondContact O-CB 3.46Å; Q207-N210 PolarHBondContact O-N 3.49Å; Q207-H211 PolarHBondContact O-N 3.01Å
208	V	98.9	Very high	98.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-41.7	175.3	168.3	0	0	0	0	110.9	F32 F35 E185 V204 L205 H211 I212	F32-V208 HydrophobicContact CD1-CG1 3.63Å; F32-V208 HydrophobicContact CD1-CG2 4.47Å; F32-V208 HydrophobicContact CE1-CG1 3.88Å; F32-V208 HydrophobicContact CG-CG1 4.09Å; F35-V208 HydrophobicContact CD1-CG1 3.99Å; F35-V208 HydrophobicContact CE1-CG1 3.55Å; F35-V208 HydrophobicContact CZ-CG1 4.42Å; E185-V208 HydrophobicContact CB-CG2 3.95Å; V204-V208 WeakPolarHBondContact O-CG2 3.42Å; V204-V208 PolarHBondContact O-N 2.95Å; L205-V208 PolarHBondContact O-N 2.74Å; V208-H211 WeakPolarHBondContact O-CB 3.43Å; V208-H211 PolarHBondContact O-N 2.9Å; V208-I212 HydrophobicContact CG1-CD1 4.36Å; V208-I212 WeakPolarHBondContact O-CG1 2.95Å; V208-I212 PolarHBondContact O-N 3.22Å
209	D	98.9	Very high	98.6	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.027	22%	0.219	C	C	.	.	H	α-helix	trans	-65.2	-41	175.8	-166.4	66.5	0	0	0	111.9	L45 P46 H47 L48 L205 E206 Q207 H211 I212 G213	L45-D209 WeakPolarHBondContact CA-OD1 3.42Å; L45-D209 HydrophobicContact CB-CB 4.41Å; L45-D209 WeakPolarHBondContact CB-OD1 3.41Å; L45-D209 HydrophobicContact CD2-CB 3.89Å; P46-D209 WeakPolarHBondContact CD-OD2 3.35Å; P46-D209 WeakPolarHBondContact CG-OD2 3.42Å; H47-D209 WeakPolarHBondContact CB-O 3.36Å; H47-D209 WeakPolarHBondContact CB-OD2 3.29Å; H47-D209 PolarHBondContact CD2-O 3.42Å; H47-D209 IonicContact CD2-OD2 3.07Å; H47-D209 PolarHBondContact CD2-OD2 2.95Å; H47-D209 VanDerWaalsContact CD2-OD2 3.29Å; H47-D209 IonicContact CG-OD2 3.42Å; H47-D209 PolarHBondContact N-OD1 3.49Å; H47-D209 PolarHBondContact N-OD2 2.91Å; L48-D209 WeakPolarHBondContact CB-OD1 3.31Å; L48-D209 PolarHBondContact N-OD1 3.5Å; L205-D209 WeakPolarHBondContact O-CB 3.47Å; L205-D209 PolarHBondContact O-N 3.23Å; E206-D209 PolarHBondContact O-N 3.44Å; Q207-D209 VanDerWaalsContact C-N 3.3Å; Q207-D209 PolarHBondContact O-N 2.96Å; D209-H211 VanDerWaalsContact C-N 3.29Å; D209-H211 PolarHBondContact O-N 3.41Å; D209-I212 WeakPolarHBondContact O-CB 3.14Å; D209-I212 PolarHBondContact O-N 3.5Å; D209-I212 VanDerWaalsContact O-N 3.12Å; D209-G213 PolarHBondContact O-N 3.16Å
210	N	98.9	Very high	98.7	Very high	95 Å²	95	43.4 Å²	43.4	51%	0.508	21%	0.207	S	C	.	.	H	α-helix	trans	-60.7	-36.9	172.7	-71.7	-35.9	0	0	0	112.3	E206 Q207 G213 F214	E206-N210 WeakPolarHBondContact O-CB 3.48Å; E206-N210 PolarHBondContact O-N 2.71Å; E206-N210 PolarHBondContact O-ND2 2.84Å; Q207-N210 WeakPolarHBondContact O-CB 3.46Å; Q207-N210 PolarHBondContact O-N 3.49Å; N210-G213 PolarHBondContact O-N 2.63Å; N210-F214 PolarHBondContact O-N 3.16Å
211	H	98.9	Very high	98.7	Very high	7 Å²	7	45.3 Å²	45.3	3%	0.032	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-41.2	173.3	-74	178.1	0	0	0	111.8	F32 F158 E159 W183 Q207 V208 D209 G213 F214 L215	F32-H211 HydrophobicContact CE1-CB 4.2Å; F32-H211 HydrophobicContact CZ-CB 4.44Å; F158-H211 HydrophobicContact CD1-CB 3.48Å; F158-H211 VanDerWaalsContact CD1-CB 3.48Å; F158-H211 AromaticContact CD1-CD2 3.96Å; F158-H211 AromaticContact CD1-CG 3.48Å; F158-H211 VanDerWaalsContact CD1-CG 3.48Å; F158-H211 AromaticContact CD1-ND1 3.85Å; F158-H211 HydrophobicContact CD2-CB 4.41Å; F158-H211 AromaticContact CD2-ND1 3.94Å; F158-H211 HydrophobicContact CE1-CB 3.47Å; F158-H211 VanDerWaalsContact CE1-CB 3.47Å; F158-H211 VanDerWaalsContact CE1-O 3.26Å; F158-H211 WeakPolarHBondContact CE1-O 3.16Å; F158-H211 HydrophobicContact CE2-CB 4.39Å; F158-H211 HydrophobicContact CG-CB 3.98Å; F158-H211 AromaticContact CG-CG 3.65Å; F158-H211 AromaticContact CG-ND1 3.49Å; F158-H211 WeakPolarHBondContact CG-ND1 3.13Å; F158-H211 HydrophobicContact CZ-CB 3.94Å; E159-H211 IonicContact OE1-CD2 3.62Å; E159-H211 IonicContact OE1-NE2 3.85Å; W183-H211 AromaticContact CD1-ND1 3.95Å; W183-H211 AromaticContact CE2-CE1 3.56Å; W183-H211 AromaticContact CE2-ND1 3.71Å; W183-H211 AromaticContact CZ2-CE1 3.55Å; W183-H211 AromaticContact NE1-CE1 3.57Å; W183-H211 AromaticContact NE1-ND1 3.44Å; W183-H211 PolarHBondContact NE1-ND1 2.9Å; Q207-H211 PolarHBondContact O-N 3.01Å; V208-H211 WeakPolarHBondContact O-CB 3.43Å; V208-H211 PolarHBondContact O-N 2.9Å; D209-H211 VanDerWaalsContact C-N 3.29Å; D209-H211 PolarHBondContact O-N 3.41Å; H211-G213 VanDerWaalsContact C-N 3.32Å; H211-G213 PolarHBondContact O-N 3.18Å; H211-F214 PolarHBondContact O-N 2.96Å; H211-L215 PolarHBondContact O-N 3.34Å
212	I	98.9	Very high	98.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-42.7	173.3	-65.5	166.8	0	0	0	110.5	F32 H47 L48 V208 D209 L215 T216 I232	F32-I212 HydrophobicContact CE2-CD1 4.07Å; F32-I212 HydrophobicContact CE2-CG1 3.63Å; F32-I212 HydrophobicContact CZ-CD1 4.31Å; F32-I212 HydrophobicContact CZ-CG1 3.57Å; H47-I212 HydrophobicContact CB-CG2 4.39Å; L48-I212 HydrophobicContact CB-CD1 3.99Å; L48-I212 HydrophobicContact CD1-CD1 4.2Å; L48-I212 HydrophobicContact CD2-CD1 4.18Å; L48-I212 HydrophobicContact CG-CD1 4.34Å; V208-I212 HydrophobicContact CG1-CD1 4.36Å; V208-I212 WeakPolarHBondContact O-CG1 2.95Å; V208-I212 PolarHBondContact O-N 3.22Å; D209-I212 WeakPolarHBondContact O-CB 3.14Å; D209-I212 PolarHBondContact O-N 3.5Å; D209-I212 VanDerWaalsContact O-N 3.12Å; I212-L215 PolarHBondContact O-N 2.98Å; I212-T216 WeakPolarHBondContact O-CB 3.44Å; I212-T216 PolarHBondContact O-N 3.27Å; I212-T216 PolarHBondContact O-OG1 3.17Å; I212-I232 HydrophobicContact CG1-CD1 4.32Å; I212-I232 HydrophobicContact CG2-CD1 3.92Å
213	G	98.8	Very high	98.5	Very high	11 Å²	11	44.3 Å²	44.3	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-45.3	173.1	0	0	0	0	0	112.7	D209 N210 H211 T216 S217	D209-G213 PolarHBondContact O-N 3.16Å; N210-G213 PolarHBondContact O-N 2.63Å; H211-G213 VanDerWaalsContact C-N 3.32Å; H211-G213 PolarHBondContact O-N 3.18Å; G213-T216 PolarHBondContact O-N 3.28Å; G213-S217 WeakPolarHBondContact O-CB 3.32Å; G213-S217 PolarHBondContact O-N 3.3Å
214	F	98.9	Very high	98.4	Very high	49 Å²	49	38.2 Å²	38.2	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-50.5	176.7	179.7	-98.8	0	0	0	111.9	E159 V162 N210 H211 T216 S217 K218	E159-F214 HydrophobicContact CB-CD1 4.39Å; E159-F214 HydrophobicContact CB-CE1 3.73Å; E159-F214 HydrophobicContact CB-CE2 4.49Å; E159-F214 HydrophobicContact CB-CZ 3.77Å; E159-F214 HydrophobicContact CG-CD1 4.02Å; E159-F214 HydrophobicContact CG-CD2 4.31Å; E159-F214 HydrophobicContact CG-CE1 3.79Å; E159-F214 HydrophobicContact CG-CE2 4.08Å; E159-F214 HydrophobicContact CG-CG 4.27Å; E159-F214 HydrophobicContact CG-CZ 3.8Å; V162-F214 HydrophobicContact CB-CD1 4.13Å; V162-F214 HydrophobicContact CB-CE1 3.82Å; V162-F214 HydrophobicContact CG1-CD1 3.92Å; V162-F214 HydrophobicContact CG1-CE1 3.66Å; V162-F214 HydrophobicContact CG2-CD1 4.31Å; V162-F214 HydrophobicContact CG2-CE1 4.48Å; N210-F214 PolarHBondContact O-N 3.16Å; H211-F214 PolarHBondContact O-N 2.96Å; F214-T216 VanDerWaalsContact C-N 3.34Å; F214-T216 PolarHBondContact O-N 2.7Å; F214-S217 PolarHBondContact O-N 3.3Å; F214-S217 PolarHBondContact O-OG 2.78Å; F214-K218 HydrophobicContact CD1-CG 4.31Å; F214-K218 HydrophobicContact CE1-CG 3.92Å; F214-K218 HydrophobicContact CE2-CG 4.24Å; F214-K218 HydrophobicContact CZ-CD 4.18Å; F214-K218 VanDerWaalsContact CZ-CE 3.42Å; F214-K218 HydrophobicContact CZ-CG 3.91Å; F214-K218 WeakPolarHBondContact O-CG 3.3Å; F214-K218 PolarHBondContact O-N 3.36Å
215	L	98.8	Very high	98.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-55.5	-49.9	176	171.8	62	0	0	0	111.3	L28 V30 F158 V162 H211 I212 S217 K218 L219	L28-L215 HydrophobicContact CD2-CD1 4.04Å; L28-L215 HydrophobicContact CD2-CD2 4.41Å; V30-L215 HydrophobicContact CG2-CD2 3.84Å; F158-L215 HydrophobicContact CE1-CB 4.45Å; V162-L215 HydrophobicContact CG1-CD1 3.95Å; V162-L215 HydrophobicContact CG2-CB 4.32Å; V162-L215 HydrophobicContact CG2-CD1 4.17Å; H211-L215 PolarHBondContact O-N 3.34Å; I212-L215 PolarHBondContact O-N 2.98Å; L215-S217 VanDerWaalsContact C-N 3.33Å; L215-S217 PolarHBondContact O-N 2.88Å; L215-K218 PolarHBondContact O-N 2.69Å; L215-L219 HydrophobicContact CD1-CD1 3.98Å; L215-L219 HydrophobicContact CD1-CG 4.13Å; L215-L219 HydrophobicContact CG-CD1 4.08Å; L215-L219 WeakPolarHBondContact O-CG 3.44Å; L215-L219 PolarHBondContact O-N 3.23Å
216	T	98.6	Very high	98.1	Very high	12 Å²	12	43.5 Å²	43.5	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-45.1	179.3	-61.5	0	0	0	0	111.2	I212 G213 F214 K218 L219 K220 W225	I212-T216 WeakPolarHBondContact O-CB 3.44Å; I212-T216 PolarHBondContact O-N 3.27Å; I212-T216 PolarHBondContact O-OG1 3.17Å; G213-T216 PolarHBondContact O-N 3.28Å; F214-T216 VanDerWaalsContact C-N 3.34Å; F214-T216 PolarHBondContact O-N 2.7Å; T216-K218 VanDerWaalsContact C-N 3.34Å; T216-K218 PolarHBondContact O-N 3.16Å; T216-L219 PolarHBondContact O-N 2.81Å; T216-K220 HydrophobicContact CG2-CD 4.07Å; T216-K220 WeakPolarHBondContact O-CB 3.37Å; T216-K220 WeakPolarHBondContact O-CG 3.46Å; T216-K220 PolarHBondContact O-N 3.19Å; T216-W225 HydrophobicContact CG2-CD2 4.41Å; T216-W225 HydrophobicContact CG2-CE3 3.95Å; T216-W225 HydrophobicContact CG2-CH2 3.62Å; T216-W225 HydrophobicContact CG2-CZ2 4.1Å; T216-W225 HydrophobicContact CG2-CZ3 3.55Å
217	S	98.6	Very high	98	Very high	57 Å²	57	41.7 Å²	41.7	40%	0.399	24%	0.243	S	C	.	.	H	α-helix	trans	-61.8	-39.9	178	78.9	0	0	0	0	112.5	G213 F214 L215 K220 A221	G213-S217 WeakPolarHBondContact O-CB 3.32Å; G213-S217 PolarHBondContact O-N 3.3Å; F214-S217 PolarHBondContact O-N 3.3Å; F214-S217 PolarHBondContact O-OG 2.78Å; L215-S217 VanDerWaalsContact C-N 3.33Å; L215-S217 PolarHBondContact O-N 2.88Å; S217-K220 PolarHBondContact O-N 3.27Å; S217-A221 VanDerWaalsContact O-CB 3.31Å; S217-A221 WeakPolarHBondContact O-CB 3.44Å; S217-A221 PolarHBondContact O-N 3.08Å
218	K	98.6	Very high	97.9	Very high	59 Å²	59	37.2 Å²	37.2	26%	0.257	22%	0.222	S	C	.	.	H	α-helix	trans	-68.4	-42.7	178.8	-72.1	-74.8	167.3	170.6	0	111.8	V162 E163 V166 F214 L215 T216 A221 L222	V162-K218 HydrophobicContact CG1-CB 4.21Å; V162-K218 HydrophobicContact CG1-CG 4.18Å; E163-K218 WeakPolarHBondContact OE1-CE 3.45Å; E163-K218 IonicContact OE1-NZ 3.29Å; E163-K218 PolarHBondContact OE1-NZ 3.48Å; E163-K218 IonicContact OE2-NZ 3.19Å; V166-K218 HydrophobicContact CG1-CB 4.27Å; F214-K218 HydrophobicContact CD1-CG 4.31Å; F214-K218 HydrophobicContact CE1-CG 3.92Å; F214-K218 HydrophobicContact CE2-CG 4.24Å; F214-K218 HydrophobicContact CZ-CD 4.18Å; F214-K218 VanDerWaalsContact CZ-CE 3.42Å; F214-K218 HydrophobicContact CZ-CG 3.91Å; F214-K218 WeakPolarHBondContact O-CG 3.3Å; F214-K218 PolarHBondContact O-N 3.36Å; L215-K218 PolarHBondContact O-N 2.69Å; T216-K218 VanDerWaalsContact C-N 3.34Å; T216-K218 PolarHBondContact O-N 3.16Å; K218-A221 PolarHBondContact O-N 2.83Å; K218-L222 WeakPolarHBondContact O-CG 3.33Å; K218-L222 PolarHBondContact O-N 2.95Å; K218-L222 VanDerWaalsContact O-N 3.15Å
219	L	98.4	Very high	97.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-43.8	174.5	-68.8	172	0	0	0	111.5	V166 L215 T216 L222 G223 L224 W225 V230	V166-L219 HydrophobicContact CG1-CD2 4.01Å; L215-L219 HydrophobicContact CD1-CD1 3.98Å; L215-L219 HydrophobicContact CD1-CG 4.13Å; L215-L219 HydrophobicContact CG-CD1 4.08Å; L215-L219 WeakPolarHBondContact O-CG 3.44Å; L215-L219 PolarHBondContact O-N 3.23Å; T216-L219 PolarHBondContact O-N 2.81Å; L219-L222 PolarHBondContact O-N 3.37Å; L219-G223 PolarHBondContact O-N 3.4Å; L219-L224 HydrophobicContact CB-CB 4.37Å; L219-L224 HydrophobicContact CD2-CB 3.79Å; L219-L224 HydrophobicContact CD2-CD1 4.08Å; L219-L224 PolarHBondContact O-N 2.9Å; L219-W225 HydrophobicContact CB-CB 4.45Å; L219-W225 HydrophobicContact CB-CE3 4.06Å; L219-W225 HydrophobicContact CD1-CE3 4.14Å; L219-W225 HydrophobicContact CD1-CZ3 4.34Å; L219-W225 PolarHBondContact O-N 3.02Å; L219-V230 HydrophobicContact CD1-CG2 3.77Å
220	K	98.3	Very high	97.9	Very high	92 Å²	92	37 Å²	37	40%	0.4	22%	0.221	S	C	.	.	H	α-helix	trans	-61.7	-47.7	175.8	-73.7	176.3	179.8	176.7	0	111.3	E50 T216 S217 L222 G223 W225	E50-K220 IonicContact OE1-NZ 3.64Å; E50-K220 PolarHBondContact OE1-NZ 2.77Å; T216-K220 HydrophobicContact CG2-CD 4.07Å; T216-K220 WeakPolarHBondContact O-CB 3.37Å; T216-K220 WeakPolarHBondContact O-CG 3.46Å; T216-K220 PolarHBondContact O-N 3.19Å; S217-K220 PolarHBondContact O-N 3.27Å; K220-L222 PolarHBondContact O-N 3.15Å; K220-G223 PolarHBondContact O-N 3.31Å; K220-G223 VanDerWaalsContact O-N 3.09Å; K220-W225 HydrophobicContact CB-CB 4.36Å; K220-W225 HydrophobicContact CD-CG 4.48Å; K220-W225 HydrophobicContact CG-CB 3.67Å; K220-W225 HydrophobicContact CG-CD2 3.95Å; K220-W225 HydrophobicContact CG-CE3 4.49Å; K220-W225 HydrophobicContact CG-CG 3.57Å
221	A	98.3	Very high	97.9	Very high	85 Å²	85	32.5 Å²	32.5	70%	0.702	20%	0.196	S	C	*	.	H	α-helix	trans	-62.1	-29.1	-178.9	0	0	0	0	0	113.8	S217 K218	S217-A221 VanDerWaalsContact O-CB 3.31Å; S217-A221 WeakPolarHBondContact O-CB 3.44Å; S217-A221 PolarHBondContact O-N 3.08Å; K218-A221 PolarHBondContact O-N 2.83Å
222	L	97.2	Very high	97.9	Very high	68 Å²	68	32.1 Å²	32.1	36%	0.356	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	4.8	178.8	-66.6	169.8	0	0	0	113.5	V166 K218 L219 K220 L224	V166-L222 HydrophobicContact CB-CD1 3.62Å; V166-L222 HydrophobicContact CG2-CD1 3.56Å; K218-L222 WeakPolarHBondContact O-CG 3.33Å; K218-L222 PolarHBondContact O-N 2.95Å; K218-L222 VanDerWaalsContact O-N 3.15Å; L219-L222 PolarHBondContact O-N 3.37Å; K220-L222 PolarHBondContact O-N 3.15Å; L222-L224 HydrophobicContact CB-CD1 4.05Å; L222-L224 HydrophobicContact CB-CG 4Å; L222-L224 HydrophobicContact CD1-CD1 4.35Å; L222-L224 PolarHBondContact O-N 3.41Å
223	G	96.6	Very high	97.9	Very high	53 Å²	53	32.1 Å²	32.1	55%	0.546	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	19.5	-176.5	0	0	0	0	0	114	L219 K220 T227	L219-G223 PolarHBondContact O-N 3.4Å; K220-G223 PolarHBondContact O-N 3.31Å; K220-G223 VanDerWaalsContact O-N 3.09Å; G223-T227 PolarHBondContact O-OG1 3.39Å
224	L	96.7	Very high	97.9	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	19%	0.19	C	C	.	.			trans	-90	-19.8	-179.6	-64.5	177	0	0	0	112.9	V166 L169 N170 L219 L222 D226 T227 V228	V166-L224 HydrophobicContact CB-CD1 4.46Å; L169-L224 HydrophobicContact CB-CD1 4.1Å; N170-L224 HydrophobicContact CB-CD1 4.44Å; L219-L224 HydrophobicContact CB-CB 4.37Å; L219-L224 HydrophobicContact CD2-CB 3.79Å; L219-L224 HydrophobicContact CD2-CD1 4.08Å; L219-L224 PolarHBondContact O-N 2.9Å; L222-L224 HydrophobicContact CB-CD1 4.05Å; L222-L224 HydrophobicContact CB-CG 4Å; L222-L224 HydrophobicContact CD1-CD1 4.35Å; L222-L224 PolarHBondContact O-N 3.41Å; L224-D226 PolarHBondContact O-N 2.75Å; L224-T227 WeakPolarHBondContact CA-OG1 3.32Å; L224-T227 PolarHBondContact O-N 3.05Å; L224-T227 VanDerWaalsContact O-N 3.12Å; L224-T227 PolarHBondContact O-OG1 3.25Å; L224-V228 HydrophobicContact CB-CG2 4.03Å; L224-V228 HydrophobicContact CD2-CG2 4.18Å; L224-V228 WeakPolarHBondContact O-CB 3.44Å; L224-V228 PolarHBondContact O-N 2.56Å
225	W	96.5	Very high	97.9	Very high	17 Å²	17	29.4 Å²	29.4	6%	0.064	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-47.7	-173.4	-176.6	-107.6	0	0	0	114.2	F51 T216 L219 K220 H350	F51-W225 AromaticContact CD2-CH2 3.61Å; F51-W225 HydrophobicContact CD2-CH2 3.61Å; F51-W225 HydrophobicContact CD2-CZ3 4.2Å; F51-W225 AromaticContact CE2-CH2 3.92Å; F51-W225 HydrophobicContact CE2-CH2 3.92Å; F51-W225 HydrophobicContact CE2-CZ3 4.2Å; T216-W225 HydrophobicContact CG2-CD2 4.41Å; T216-W225 HydrophobicContact CG2-CE3 3.95Å; T216-W225 HydrophobicContact CG2-CH2 3.62Å; T216-W225 HydrophobicContact CG2-CZ2 4.1Å; T216-W225 HydrophobicContact CG2-CZ3 3.55Å; L219-W225 HydrophobicContact CB-CB 4.45Å; L219-W225 HydrophobicContact CB-CE3 4.06Å; L219-W225 HydrophobicContact CD1-CE3 4.14Å; L219-W225 HydrophobicContact CD1-CZ3 4.34Å; L219-W225 PolarHBondContact O-N 3.02Å; K220-W225 HydrophobicContact CB-CB 4.36Å; K220-W225 HydrophobicContact CD-CG 4.48Å; K220-W225 HydrophobicContact CG-CB 3.67Å; K220-W225 HydrophobicContact CG-CD2 3.95Å; K220-W225 HydrophobicContact CG-CE3 4.49Å; K220-W225 HydrophobicContact CG-CG 3.57Å; W225-H350 AromaticContact CD1-CE1 3.78Å; W225-H350 AromaticContact CD2-CE1 3.69Å; W225-H350 AromaticContact CE2-CE1 3.18Å; W225-H350 AromaticContact CE2-ND1 3.65Å; W225-H350 AromaticContact CE2-NE2 3.49Å; W225-H350 HydrophobicContact CH2-CB 4.39Å; W225-H350 AromaticContact CH2-CG 3.86Å; W225-H350 AromaticContact CH2-ND1 3.73Å; W225-H350 AromaticContact CZ2-CD2 3.64Å; W225-H350 AromaticContact CZ2-CE1 3.45Å; W225-H350 VanDerWaalsContact CZ2-CE1 3.45Å; W225-H350 WeakPolarHBondContact CZ2-CE1 3.46Å; W225-H350 AromaticContact CZ2-CG 3.66Å; W225-H350 AromaticContact CZ2-ND1 3.52Å; W225-H350 AromaticContact CZ2-NE2 3.52Å; W225-H350 AromaticContact NE1-CE1 3.24Å; W225-H350 PolarHBondContact NE1-CE1 3.33Å; W225-H350 AromaticContact NE1-NE2 3.34Å; W225-H350 PolarHBondContact NE1-NE2 3.47Å; W225-H350 PolarHBondContact O-CE1 3.45Å
226	D	94.5	Very high	97.9	Very high	105 Å²	105	29.3 Å²	29.3	56%	0.561	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.8	-178.6	-59.9	-57.6	0	0	0	113.5	L224	L224-D226 PolarHBondContact O-N 2.75Å
227	T	95.5	Very high	97.9	Very high	60 Å²	60	28.8 Å²	28.8	37%	0.368	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-13.8	-173.8	64.8	0	0	0	0	113.9	G223 L224	G223-T227 PolarHBondContact O-OG1 3.39Å; L224-T227 WeakPolarHBondContact CA-OG1 3.32Å; L224-T227 PolarHBondContact O-N 3.05Å; L224-T227 VanDerWaalsContact O-N 3.12Å; L224-T227 PolarHBondContact O-OG1 3.25Å
228	V	97.8	Very high	97.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.8	177.8	178.1	0	0	0	0	109.1	R26 L28 L224 V230	R26-V228 HydrophobicContact CB-CB 4.45Å; R26-V228 HydrophobicContact CB-CG1 4.38Å; R26-V228 HydrophobicContact CB-CG2 3.98Å; L28-V228 HydrophobicContact CB-CG1 4.1Å; L224-V228 HydrophobicContact CB-CG2 4.03Å; L224-V228 HydrophobicContact CD2-CG2 4.18Å; L224-V228 WeakPolarHBondContact O-CB 3.44Å; L224-V228 PolarHBondContact O-N 2.56Å; V228-V230 HydrophobicContact CG1-CG2 4.28Å
229	N	98.8	Very high	97.9	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.011	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.4	167.4	-60.1	-69.3	0	0	0	108.7	S25 R26 L27 L28 H350 P352 A353 F354 I375	S25-N229 PolarHBondContact OG-ND2 3.05Å; R26-N229 WeakPolarHBondContact O-CB 3.32Å; R26-N229 PolarHBondContact O-N 3.02Å; R26-N229 PolarHBondContact O-ND2 3.24Å; L27-N229 CarbonylContact C-O 3.54Å; L27-N229 VanDerWaalsContact CA-O 3.27Å; L27-N229 WeakPolarHBondContact CA-O 3.34Å; L27-N229 HydrophobicContact CD1-CB 3.63Å; L28-N229 PolarHBondContact N-O 3.29Å; N229-H350 CarbonylContact C-O 3.6Å; N229-H350 WeakPolarHBondContact CA-O 2.91Å; N229-P352 VanDerWaalsContact OD1-CD 3.25Å; N229-P352 WeakPolarHBondContact OD1-CD 3.43Å; N229-A353 WeakPolarHBondContact OD1-CB 3.28Å; N229-A353 PolarHBondContact OD1-N 2.75Å; N229-F354 HydrophobicContact CB-CD2 4.46Å; N229-F354 HydrophobicContact CB-CE2 4Å; N229-I375 HydrophobicContact CB-CG2 4.2Å; N229-I375 WeakPolarHBondContact ND2-CG2 3.19Å
230	V	98.9	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.4	179	-174.3	0	0	0	0	108.3	L28 V30 F51 L219 V228 I232 A349 H350	L28-V230 HydrophobicContact CB-CG2 4.48Å; L28-V230 HydrophobicContact CD2-CG1 4.49Å; L28-V230 CarbonylContact O-C 3.54Å; L28-V230 WeakPolarHBondContact O-CA 3.41Å; V30-V230 HydrophobicContact CG2-CG1 4.24Å; F51-V230 HydrophobicContact CE2-CB 4.04Å; F51-V230 HydrophobicContact CE2-CG1 3.9Å; F51-V230 HydrophobicContact CZ-CB 4.01Å; F51-V230 HydrophobicContact CZ-CG1 3.94Å; L219-V230 HydrophobicContact CD1-CG2 3.77Å; V228-V230 HydrophobicContact CG1-CG2 4.28Å; V230-I232 HydrophobicContact CG1-CG1 4.27Å; V230-A349 CarbonylContact O-C 3.32Å; V230-A349 WeakPolarHBondContact O-CA 3.17Å; V230-A349 WeakPolarHBondContact O-CB 3.32Å; V230-H350 PolarHBondContact N-O 3.15Å; V230-H350 PolarHBondContact O-N 3.04Å
231	I	98.9	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.4	170.7	-62.1	171.3	0	0	0	107.2	L27 L28 L29 V30 L347 A349 F354 M371 M372	L27-I231 HydrophobicContact CD1-CD1 3.79Å; L27-I231 HydrophobicContact CD1-CG1 3.97Å; L27-I231 HydrophobicContact CD2-CD1 4.45Å; L28-I231 PolarHBondContact O-N 2.99Å; L29-I231 HydrophobicContact CD1-CB 3.93Å; L29-I231 HydrophobicContact CD1-CG2 3.75Å; V30-I231 PolarHBondContact N-O 3.47Å; I231-L347 HydrophobicContact CG2-CD1 3.75Å; I231-L347 HydrophobicContact CG2-CD2 4.38Å; I231-L347 HydrophobicContact CG2-CG 3.84Å; I231-A349 HydrophobicContact CB-CB 4.49Å; I231-A349 HydrophobicContact CG1-CB 3.94Å; I231-F354 HydrophobicContact CD1-CZ 4.1Å; I231-F354 HydrophobicContact CG1-CE2 4.17Å; I231-F354 HydrophobicContact CG1-CZ 3.82Å; I231-M371 HydrophobicContact CD1-CE 3.62Å; I231-M372 HydrophobicContact CD1-CG 3.94Å; I231-M372 HydrophobicContact CD1-SD 4.42Å
232	I	98.9	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.8	170	-60.4	176.8	0	0	0	107.5	V30 F32 F51 I212 V230 F346 L347 A348	V30-I232 HydrophobicContact CB-CG1 4.23Å; V30-I232 WeakPolarHBondContact O-CA 3.49Å; F32-I232 HydrophobicContact CD2-CG2 3.81Å; F32-I232 HydrophobicContact CE2-CG2 3.91Å; F51-I232 HydrophobicContact CD1-CD1 4.2Å; F51-I232 HydrophobicContact CD2-CD1 3.87Å; F51-I232 HydrophobicContact CE1-CD1 4.02Å; F51-I232 HydrophobicContact CE1-CG1 4.22Å; F51-I232 HydrophobicContact CE2-CD1 3.71Å; F51-I232 HydrophobicContact CE2-CG1 4.24Å; F51-I232 HydrophobicContact CG-CD1 4.16Å; F51-I232 HydrophobicContact CZ-CD1 3.78Å; F51-I232 HydrophobicContact CZ-CG1 3.91Å; I212-I232 HydrophobicContact CG1-CD1 4.32Å; I212-I232 HydrophobicContact CG2-CD1 3.92Å; V230-I232 HydrophobicContact CG1-CG1 4.27Å; I232-F346 HydrophobicContact CG2-CE2 4.41Å; I232-F346 HydrophobicContact CG2-CZ 4.25Å; I232-L347 WeakPolarHBondContact O-CA 3.39Å; I232-A348 PolarHBondContact N-O 2.9Å; I232-A348 PolarHBondContact O-N 2.87Å; I232-A348 VanDerWaalsContact O-O 3.13Å
233	T	98.8	Very high	97.6	Very high	0 Å²	0	20 Å²	20	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-175.5	179.8	-169.1	0	0	0	0	109.8	L29 V30 S31 F32 I76 F346	L29-T233 HydrophobicContact CD1-CG2 4Å; V30-T233 PolarHBondContact O-N 2.85Å; S31-T233 WeakPolarHBondContact CA-O 3.45Å; F32-T233 PolarHBondContact N-O 3.37Å; F32-T233 VanDerWaalsContact N-O 3.09Å; I76-T233 HydrophobicContact CD1-CG2 4.36Å; T233-F346 WeakPolarHBondContact CA-O 3.35Å; T233-F346 PolarHBondContact OG1-O 3.46Å; T233-F346 VanDerWaalsContact OG1-O 3.05Å
234	S	98.8	Very high	97.6	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	15%	0.151	C	C	.	.			trans	-138.3	172.8	165.1	179.6	0	0	0	0	109.3	F32 G34 F35 H236 P345	F32-S234 WeakPolarHBondContact O-CB 3.34Å; F32-S234 PolarHBondContact O-OG 3.03Å; G34-S234 PolarHBondContact N-OG 2.82Å; G34-S234 VanDerWaalsContact N-OG 3.14Å; F35-S234 PolarHBondContact N-OG 2.92Å; S234-H236 PolarHBondContact OG-O 2.83Å; S234-P345 VanDerWaalsContact O-CG 3.3Å; S234-P345 WeakPolarHBondContact O-CG 3.42Å
235	D	98.5	Very high	97.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.167	C	C	.	.	S	Bend	trans	-92.8	-39.2	-178.2	57.4	-25.4	0	0	0	112.7	G34 N63 T69 N72 H73	G34-D235 PolarHBondContact N-OD1 3.25Å; G34-D235 VanDerWaalsContact N-OD1 3.09Å; N63-D235 WeakPolarHBondContact CB-O 3.25Å; N63-D235 PolarHBondContact ND2-O 2.83Å; N63-D235 VanDerWaalsContact ND2-O 3.13Å; T69-D235 WeakPolarHBondContact CA-OD2 3.24Å; N72-D235 HydrophobicContact CB-CB 3.89Å; N72-D235 WeakPolarHBondContact CB-O 3.37Å; H73-D235 WeakPolarHBondContact CE1-CB 3.36Å; H73-D235 IonicContact CE1-OD1 3.42Å; H73-D235 IonicContact CE1-OD2 2.68Å; H73-D235 PolarHBondContact CE1-OD2 3.09Å; H73-D235 WeakPolarHBondContact ND1-CB 3.31Å; H73-D235 IonicContact ND1-OD2 3.38Å; H73-D235 PolarHBondContact ND1-OD2 3.05Å; H73-D235 VanDerWaalsContact ND1-OD2 3.12Å
236	H	98.8	Very high	97.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.			trans	-152.4	179.5	175.8	54.7	69.5	0	0	0	112.5	D33 G34 F35 N63 T67 T69 D187 S234 H334 M343	D33-H236 IonicContact OD1-CE1 3.72Å; D33-H236 PolarHBondContact OD1-CE1 3.16Å; D33-H236 IonicContact OD1-NE2 2.68Å; D33-H236 PolarHBondContact OD1-NE2 2.99Å; G34-H236 CarbonylContact C-O 3.54Å; G34-H236 VanDerWaalsContact C-O 3.32Å; G34-H236 VanDerWaalsContact CA-O 3.28Å; G34-H236 WeakPolarHBondContact CA-O 3.49Å; F35-H236 PolarHBondContact N-O 2.92Å; N63-H236 WeakPolarHBondContact ND2-CA 3.43Å; N63-H236 WeakPolarHBondContact ND2-CB 3.47Å; T67-H236 PolarHBondContact O-CD2 2.99Å; T69-H236 PolarHBondContact OG1-NE2 3.2Å; D187-H236 IonicContact OD2-CE1 2.75Å; D187-H236 PolarHBondContact OD2-CE1 3.41Å; S234-H236 PolarHBondContact OG-O 2.83Å; H236-H334 AromaticContact CD2-CE1 3.79Å; H236-H334 AromaticContact CD2-ND1 3.43Å; H236-H334 PolarHBondContact CD2-ND1 2.67Å; H236-H334 AromaticContact CE1-CD2 3.47Å; H236-H334 PolarHBondContact CE1-CD2 3.14Å; H236-H334 VanDerWaalsContact CE1-CD2 3.47Å; H236-H334 AromaticContact CE1-CE1 3.24Å; H236-H334 PolarHBondContact CE1-CE1 3.24Å; H236-H334 AromaticContact CE1-CG 3.28Å; H236-H334 AromaticContact CE1-ND1 3.15Å; H236-H334 PolarHBondContact CE1-ND1 3.33Å; H236-H334 AromaticContact CE1-NE2 3.53Å; H236-H334 AromaticContact CG-CG 3.98Å; H236-H334 AromaticContact CG-ND1 3.64Å; H236-H334 AromaticContact ND1-CD2 3.95Å; H236-H334 AromaticContact ND1-CG 3.39Å; H236-H334 AromaticContact ND1-ND1 3.45Å; H236-H334 PolarHBondContact ND1-ND1 2.75Å; H236-H334 AromaticContact NE2-CE1 2.97Å; H236-H334 PolarHBondContact NE2-CE1 2.68Å; H236-H334 AromaticContact NE2-CG 3.71Å; H236-H334 AromaticContact NE2-ND1 3.04Å; H236-H334 PolarHBondContact NE2-ND1 3.41Å; H236-H334 AromaticContact NE2-NE2 3.69Å; H236-M343 CarbonylContact C-O 3.49Å; H236-M343 WeakPolarHBondContact CA-O 3.39Å
237	G	98.4	Very high	97.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.			trans	-99.6	-148.1	169.2	0	0	0	0	0	112.1	H334 S342 M343	G237-H334 WeakPolarHBondContact O-CB 2.94Å; G237-S342 CarbonylContact C-O 3.57Å; G237-S342 VanDerWaalsContact CA-O 3.23Å; G237-S342 WeakPolarHBondContact CA-O 3.42Å; G237-M343 VanDerWaalsContact N-C 3.31Å; G237-M343 PolarHBondContact N-O 2.86Å
238	M	98.7	Very high	97.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.147	C	C	.	.			trans	-157.2	136.7	-172.9	-175.8	63.3	64.7	0	0	110.4	R36 D187 P195 G332 D333 S342	R36-M238 VanDerWaalsContact CD-O 3.28Å; R36-M238 WeakPolarHBondContact CD-O 3.1Å; R36-M238 PolarHBondContact NH1-O 3.45Å; D187-M238 WeakPolarHBondContact OD2-CE 3.38Å; P195-M238 HydrophobicContact CB-CB 4.4Å; P195-M238 HydrophobicContact CB-CG 4.05Å; P195-M238 HydrophobicContact CG-CG 4.02Å; M238-G332 VanDerWaalsContact SD-C 3.53Å; M238-D333 PolarHBondContact SD-N 3.16Å; M238-S342 PolarHBondContact N-O 3.01Å
239	A	98.4	Very high	97.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.2	176.1	0	0	0	0	0	111.4	E318 G332 D333 Y336 M343	A239-E318 HydrophobicContact CB-CG 4.08Å; A239-G332 CarbonylContact O-C 3.39Å; A239-G332 WeakPolarHBondContact O-CA 3.38Å; A239-D333 PolarHBondContact N-O 3.47Å; A239-D333 PolarHBondContact O-N 3.11Å; A239-Y336 HydrophobicContact CB-CD2 4.13Å; A239-Y336 HydrophobicContact CB-CE2 3.75Å; A239-M343 HydrophobicContact CB-CE 3.68Å
240	P	98	Very high	97.7	Very high	45 Å²	45	28.4 Å²	28.4	29%	0.292	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	142.7	179.8	31.9	-36	0	0	0	111.5	P195 D196 G319	P195-P240 HydrophobicContact CG-CB 4.18Å; D196-P240 WeakPolarHBondContact OD2-CG 3.4Å; P240-G319 WeakPolarHBondContact O-CA 3.45Å
241	C	97.4	Very high	97.4	Very high	16 Å²	16	31.8 Å²	31.8	11%	0.108	19%	0.19	C	C	.	.			trans	-108	156	173	-67.4	0	0	0	0	111.5	L328 L331 D333	C241-L328 HydrophobicContact CB-CD1 3.82Å; C241-L328 HydrophobicContact CB-CD2 4.22Å; C241-L331 PolarHBondContact N-O 2.89Å; C241-D333 WeakPolarHBondContact SG-CB 3.4Å
242	S	96.1	Very high	96.9	Very high	43 Å²	43	34.2 Å²	34.2	30%	0.301	21%	0.206	S	C	.	.			trans	-138.5	135.1	179.8	-173	0	0	0	0	112	K244 K245	S242-K244 PolarHBondContact O-N 3.15Å; S242-K244 PolarHBondContact OG-N 3.48Å; S242-K245 PolarHBondContact O-N 3.35Å
243	A	95.4	Very high	96.8	Very high	71 Å²	71	34.5 Å²	34.5	59%	0.587	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.3	174.5	0	0	0	0	0	112.8	L328	A243-L328 HydrophobicContact CB-CB 4.31Å; A243-L328 HydrophobicContact CB-CD2 4.34Å
244	K	96.1	Very high	96.6	Very high	192 Å²	192	35.8 Å²	35.8	84%	0.835	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.7	173.6	-61.6	-178.2	179.9	179.3	0	113.4	S242	S242-K244 PolarHBondContact O-N 3.15Å; S242-K244 PolarHBondContact OG-N 3.48Å
245	K	96.8	Very high	96.4	Very high	84 Å²	84	40.7 Å²	40.7	37%	0.365	24%	0.239	S	C	.	.	S	Bend	trans	-119.7	53.7	-175.9	-66.6	-174.1	173.2	-173.6	0	110.6	S242 G319 W320 T321	S242-K245 PolarHBondContact O-N 3.35Å; K245-G319 WeakPolarHBondContact CB-O 3.31Å; K245-G319 WeakPolarHBondContact CD-O 3.46Å; K245-W320 HydrophobicContact CB-CD2 3.69Å; K245-W320 HydrophobicContact CB-CE3 3.83Å; K245-W320 HydrophobicContact CB-CG 4.05Å; K245-W320 HydrophobicContact CB-CZ2 4.44Å; K245-W320 HydrophobicContact CB-CZ3 4.29Å; K245-W320 HydrophobicContact CD-CD2 4.5Å; K245-W320 HydrophobicContact CD-CG 4.45Å; K245-W320 HydrophobicContact CG-CD2 4.19Å; K245-W320 HydrophobicContact CG-CZ2 4.21Å; K245-W320 WeakPolarHBondContact O-CA 3.38Å; K245-T321 PolarHBondContact O-N 2.72Å
246	L	96.8	Very high	96.3	Very high	39 Å²	39	46.4 Å²	46.4	20%	0.204	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.4	178.9	-61.3	-175.3	0	0	0	111.1	I248 T321 L328	L246-I248 HydrophobicContact CB-CG1 4.4Å; L246-T321 WeakPolarHBondContact CA-O 3.5Å; L246-T321 HydrophobicContact CD2-CG2 4.23Å; L246-L328 HydrophobicContact CD2-CB 4.24Å; L246-L328 HydrophobicContact CD2-CD1 4.06Å
247	I	96.9	Very high	96.2	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	107	170.7	-53.8	-179.4	0	0	0	106.9	L249 N286 M289 W320 T321 I322 V323	I247-L249 HydrophobicContact CG2-CD2 4.45Å; I247-N286 HydrophobicContact CD1-CB 4.05Å; I247-N286 HydrophobicContact CG1-CB 4.2Å; I247-N286 HydrophobicContact CG2-CB 3.88Å; I247-M289 HydrophobicContact CD1-CB 3.56Å; I247-M289 HydrophobicContact CD1-CG 4.48Å; I247-M289 HydrophobicContact CD1-SD 4.43Å; I247-M289 HydrophobicContact CG2-CE 4.28Å; I247-M289 HydrophobicContact CG2-SD 4.2Å; I247-W320 HydrophobicContact CD1-CB 4.46Å; I247-W320 HydrophobicContact CD1-CE3 4.15Å; I247-W320 HydrophobicContact CG1-CE3 3.71Å; I247-W320 HydrophobicContact CG1-CZ3 4.23Å; I247-T321 PolarHBondContact N-O 2.84Å; I247-I322 HydrophobicContact CB-CG1 4.35Å; I247-I322 HydrophobicContact CD1-CG1 4.34Å; I247-V323 PolarHBondContact O-N 2.75Å; I247-V323 VanDerWaalsContact O-O 3.12Å
248	I	96.6	Very high	96.1	Very high	69 Å²	69	47.7 Å²	47.7	35%	0.354	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	102	-173	-58.5	171	0	0	0	109.5	L246 D250 G251 C252 V323 Q324	L246-I248 HydrophobicContact CB-CG1 4.4Å; I248-D250 PolarHBondContact O-N 3.42Å; I248-G251 PolarHBondContact O-N 2.87Å; I248-C252 PolarHBondContact O-N 3.23Å; I248-C252 PolarHBondContact O-SG 2.95Å; I248-C252 VanDerWaalsContact O-SG 3.39Å; I248-V323 HydrophobicContact CB-CG2 4.4Å; I248-V323 HydrophobicContact CG1-CG2 3.79Å; I248-Q324 WeakPolarHBondContact CG2-O 3.5Å
249	L	97.1	Very high	96.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-38.4	-172.2	-64.9	-177.1	0	0	0	113.4	I247 G251 C252 I253 Y258 L260 L282 L314 I322 V323 Q324	I247-L249 HydrophobicContact CG2-CD2 4.45Å; L249-G251 VanDerWaalsContact C-N 3.26Å; L249-G251 PolarHBondContact O-N 2.97Å; L249-C252 PolarHBondContact O-N 3.42Å; L249-C252 VanDerWaalsContact O-N 3.15Å; L249-I253 VanDerWaalsContact O-CG1 3.28Å; L249-I253 WeakPolarHBondContact O-CG1 3.33Å; L249-I253 PolarHBondContact O-N 3.42Å; L249-Y258 HydrophobicContact CB-CE1 4.33Å; L249-Y258 HydrophobicContact CB-CE2 4.22Å; L249-Y258 WeakPolarHBondContact CB-OH 3.49Å; L249-Y258 HydrophobicContact CD1-CE2 3.81Å; L249-L260 HydrophobicContact CD1-CD1 4.03Å; L249-L282 HydrophobicContact CD2-CD2 3.96Å; L249-L314 HydrophobicContact CD1-CD1 4.07Å; L249-L314 HydrophobicContact CD2-CD1 3.97Å; L249-I322 HydrophobicContact CD1-CG2 3.73Å; L249-I322 HydrophobicContact CD2-CG2 4.04Å; L249-I322 HydrophobicContact CG-CG2 3.8Å; L249-V323 PolarHBondContact N-O 2.99Å; L249-Q324 PolarHBondContact N-O 3.37Å
250	D	96.4	Very high	96	Very high	34 Å²	34	50.5 Å²	50.5	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-36	-178.9	-76.7	-5.1	0	0	0	112.1	I248 G254 R255 Y258 Q324 N325	I248-D250 PolarHBondContact O-N 3.42Å; D250-G254 VanDerWaalsContact O-CA 3.27Å; D250-G254 WeakPolarHBondContact O-CA 3.39Å; D250-G254 PolarHBondContact O-N 2.83Å; D250-G254 VanDerWaalsContact O-N 3.1Å; D250-R255 WeakPolarHBondContact OD1-CA 3.39Å; D250-R255 VanDerWaalsContact OD1-CD 3.22Å; D250-R255 WeakPolarHBondContact OD1-CD 3.31Å; D250-R255 WeakPolarHBondContact OD2-CD 3.41Å; D250-Y258 WeakPolarHBondContact OD1-CE1 3.41Å; D250-Y258 PolarHBondContact OD1-OH 2.81Å; D250-Q324 VanDerWaalsContact CB-O 3.24Å; D250-Q324 WeakPolarHBondContact CB-O 3.37Å; D250-Q324 PolarHBondContact N-O 2.86Å; D250-N325 HydrophobicContact CB-CB 4.19Å
251	G	93.5	Very high	96	Very high	71 Å²	71	49.9 Å²	49.9	73%	0.732	29%	0.287	S	S	*	.	H	α-helix	trans	-72.2	-31.8	176.1	0	0	0	0	0	113.3	I248 L249	I248-G251 PolarHBondContact O-N 2.87Å; L249-G251 VanDerWaalsContact C-N 3.26Å; L249-G251 PolarHBondContact O-N 2.97Å
252	C	89.6	Confident	95.9	Very high	50 Å²	50	49.4 Å²	49.4	34%	0.338	28%	0.283	S	S	.	.	H	α-helix	trans	-78.5	-53.5	179.2	-68.8	0	0	0	0	113.4	I248 L249 C285	I248-C252 PolarHBondContact O-N 3.23Å; I248-C252 PolarHBondContact O-SG 2.95Å; I248-C252 VanDerWaalsContact O-SG 3.39Å; L249-C252 PolarHBondContact O-N 3.42Å; L249-C252 VanDerWaalsContact O-N 3.15Å; C252-C285 HydrophobicContact CB-CB 3.49Å; C252-C285 VanDerWaalsContact CB-CB 3.49Å; C252-C285 WeakPolarHBondContact CB-SG 3.37Å; C252-C285 WeakPolarHBondContact SG-CB 3.41Å; C252-C285 CovalentContact SG-SG 2.05Å; C252-C285 PolarHBondContact SG-SG 3.38Å
253	I	95.1	Very high	95.6	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-119.5	-5.2	-163	71.5	157.9	0	0	0	112.5	L249 N257 Y258 V278 L281 L282 C285	L249-I253 VanDerWaalsContact O-CG1 3.28Å; L249-I253 WeakPolarHBondContact O-CG1 3.33Å; L249-I253 PolarHBondContact O-N 3.42Å; I253-N257 PolarHBondContact O-ND2 3.38Å; I253-Y258 HydrophobicContact CD1-CD1 3.42Å; I253-Y258 VanDerWaalsContact CD1-CD1 3.42Å; I253-Y258 HydrophobicContact CD1-CD2 4.5Å; I253-Y258 HydrophobicContact CD1-CE1 3.9Å; I253-Y258 HydrophobicContact CD1-CG 3.79Å; I253-Y258 HydrophobicContact CG1-CD1 3.86Å; I253-Y258 HydrophobicContact CG1-CE1 3.93Å; I253-V278 HydrophobicContact CD1-CG1 4.33Å; I253-L281 HydrophobicContact CB-CB 3.98Å; I253-L281 HydrophobicContact CB-CD1 4.24Å; I253-L281 HydrophobicContact CG2-CB 3.61Å; I253-L282 HydrophobicContact CD1-CD1 4.47Å; I253-L282 HydrophobicContact CD1-CD2 3.73Å; I253-L282 HydrophobicContact CD1-CG 4.01Å; I253-L282 HydrophobicContact CG1-CD2 4.46Å; I253-L282 HydrophobicContact CG2-CD2 3.96Å; I253-L282 HydrophobicContact CG2-CG 4.12Å; I253-C285 HydrophobicContact CG2-CB 4.49Å
254	G	95.1	Very high	95.4	Very high	27 Å²	27	49.4 Å²	49.4	28%	0.278	27%	0.266	S	S	.	.			trans	77.9	129.8	179.6	0	0	0	0	0	114.2	D250 N256 N257	D250-G254 VanDerWaalsContact O-CA 3.27Å; D250-G254 WeakPolarHBondContact O-CA 3.39Å; D250-G254 PolarHBondContact O-N 2.83Å; D250-G254 VanDerWaalsContact O-N 3.1Å; G254-N256 PolarHBondContact O-N 3.33Å; G254-N257 PolarHBondContact O-N 2.82Å; G254-N257 VanDerWaalsContact O-N 3.08Å
255	R	94.9	Very high	95.4	Very high	104 Å²	104	40.2 Å²	40.2	39%	0.392	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-52.8	-31.5	-174.8	-178.5	62.2	-173.9	123	-11.4	115.2	D250 N257 Y258	D250-R255 WeakPolarHBondContact OD1-CA 3.39Å; D250-R255 VanDerWaalsContact OD1-CD 3.22Å; D250-R255 WeakPolarHBondContact OD1-CD 3.31Å; D250-R255 WeakPolarHBondContact OD2-CD 3.41Å; R255-N257 VanDerWaalsContact C-N 3.32Å; R255-N257 PolarHBondContact O-N 3.1Å; R255-Y258 PolarHBondContact NH1-O 3.28Å
256	N	95.8	Very high	95.4	Very high	122 Å²	122	36.4 Å²	36.4	65%	0.652	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-80.1	-10.7	-175	-66.8	-27.8	0	0	0	113.9	G254 R272	G254-N256 PolarHBondContact O-N 3.33Å; N256-R272 WeakPolarHBondContact O-CB 3.34Å
257	N	97.1	Very high	95.5	Very high	27 Å²	27	34.5 Å²	34.5	14%	0.144	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-87	-12	-174.2	-72.1	-39.5	0	0	0	113.8	I253 G254 R255 R272 Q273 V278	I253-N257 PolarHBondContact O-ND2 3.38Å; G254-N257 PolarHBondContact O-N 2.82Å; G254-N257 VanDerWaalsContact O-N 3.08Å; R255-N257 VanDerWaalsContact C-N 3.32Å; R255-N257 PolarHBondContact O-N 3.1Å; N257-R272 PolarHBondContact O-N 3.11Å; N257-Q273 WeakPolarHBondContact OD1-CG 3.32Å; N257-V278 HydrophobicContact CB-CG2 4.3Å; N257-V278 WeakPolarHBondContact O-CG2 3.26Å
258	Y	97.4	Very high	95.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	157.1	-171.9	75.2	-71.6	0	0	0	114.3	L249 D250 I253 R255 L260 V269 R272 Q324	L249-Y258 HydrophobicContact CB-CE1 4.33Å; L249-Y258 HydrophobicContact CB-CE2 4.22Å; L249-Y258 WeakPolarHBondContact CB-OH 3.49Å; L249-Y258 HydrophobicContact CD1-CE2 3.81Å; D250-Y258 WeakPolarHBondContact OD1-CE1 3.41Å; D250-Y258 PolarHBondContact OD1-OH 2.81Å; I253-Y258 HydrophobicContact CD1-CD1 3.42Å; I253-Y258 VanDerWaalsContact CD1-CD1 3.42Å; I253-Y258 HydrophobicContact CD1-CD2 4.5Å; I253-Y258 HydrophobicContact CD1-CE1 3.9Å; I253-Y258 HydrophobicContact CD1-CG 3.79Å; I253-Y258 HydrophobicContact CG1-CD1 3.86Å; I253-Y258 HydrophobicContact CG1-CE1 3.93Å; R255-Y258 PolarHBondContact NH1-O 3.28Å; Y258-L260 HydrophobicContact CD2-CB 4.37Å; Y258-L260 HydrophobicContact CE2-CB 4.03Å; Y258-L260 HydrophobicContact CE2-CD1 4.34Å; Y258-V269 HydrophobicContact CD2-CG1 4.23Å; Y258-V269 HydrophobicContact CG-CG1 4.4Å; Y258-R272 PolarHBondContact O-NE 3.14Å; Y258-Q324 HydrophobicContact CE2-CG 4.49Å
259	T	97.1	Very high	95.6	Very high	39 Å²	39	31.5 Å²	31.5	24%	0.239	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130	160.1	-58.1	0	0	0	0	107.8	I261 L270 R272	T259-I261 HydrophobicContact CG2-CD1 3.8Å; T259-L270 PolarHBondContact N-O 2.99Å; T259-L270 PolarHBondContact O-N 3.43Å; T259-R272 PolarHBondContact OG1-NE 2.91Å; T259-R272 PolarHBondContact OG1-NH2 2.99Å; T259-R272 VanDerWaalsContact OG1-NH2 3.09Å
260	L	96.6	Very high	95.6	Very high	21 Å²	21	33.6 Å²	33.6	11%	0.11	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.1	171.7	-161.8	63.9	0	0	0	108.5	L249 Y258 D262 K263 A267 V269 Q324	L249-L260 HydrophobicContact CD1-CD1 4.03Å; Y258-L260 HydrophobicContact CD2-CB 4.37Å; Y258-L260 HydrophobicContact CE2-CB 4.03Å; Y258-L260 HydrophobicContact CE2-CD1 4.34Å; L260-D262 WeakPolarHBondContact CG-O 3.47Å; L260-K263 HydrophobicContact CD2-CG 3.97Å; L260-A267 HydrophobicContact CD1-CB 3.92Å; L260-V269 HydrophobicContact CD1-CG2 3.97Å; L260-Q324 HydrophobicContact CB-CG 4.14Å; L260-Q324 HydrophobicContact CD2-CG 3.36Å; L260-Q324 HydrophobicContact CG-CG 4.36Å
261	I	97.3	Very high	95.7	Very high	32 Å²	32	33.2 Å²	33.2	16%	0.164	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-54.4	-179	-58.2	-56.2	0	0	0	110.1	D91 Y93 T259 A268 L270 Q310	D91-I261 WeakPolarHBondContact CB-O 3.19Å; Y93-I261 HydrophobicContact CD1-CD1 4.4Å; Y93-I261 HydrophobicContact CG-CD1 4.27Å; T259-I261 HydrophobicContact CG2-CD1 3.8Å; I261-A268 HydrophobicContact CB-CB 4.29Å; I261-A268 PolarHBondContact N-O 2.9Å; I261-L270 HydrophobicContact CD1-CB 4.36Å; I261-L270 HydrophobicContact CD1-CD2 4.5Å; I261-L270 HydrophobicContact CG1-CB 4.09Å; I261-Q310 HydrophobicContact CB-CG 4.04Å; I261-Q310 HydrophobicContact CG1-CG 3.88Å; I261-Q310 HydrophobicContact CG2-CG 4.34Å
262	D	95.7	Very high	95.9	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.032	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.6	173	-166.6	17.8	0	0	0	110	A89 L260 A267 A268	A89-D262 HydrophobicContact CB-CB 4.16Å; A89-D262 VanDerWaalsContact CB-OD2 3.24Å; A89-D262 WeakPolarHBondContact CB-OD2 3.37Å; L260-D262 WeakPolarHBondContact CG-O 3.47Å; D262-A267 WeakPolarHBondContact O-CA 3.24Å; D262-A268 HydrophobicContact CB-CB 3.82Å; D262-A268 PolarHBondContact O-N 3.43Å; D262-A268 VanDerWaalsContact O-N 3.09Å
263	K	90.4	Very high	96.1	Very high	102 Å²	102	39 Å²	39	44%	0.443	19%	0.192	S	C	.	.			trans	-100.8	-176.1	-174	-63.1	-166.3	177.3	-162.6	0	111.5	L260 V266 E326	L260-K263 HydrophobicContact CD2-CG 3.97Å; K263-V266 CarbonylContact O-C 3.16Å; K263-E326 IonicContact NZ-OE1 3.13Å; K263-E326 PolarHBondContact NZ-OE1 2.9Å; K263-E326 VanDerWaalsContact NZ-OE1 3.13Å
264	S	91.1	Very high	96.2	Very high	11 Å²	11	43.7 Å²	43.7	8%	0.077	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40	150	179.1	178.6	0	0	0	0	115	K68 T321 I322 D333	K68-S264 PolarHBondContact NZ-O 3.21Å; S264-T321 WeakPolarHBondContact OG-CA 3.34Å; S264-T321 VanDerWaalsContact OG-CG2 3.32Å; S264-T321 WeakPolarHBondContact OG-CG2 3.18Å; S264-I322 WeakPolarHBondContact CB-O 3.47Å; S264-D333 PolarHBondContact OG-OD2 2.96Å
265	P	95.9	Very high	96.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.5	-4.2	-3	36.6	-36.3	0	0	0	113.7	A316 H334 G335 Y336	P265-A316 HydrophobicContact CB-CB 4.33Å; P265-A316 WeakPolarHBondContact O-CB 3.46Å; P265-A316 PolarHBondContact O-N 3.47Å; P265-H334 WeakPolarHBondContact CD-O 3.48Å; P265-H334 WeakPolarHBondContact CG-O 3.47Å; P265-G335 VanDerWaalsContact CG-C 3.5Å; P265-Y336 HydrophobicContact CB-CD1 3.43Å; P265-Y336 VanDerWaalsContact CB-CD1 3.43Å; P265-Y336 HydrophobicContact CB-CD2 4.12Å; P265-Y336 HydrophobicContact CB-CE1 3.21Å; P265-Y336 HydrophobicContact CB-CE2 3.91Å; P265-Y336 HydrophobicContact CB-CG 3.88Å; P265-Y336 VanDerWaalsContact CB-CZ 3.46Å; P265-Y336 HydrophobicContact CG-CD1 3.75Å; P265-Y336 HydrophobicContact CG-CD2 3.62Å; P265-Y336 HydrophobicContact CG-CE1 3.86Å; P265-Y336 HydrophobicContact CG-CE2 3.7Å; P265-Y336 HydrophobicContact CG-CG 3.62Å
266	V	97.9	Very high	96.4	Very high	3 Å²	3	45 Å²	45	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	101.7	168.4	177	0	0	0	0	108.6	F65 I66 K263 I313 L314 V315 G335	F65-V266 HydrophobicContact CE1-CG1 4.49Å; F65-V266 HydrophobicContact CE2-CG2 3.8Å; F65-V266 HydrophobicContact CZ-CB 4.49Å; F65-V266 HydrophobicContact CZ-CG1 3.92Å; F65-V266 HydrophobicContact CZ-CG2 3.8Å; I66-V266 HydrophobicContact CB-CB 4.48Å; I66-V266 HydrophobicContact CG2-CB 3.75Å; I66-V266 HydrophobicContact CG2-CG1 3.51Å; I66-V266 HydrophobicContact CG2-CG2 4Å; K263-V266 CarbonylContact O-C 3.16Å; V266-I313 HydrophobicContact CG1-CG2 3.58Å; V266-L314 CarbonylContact C-O 3.48Å; V266-L314 WeakPolarHBondContact CA-O 3.26Å; V266-V315 HydrophobicContact CG1-CG2 4.31Å; V266-V315 HydrophobicContact CG2-CB 4.46Å; V266-V315 HydrophobicContact CG2-CG1 4.13Å; V266-V315 HydrophobicContact CG2-CG2 4.21Å; V266-G335 WeakPolarHBondContact CG2-O 3.17Å
267	A	97.8	Very high	96.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.2	-175.2	0	0	0	0	0	111.8	L260 D262 L314 I322	L260-A267 HydrophobicContact CD1-CB 3.92Å; D262-A267 WeakPolarHBondContact O-CA 3.24Å; A267-L314 HydrophobicContact CB-CB 4.12Å; A267-L314 HydrophobicContact CB-CD1 4.2Å; A267-L314 PolarHBondContact N-O 2.83Å; A267-L314 PolarHBondContact O-N 3.49Å; A267-I322 HydrophobicContact CB-CB 4.34Å; A267-I322 HydrophobicContact CB-CD1 4.1Å; A267-I322 HydrophobicContact CB-CG2 3.94Å
268	A	98.1	Very high	96.5	Very high	6 Å²	6	43.6 Å²	43.6	5%	0.05	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.7	179.9	0	0	0	0	0	110.4	I261 D262 Q310 I313	I261-A268 HydrophobicContact CB-CB 4.29Å; I261-A268 PolarHBondContact N-O 2.9Å; D262-A268 HydrophobicContact CB-CB 3.82Å; D262-A268 PolarHBondContact O-N 3.43Å; D262-A268 VanDerWaalsContact O-N 3.09Å; A268-Q310 HydrophobicContact CB-CB 4.06Å; A268-Q310 HydrophobicContact CB-CG 3.66Å; A268-I313 HydrophobicContact CB-CD1 3.85Å
269	V	98.3	Very high	96.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.5	-170.6	178.1	0	0	0	0	110.9	Y258 L260 P271 L282 I312 L314	Y258-V269 HydrophobicContact CD2-CG1 4.23Å; Y258-V269 HydrophobicContact CG-CG1 4.4Å; L260-V269 HydrophobicContact CD1-CG2 3.97Å; V269-P271 WeakPolarHBondContact O-CD 3.35Å; V269-L282 HydrophobicContact CG1-CD1 4.3Å; V269-I312 HydrophobicContact CB-CB 4.17Å; V269-I312 PolarHBondContact N-O 3.26Å; V269-I312 PolarHBondContact O-N 3.05Å; V269-L314 HydrophobicContact CG2-CD1 3.62Å; V269-L314 HydrophobicContact CG2-CG 3.95Å
270	L	97.6	Very high	96.5	Very high	45 Å²	45	47.2 Å²	47.2	24%	0.236	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	110	169.7	-177.8	62.1	0	0	0	109.6	Y93 T259 I261 P311	Y93-L270 HydrophobicContact CD1-CD2 4Å; Y93-L270 HydrophobicContact CE1-CD2 3.97Å; T259-L270 PolarHBondContact N-O 2.99Å; T259-L270 PolarHBondContact O-N 3.43Å; I261-L270 HydrophobicContact CD1-CB 4.36Å; I261-L270 HydrophobicContact CD1-CD2 4.5Å; I261-L270 HydrophobicContact CG1-CB 4.09Å; L270-P311 HydrophobicContact CD1-CG 4.15Å
271	P	97.5	Very high	96.5	Very high	25 Å²	25	48.4 Å²	48.4	16%	0.162	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.6	179.4	-23.4	34.9	0	0	0	112.3	V269 Q273 K275 V278 P311 I312	V269-P271 WeakPolarHBondContact O-CD 3.35Å; P271-Q273 WeakPolarHBondContact CB-O 3.49Å; P271-K275 HydrophobicContact CG-CB 4.46Å; P271-K275 HydrophobicContact CG-CG 4.33Å; P271-V278 HydrophobicContact CB-CB 4.24Å; P271-V278 HydrophobicContact CB-CG2 4.01Å; P271-P311 HydrophobicContact CG-CB 4.45Å; P271-I312 HydrophobicContact CG-CD1 3.83Å; P271-I312 HydrophobicContact CG-CG1 4.26Å
272	R	97	Very high	96.5	Very high	133 Å²	133	46.9 Å²	46.9	50%	0.502	22%	0.224	S	C	.	.	S	Bend	trans	-95.2	-13.9	169.1	-67	-179.2	177.9	-163.7	-3.5	113	N256 N257 Y258 T259	N256-R272 WeakPolarHBondContact O-CB 3.34Å; N257-R272 PolarHBondContact O-N 3.11Å; Y258-R272 PolarHBondContact O-NE 3.14Å; T259-R272 PolarHBondContact OG1-NE 2.91Å; T259-R272 PolarHBondContact OG1-NH2 2.99Å; T259-R272 VanDerWaalsContact OG1-NH2 3.09Å
273	Q	94.7	Very high	96.6	Very high	109 Å²	109	51 Å²	51	51%	0.509	24%	0.242	S	C	.	.	S	Bend	trans	-115.5	-173.3	174.4	-62.8	-60.9	-24.7	0	0	109.6	N257 P271 K275 Y277 V278	N257-Q273 WeakPolarHBondContact OD1-CG 3.32Å; P271-Q273 WeakPolarHBondContact CB-O 3.49Å; Q273-K275 PolarHBondContact O-N 3.19Å; Q273-Y277 HydrophobicContact CB-CD1 4.21Å; Q273-V278 HydrophobicContact CB-CG2 4.09Å
274	N	96.4	Very high	96.8	Very high	106 Å²	106	52.9 Å²	52.9	57%	0.567	26%	0.257	S	S	*	.			trans	-49.7	127.7	172.6	-179.5	-78.1	0	0	0	111.5	T276 Y277 V278	N274-T276 VanDerWaalsContact C-N 3.32Å; N274-T276 PolarHBondContact O-N 3.13Å; N274-T276 WeakPolarHBondContact OD1-CB 3.48Å; N274-T276 PolarHBondContact OD1-N 2.8Å; N274-Y277 WeakPolarHBondContact O-CB 3.39Å; N274-Y277 PolarHBondContact O-N 3.03Å; N274-Y277 VanDerWaalsContact O-N 3.13Å; N274-Y277 PolarHBondContact OD1-N 3.2Å; N274-V278 PolarHBondContact O-N 3.25Å; N274-V278 VanDerWaalsContact O-N 3.14Å
275	K	97.2	Very high	97	Very high	77 Å²	77	53.4 Å²	53.4	34%	0.335	26%	0.26	S	S	.	.	H	α-helix	trans	-53.1	-46	-176.6	-177.1	179.7	71.4	161.4	0	112.4	P271 Q273 Y277 V278 Y279 L293 E295 P311 I312	P271-K275 HydrophobicContact CG-CB 4.46Å; P271-K275 HydrophobicContact CG-CG 4.33Å; Q273-K275 PolarHBondContact O-N 3.19Å; K275-Y277 VanDerWaalsContact C-N 3.35Å; K275-Y277 PolarHBondContact O-N 3.44Å; K275-V278 PolarHBondContact O-N 2.65Å; K275-Y279 WeakPolarHBondContact O-CB 3.47Å; K275-Y279 PolarHBondContact O-N 3.46Å; K275-L293 HydrophobicContact CD-CD2 4.06Å; K275-L293 HydrophobicContact CG-CD2 4.15Å; K275-E295 IonicContact NZ-OE1 2.75Å; K275-E295 PolarHBondContact NZ-OE1 3.47Å; K275-E295 IonicContact NZ-OE2 3.37Å; K275-P311 HydrophobicContact CD-CB 3.97Å; K275-I312 HydrophobicContact CG-CD1 4.43Å; K275-I312 HydrophobicContact CG-CG1 4.45Å
276	T	96.9	Very high	97	Very high	82 Å²	82	55.4 Å²	55.4	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-65.7	-38.7	-178.3	-53.6	0	0	0	0	111.7	N274 Y279 N280	N274-T276 VanDerWaalsContact C-N 3.32Å; N274-T276 PolarHBondContact O-N 3.13Å; N274-T276 WeakPolarHBondContact OD1-CB 3.48Å; N274-T276 PolarHBondContact OD1-N 2.8Å; T276-Y279 PolarHBondContact O-N 3.49Å; T276-N280 WeakPolarHBondContact O-CB 3.27Å; T276-N280 VanDerWaalsContact O-CG 3.25Å; T276-N280 PolarHBondContact O-N 3.32Å; T276-N280 PolarHBondContact O-ND2 3.28Å
277	Y	96.9	Very high	96.9	Very high	119 Å²	119	62.9 Å²	62.9	47%	0.467	31%	0.311	S	S	.	.	H	α-helix	trans	-60.9	-50.7	174.8	173.8	-104.7	0	0	0	111.7	Q273 N274 K275 Y279 N280 L281	Q273-Y277 HydrophobicContact CB-CD1 4.21Å; N274-Y277 WeakPolarHBondContact O-CB 3.39Å; N274-Y277 PolarHBondContact O-N 3.03Å; N274-Y277 VanDerWaalsContact O-N 3.13Å; N274-Y277 PolarHBondContact OD1-N 3.2Å; K275-Y277 VanDerWaalsContact C-N 3.35Å; K275-Y277 PolarHBondContact O-N 3.44Å; Y277-Y279 PolarHBondContact O-N 3.23Å; Y277-N280 PolarHBondContact O-N 3.29Å; Y277-L281 HydrophobicContact CD1-CD1 4.17Å; Y277-L281 HydrophobicContact CE1-CD1 3.56Å; Y277-L281 HydrophobicContact CE1-CG 4.42Å; Y277-L281 HydrophobicContact CE2-CD1 4.31Å; Y277-L281 HydrophobicContact CE2-CG 4.44Å; Y277-L281 PolarHBondContact O-N 2.94Å; Y277-L281 VanDerWaalsContact O-N 3.13Å
278	V	98.1	Very high	96.9	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-41.1	179.3	179.6	0	0	0	0	111.6	I253 N257 P271 Q273 N274 K275 N280 L281 L282 I312	I253-V278 HydrophobicContact CD1-CG1 4.33Å; N257-V278 HydrophobicContact CB-CG2 4.3Å; N257-V278 WeakPolarHBondContact O-CG2 3.26Å; P271-V278 HydrophobicContact CB-CB 4.24Å; P271-V278 HydrophobicContact CB-CG2 4.01Å; Q273-V278 HydrophobicContact CB-CG2 4.09Å; N274-V278 PolarHBondContact O-N 3.25Å; N274-V278 VanDerWaalsContact O-N 3.14Å; K275-V278 PolarHBondContact O-N 2.65Å; V278-N280 PolarHBondContact O-N 2.68Å; V278-L281 PolarHBondContact O-N 3.32Å; V278-L282 HydrophobicContact CG1-CD1 3.82Å; V278-L282 HydrophobicContact CG1-CG 4.46Å; V278-L282 WeakPolarHBondContact O-CG 3.43Å; V278-L282 PolarHBondContact O-N 3.04Å; V278-I312 HydrophobicContact CB-CD1 4.27Å; V278-I312 HydrophobicContact CG1-CD1 4.07Å
279	Y	98.1	Very high	96.9	Very high	31 Å²	31	66.7 Å²	66.7	12%	0.122	33%	0.328	C	S	.	.	H	α-helix	trans	-57.8	-46.1	174.9	174.5	-97.9	0	0	0	112.5	K275 T276 Y277 L281 L282 K283 V291 L293 E296	K275-Y279 WeakPolarHBondContact O-CB 3.47Å; K275-Y279 PolarHBondContact O-N 3.46Å; T276-Y279 PolarHBondContact O-N 3.49Å; Y277-Y279 PolarHBondContact O-N 3.23Å; Y279-L281 VanDerWaalsContact C-N 3.34Å; Y279-L281 PolarHBondContact O-N 2.81Å; Y279-L282 PolarHBondContact O-N 2.88Å; Y279-K283 HydrophobicContact CD1-CG 4.23Å; Y279-K283 HydrophobicContact CE1-CG 3.89Å; Y279-K283 HydrophobicContact CE2-CG 4.27Å; Y279-K283 WeakPolarHBondContact O-CG 3.44Å; Y279-K283 PolarHBondContact O-N 3.1Å; Y279-K283 WeakPolarHBondContact OH-CE 3.45Å; Y279-K283 PolarHBondContact OH-NZ 2.76Å; Y279-V291 HydrophobicContact CD2-CG1 3.73Å; Y279-V291 HydrophobicContact CE2-CG1 3.9Å; Y279-L293 HydrophobicContact CD2-CD1 4.47Å; Y279-L293 HydrophobicContact CD2-CD2 3.59Å; Y279-L293 HydrophobicContact CD2-CG 3.64Å; Y279-L293 HydrophobicContact CE2-CB 4.5Å; Y279-L293 HydrophobicContact CE2-CD1 4.3Å; Y279-L293 HydrophobicContact CE2-CD2 4.08Å; Y279-L293 HydrophobicContact CE2-CG 3.56Å; Y279-L293 HydrophobicContact CG-CD2 3.98Å; Y279-L293 HydrophobicContact CG-CG 4.24Å; Y279-E296 PolarHBondContact OH-OE2 3.05Å
280	N	97.1	Very high	96.8	Very high	83 Å²	83	71.7 Å²	71.7	44%	0.444	35%	0.349	S	S	.	.	H	α-helix	trans	-65.4	-36	179.2	-72.5	-19.8	0	0	0	112.4	T276 Y277 V278 N284	T276-N280 WeakPolarHBondContact O-CB 3.27Å; T276-N280 VanDerWaalsContact O-CG 3.25Å; T276-N280 PolarHBondContact O-N 3.32Å; T276-N280 PolarHBondContact O-ND2 3.28Å; Y277-N280 PolarHBondContact O-N 3.29Å; V278-N280 PolarHBondContact O-N 2.68Å; N280-N284 PolarHBondContact O-ND2 2.98Å
281	L	97.1	Very high	96.9	Very high	47 Å²	47	69.7 Å²	69.7	25%	0.246	34%	0.339	C	S	.	.	H	α-helix	trans	-64.5	-45.3	172.8	-67.9	178.1	0	0	0	111.3	I253 Y277 V278 Y279 K283 N284 C285	I253-L281 HydrophobicContact CB-CB 3.98Å; I253-L281 HydrophobicContact CB-CD1 4.24Å; I253-L281 HydrophobicContact CG2-CB 3.61Å; Y277-L281 HydrophobicContact CD1-CD1 4.17Å; Y277-L281 HydrophobicContact CE1-CD1 3.56Å; Y277-L281 HydrophobicContact CE1-CG 4.42Å; Y277-L281 HydrophobicContact CE2-CD1 4.31Å; Y277-L281 HydrophobicContact CE2-CG 4.44Å; Y277-L281 PolarHBondContact O-N 2.94Å; Y277-L281 VanDerWaalsContact O-N 3.13Å; V278-L281 PolarHBondContact O-N 3.32Å; Y279-L281 VanDerWaalsContact C-N 3.34Å; Y279-L281 PolarHBondContact O-N 2.81Å; L281-K283 PolarHBondContact O-N 3.17Å; L281-N284 PolarHBondContact O-N 2.91Å; L281-C285 PolarHBondContact O-N 2.69Å
282	L	97.5	Very high	96.9	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-41.4	179.9	-75.4	163.3	0	0	0	112.2	L249 I253 V269 V278 Y279 N284 C285 M289 V291 I312 L314	L249-L282 HydrophobicContact CD2-CD2 3.96Å; I253-L282 HydrophobicContact CD1-CD1 4.47Å; I253-L282 HydrophobicContact CD1-CD2 3.73Å; I253-L282 HydrophobicContact CD1-CG 4.01Å; I253-L282 HydrophobicContact CG1-CD2 4.46Å; I253-L282 HydrophobicContact CG2-CD2 3.96Å; I253-L282 HydrophobicContact CG2-CG 4.12Å; V269-L282 HydrophobicContact CG1-CD1 4.3Å; V278-L282 HydrophobicContact CG1-CD1 3.82Å; V278-L282 HydrophobicContact CG1-CG 4.46Å; V278-L282 WeakPolarHBondContact O-CG 3.43Å; V278-L282 PolarHBondContact O-N 3.04Å; Y279-L282 PolarHBondContact O-N 2.88Å; L282-N284 PolarHBondContact O-N 3Å; L282-C285 WeakPolarHBondContact O-CB 3.2Å; L282-C285 PolarHBondContact O-N 3.12Å; L282-C285 VanDerWaalsContact O-N 3.08Å; L282-M289 HydrophobicContact CD2-CE 4.48Å; L282-V291 HydrophobicContact CB-CG1 3.87Å; L282-V291 HydrophobicContact CB-CG2 3.96Å; L282-I312 HydrophobicContact CD1-CD1 4.05Å; L282-I312 HydrophobicContact CD1-CG2 3.79Å; L282-L314 HydrophobicContact CB-CD2 4.36Å; L282-L314 HydrophobicContact CD1-CD2 4.16Å; L282-L314 HydrophobicContact CD2-CD1 3.89Å; L282-L314 HydrophobicContact CD2-CD2 4.03Å; L282-L314 HydrophobicContact CG-CD2 4.41Å
283	K	96.6	Very high	97	Very high	92 Å²	92	64.9 Å²	64.9	40%	0.4	32%	0.319	S	S	.	.	H	α-helix	trans	-58.4	-28.9	177.5	-81.8	-73.1	-170.7	-173.7	0	113.4	Y279 L281 V291	Y279-K283 HydrophobicContact CD1-CG 4.23Å; Y279-K283 HydrophobicContact CE1-CG 3.89Å; Y279-K283 HydrophobicContact CE2-CG 4.27Å; Y279-K283 WeakPolarHBondContact O-CG 3.44Å; Y279-K283 PolarHBondContact O-N 3.1Å; Y279-K283 WeakPolarHBondContact OH-CE 3.45Å; Y279-K283 PolarHBondContact OH-NZ 2.76Å; L281-K283 PolarHBondContact O-N 3.17Å; K283-V291 HydrophobicContact CD-CB 3.89Å; K283-V291 HydrophobicContact CD-CG2 4.3Å; K283-V291 WeakPolarHBondContact CE-O 3.46Å; K283-V291 HydrophobicContact CG-CB 4.19Å; K283-V291 HydrophobicContact CG-CG1 4.48Å; K283-V291 HydrophobicContact CG-CG2 4.49Å; K283-V291 PolarHBondContact NZ-O 3.46Å
284	N	94.9	Very high	97.1	Very high	141 Å²	141	61.9 Å²	61.9	75%	0.754	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	4.6	-179.9	-63.3	-54	0	0	0	113.2	N280 L281 L282	N280-N284 PolarHBondContact O-ND2 2.98Å; L281-N284 PolarHBondContact O-N 2.91Å; L282-N284 PolarHBondContact O-N 3Å
285	C	95.1	Very high	97.2	Very high	23 Å²	23	61 Å²	61	16%	0.155	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-44.6	-175.5	169.2	0	0	0	0	112.7	C252 I253 L281 L282 M289	C252-C285 HydrophobicContact CB-CB 3.49Å; C252-C285 VanDerWaalsContact CB-CB 3.49Å; C252-C285 WeakPolarHBondContact CB-SG 3.37Å; C252-C285 WeakPolarHBondContact SG-CB 3.41Å; C252-C285 CovalentContact SG-SG 2.05Å; C252-C285 PolarHBondContact SG-SG 3.38Å; I253-C285 HydrophobicContact CG2-CB 4.49Å; L281-C285 PolarHBondContact O-N 2.69Å; L282-C285 WeakPolarHBondContact O-CB 3.2Å; L282-C285 PolarHBondContact O-N 3.12Å; L282-C285 VanDerWaalsContact O-N 3.08Å; C285-M289 HydrophobicContact CB-CE 4.22Å
286	N	96.2	Very high	97.2	Very high	42 Å²	42	61.6 Å²	61.6	23%	0.225	30%	0.301	C	S	.	.			trans	-162.7	139.2	-176.5	-161	-75.4	0	0	0	112.1	I247 H288	I247-N286 HydrophobicContact CD1-CB 4.05Å; I247-N286 HydrophobicContact CG1-CB 4.2Å; I247-N286 HydrophobicContact CG2-CB 3.88Å; N286-H288 VanDerWaalsContact C-N 3.3Å; N286-H288 PolarHBondContact O-N 2.97Å; N286-H288 WeakPolarHBondContact OD1-CB 3.39Å; N286-H288 PolarHBondContact OD1-N 3.35Å
287	D	96.4	Very high	97.3	Very high	159 Å²	159	57.8 Å²	57.8	85%	0.85	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.8	179.9	-64.6	-32.9	0	0	0	113.7	M289	D287-M289 VanDerWaalsContact C-N 3.27Å; D287-M289 PolarHBondContact O-N 3.35Å
288	H	97.6	Very high	97.3	Very high	75 Å²	75	53.9 Å²	53.9	35%	0.347	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	23	178.8	-66.3	-68.6	0	0	0	113.8	N286 D317 W320	N286-H288 VanDerWaalsContact C-N 3.3Å; N286-H288 PolarHBondContact O-N 2.97Å; N286-H288 WeakPolarHBondContact OD1-CB 3.39Å; N286-H288 PolarHBondContact OD1-N 3.35Å; H288-D317 WeakPolarHBondContact CA-OD2 3.33Å; H288-D317 HydrophobicContact CB-CB 4.28Å; H288-D317 IonicContact CG-OD2 3.74Å; H288-D317 IonicContact ND1-OD2 3.02Å; H288-D317 PolarHBondContact ND1-OD2 3.26Å; H288-D317 PolarHBondContact O-N 3.01Å; H288-W320 HydrophobicContact CB-CD2 3.58Å; H288-W320 VanDerWaalsContact CB-CE2 3.47Å; H288-W320 HydrophobicContact CB-CE3 4.16Å; H288-W320 HydrophobicContact CB-CG 3.81Å; H288-W320 HydrophobicContact CB-CZ2 4Å; H288-W320 AromaticContact CD2-CE2 3.38Å; H288-W320 AromaticContact CD2-CH2 3.57Å; H288-W320 AromaticContact CD2-CZ2 2.99Å; H288-W320 WeakPolarHBondContact CD2-CZ2 3.23Å; H288-W320 AromaticContact CD2-NE1 3.76Å; H288-W320 AromaticContact CE1-NE1 3.99Å; H288-W320 AromaticContact CG-CD2 3.98Å; H288-W320 AromaticContact CG-CE2 3.3Å; H288-W320 AromaticContact CG-CZ2 3.49Å; H288-W320 VanDerWaalsContact CG-CZ2 3.49Å; H288-W320 AromaticContact CG-NE1 3.3Å; H288-W320 VanDerWaalsContact CG-NE1 3.3Å; H288-W320 AromaticContact ND1-CE2 3.94Å; H288-W320 AromaticContact ND1-NE1 3.49Å; H288-W320 PolarHBondContact ND1-NE1 3.24Å; H288-W320 AromaticContact NE2-CZ2 3.5Å
289	M	96.9	Very high	97.3	Very high	11 Å²	11	59.4 Å²	59.4	5%	0.054	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	126.1	176.5	174	-178.3	71.6	0	0	110.1	I247 L282 C285 D287 V291 L314 V315 I322	I247-M289 HydrophobicContact CD1-CB 3.56Å; I247-M289 HydrophobicContact CD1-CG 4.48Å; I247-M289 HydrophobicContact CD1-SD 4.43Å; I247-M289 HydrophobicContact CG2-CE 4.28Å; I247-M289 HydrophobicContact CG2-SD 4.2Å; L282-M289 HydrophobicContact CD2-CE 4.48Å; C285-M289 HydrophobicContact CB-CE 4.22Å; D287-M289 VanDerWaalsContact C-N 3.27Å; D287-M289 PolarHBondContact O-N 3.35Å; M289-V291 HydrophobicContact CE-CG2 4.07Å; M289-L314 HydrophobicContact CE-CD1 4.39Å; M289-L314 HydrophobicContact CE-CD2 4.12Å; M289-L314 HydrophobicContact CG-CB 4.08Å; M289-L314 HydrophobicContact CG-CD2 4.49Å; M289-L314 HydrophobicContact SD-CB 3.72Å; M289-L314 HydrophobicContact SD-CD1 3.74Å; M289-L314 HydrophobicContact SD-CD2 3.93Å; M289-L314 HydrophobicContact SD-CG 4.01Å; M289-V315 CarbonylContact C-O 3.56Å; M289-V315 WeakPolarHBondContact CA-O 3.38Å; M289-I322 HydrophobicContact CG-CD1 4.09Å; M289-I322 HydrophobicContact SD-CD1 3.68Å; M289-I322 HydrophobicContact SD-CG1 4.02Å
290	K	97.9	Very high	97.3	Very high	106 Å²	106	63.5 Å²	63.5	46%	0.461	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.7	171.3	-62.1	-178.7	-173.3	172.5	0	109.1	Y292 L314 V315	K290-Y292 HydrophobicContact CB-CD2 4.39Å; K290-Y292 HydrophobicContact CB-CE2 3.64Å; K290-Y292 HydrophobicContact CD-CE2 4.48Å; K290-Y292 WeakPolarHBondContact CD-OH 3.01Å; K290-L314 CarbonylContact O-C 3.5Å; K290-L314 WeakPolarHBondContact O-CA 3.02Å; K290-V315 HydrophobicContact CB-CB 4.49Å; K290-V315 PolarHBondContact N-O 3.36Å; K290-V315 PolarHBondContact O-N 3.3Å
291	V	98.4	Very high	97.3	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124	174.8	-172.4	0	0	0	0	108.4	Y279 L282 K283 M289 I312 L314	Y279-V291 HydrophobicContact CD2-CG1 3.73Å; Y279-V291 HydrophobicContact CE2-CG1 3.9Å; L282-V291 HydrophobicContact CB-CG1 3.87Å; L282-V291 HydrophobicContact CB-CG2 3.96Å; K283-V291 HydrophobicContact CD-CB 3.89Å; K283-V291 HydrophobicContact CD-CG2 4.3Å; K283-V291 WeakPolarHBondContact CE-O 3.46Å; K283-V291 HydrophobicContact CG-CB 4.19Å; K283-V291 HydrophobicContact CG-CG1 4.48Å; K283-V291 HydrophobicContact CG-CG2 4.49Å; K283-V291 PolarHBondContact NZ-O 3.46Å; M289-V291 HydrophobicContact CE-CG2 4.07Å; V291-I312 HydrophobicContact CG1-CG2 3.7Å; V291-L314 HydrophobicContact CB-CD2 4.11Å; V291-L314 HydrophobicContact CG1-CD2 3.8Å; V291-L314 HydrophobicContact CG2-CD2 3.78Å
292	Y	98.5	Very high	97.4	Very high	36 Å²	36	59.9 Å²	59.9	14%	0.141	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.1	174.8	-62.3	-76	0	0	0	109.7	K290 I297 P298 I312 I313 V315	K290-Y292 HydrophobicContact CB-CD2 4.39Å; K290-Y292 HydrophobicContact CB-CE2 3.64Å; K290-Y292 HydrophobicContact CD-CE2 4.48Å; K290-Y292 WeakPolarHBondContact CD-OH 3.01Å; Y292-I297 HydrophobicContact CG-CG1 4.33Å; Y292-P298 HydrophobicContact CE1-CG 3.86Å; Y292-I312 WeakPolarHBondContact O-CA 3.43Å; Y292-I313 PolarHBondContact N-O 2.88Å; Y292-I313 PolarHBondContact O-N 2.86Å; Y292-V315 HydrophobicContact CD2-CG2 4Å; Y292-V315 HydrophobicContact CE2-CB 4.33Å; Y292-V315 HydrophobicContact CE2-CG2 3.91Å
293	L	98.6	Very high	97.4	Very high	22 Å²	22	60.1 Å²	60.1	12%	0.115	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	147.7	151.1	-65.7	172.8	0	0	0	107.7	K275 Y279 E295 E296 I297 I312	K275-L293 HydrophobicContact CD-CD2 4.06Å; K275-L293 HydrophobicContact CG-CD2 4.15Å; Y279-L293 HydrophobicContact CD2-CD1 4.47Å; Y279-L293 HydrophobicContact CD2-CD2 3.59Å; Y279-L293 HydrophobicContact CD2-CG 3.64Å; Y279-L293 HydrophobicContact CE2-CB 4.5Å; Y279-L293 HydrophobicContact CE2-CD1 4.3Å; Y279-L293 HydrophobicContact CE2-CD2 4.08Å; Y279-L293 HydrophobicContact CE2-CG 3.56Å; Y279-L293 HydrophobicContact CG-CD2 3.98Å; Y279-L293 HydrophobicContact CG-CG 4.24Å; L293-E295 HydrophobicContact CB-CG 4.05Å; L293-E295 PolarHBondContact O-N 3.21Å; L293-E296 HydrophobicContact CB-CB 4.35Å; L293-E296 HydrophobicContact CB-CG 4.04Å; L293-E296 WeakPolarHBondContact O-CA 3.41Å; L293-E296 WeakPolarHBondContact O-CB 3.46Å; L293-E296 PolarHBondContact O-N 3.39Å; L293-I297 PolarHBondContact O-N 3.46Å; L293-I312 HydrophobicContact CD2-CG1 4.19Å
294	K	97.7	Very high	97.4	Very high	45 Å²	45	59.1 Å²	59.1	20%	0.196	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-48.4	-46	178.6	179.7	178	-178.3	165.1	0	112.5	E296 I297 R304 N306 I309 P311	K294-E296 PolarHBondContact O-N 2.83Å; K294-I297 WeakPolarHBondContact O-CG1 3.38Å; K294-I297 PolarHBondContact O-N 3.31Å; K294-R304 WeakPolarHBondContact CE-O 3.24Å; K294-R304 WeakPolarHBondContact O-CG 3.32Å; K294-N306 WeakPolarHBondContact CE-O 3.28Å; K294-N306 PolarHBondContact NZ-O 2.83Å; K294-I309 HydrophobicContact CD-CB 4.45Å; K294-I309 HydrophobicContact CD-CG2 4.32Å; K294-I309 HydrophobicContact CG-CG2 4.15Å; K294-I309 PolarHBondContact NZ-O 2.99Å; K294-P311 PolarHBondContact N-O 2.85Å
295	E	97.2	Very high	97.5	Very high	88 Å²	88	58.3 Å²	58.3	41%	0.411	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-66.6	-8.6	177.2	58.5	-89.9	-153.3	0	0	115.2	K275 L293 R304	K275-E295 IonicContact NZ-OE1 2.75Å; K275-E295 PolarHBondContact NZ-OE1 3.47Å; K275-E295 IonicContact NZ-OE2 3.37Å; L293-E295 HydrophobicContact CB-CG 4.05Å; L293-E295 PolarHBondContact O-N 3.21Å; E295-R304 PolarHBondContact O-NH1 3.21Å; E295-R304 PolarHBondContact O-NH2 2.95Å; E295-R304 VanDerWaalsContact O-NH2 3.16Å
296	E	97.7	Very high	97.6	Very high	90 Å²	90	57.8 Å²	57.8	42%	0.421	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-111.4	-2.5	-179.9	-62.7	177.4	159.5	0	0	112.7	Y279 L293 K294	Y279-E296 PolarHBondContact OH-OE2 3.05Å; L293-E296 HydrophobicContact CB-CB 4.35Å; L293-E296 HydrophobicContact CB-CG 4.04Å; L293-E296 WeakPolarHBondContact O-CA 3.41Å; L293-E296 WeakPolarHBondContact O-CB 3.46Å; L293-E296 PolarHBondContact O-N 3.39Å; K294-E296 PolarHBondContact O-N 2.83Å
297	I	98.3	Very high	97.6	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	28%	0.278	C	S	.	.	S	Bend	trans	-61.3	127.5	-179.4	-65.6	172.6	0	0	0	109.5	Y292 L293 K294 E299 F301 Y303 R304 I309 I313	Y292-I297 HydrophobicContact CG-CG1 4.33Å; L293-I297 PolarHBondContact O-N 3.46Å; K294-I297 WeakPolarHBondContact O-CG1 3.38Å; K294-I297 PolarHBondContact O-N 3.31Å; I297-E299 PolarHBondContact O-N 3.33Å; I297-F301 HydrophobicContact CG2-CB 4.22Å; I297-F301 HydrophobicContact CG2-CD2 3.86Å; I297-Y303 HydrophobicContact CD1-CD1 4.19Å; I297-Y303 WeakPolarHBondContact CD1-O 3.41Å; I297-R304 PolarHBondContact O-NE 3.47Å; I297-R304 PolarHBondContact O-NH2 2.93Å; I297-I309 HydrophobicContact CD1-CG2 4.23Å; I297-I313 HydrophobicContact CD1-CB 4.11Å; I297-I313 HydrophobicContact CD1-CG1 3.68Å
298	P	98.1	Very high	97.7	Very high	36 Å²	36	53 Å²	53	23%	0.234	24%	0.238	C	C	.	.			trans	-52.6	134.4	-176.4	-29	34.2	0	0	0	113.6	Y292 R300 F301	Y292-P298 HydrophobicContact CE1-CG 3.86Å; P298-R300 HydrophobicContact CB-CG 4.23Å; P298-R300 PolarHBondContact O-N 3Å; P298-R300 VanDerWaalsContact O-N 3.12Å; P298-F301 HydrophobicContact CB-CD2 4.07Å; P298-F301 HydrophobicContact CB-CE2 4.34Å; P298-F301 HydrophobicContact CG-CD2 4.07Å; P298-F301 HydrophobicContact CG-CE2 3.98Å; P298-F301 WeakPolarHBondContact O-CB 3.28Å; P298-F301 PolarHBondContact O-N 2.79Å
299	E	97.7	Very high	97.7	Very high	116 Å²	116	49.5 Å²	49.5	54%	0.542	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-53.7	-37.8	-176.4	-172.7	60.9	-156.4	0	0	113.1	I297 F301 H302	I297-E299 PolarHBondContact O-N 3.33Å; E299-F301 PolarHBondContact O-N 3.34Å; E299-H302 PolarHBondContact O-N 3.43Å
300	R	97.4	Very high	97.8	Very high	117 Å²	117	49.4 Å²	49.4	44%	0.442	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-59.4	-17.1	179.5	70.8	172.4	-178.7	91.8	-1	114.7	P298 D337	P298-R300 HydrophobicContact CB-CG 4.23Å; P298-R300 PolarHBondContact O-N 3Å; P298-R300 VanDerWaalsContact O-N 3.12Å; R300-D337 IonicContact CZ-OD1 3.32Å; R300-D337 IonicContact CZ-OD2 3.89Å; R300-D337 IonicContact NH1-OD1 3.15Å; R300-D337 PolarHBondContact NH1-OD1 3.29Å; R300-D337 IonicContact NH1-OD2 2.71Å; R300-D337 VanDerWaalsContact NH2-CG 3.27Å; R300-D337 IonicContact NH2-OD1 3.07Å; R300-D337 PolarHBondContact NH2-OD1 2.92Å; R300-D337 VanDerWaalsContact NH2-OD1 3.16Å; R300-D337 IonicContact NH2-OD2 2.81Å; R300-D337 PolarHBondContact NH2-OD2 2.87Å
301	F	98.3	Very high	97.8	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.009	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-81.9	-20.2	176.9	-71.5	-36	0	0	0	112.7	F65 I297 P298 E299 Y303 D337	F65-F301 HydrophobicContact CB-CB 4.07Å; F65-F301 HydrophobicContact CB-CD1 3.64Å; F65-F301 HydrophobicContact CB-CE1 4.33Å; F65-F301 HydrophobicContact CB-CG 4.11Å; F65-F301 HydrophobicContact CD1-CB 3.72Å; F65-F301 AromaticContact CD1-CD1 3.99Å; F65-F301 HydrophobicContact CD1-CD1 3.99Å; F65-F301 HydrophobicContact CD1-CD2 4.12Å; F65-F301 AromaticContact CD1-CG 3.73Å; F65-F301 HydrophobicContact CD1-CG 3.73Å; F65-F301 AromaticContact CD2-CD1 3.69Å; F65-F301 HydrophobicContact CD2-CD1 3.69Å; F65-F301 AromaticContact CD2-CE1 3.59Å; F65-F301 HydrophobicContact CD2-CE1 3.59Å; F65-F301 HydrophobicContact CD2-CG 4.21Å; F65-F301 HydrophobicContact CD2-CZ 4.06Å; F65-F301 HydrophobicContact CE1-CB 4.4Å; F65-F301 HydrophobicContact CE1-CD2 4.06Å; F65-F301 HydrophobicContact CE1-CE2 4.43Å; F65-F301 HydrophobicContact CE1-CG 4.15Å; F65-F301 HydrophobicContact CE2-CD1 4.33Å; F65-F301 AromaticContact CE2-CE1 3.98Å; F65-F301 HydrophobicContact CE2-CE1 3.98Å; F65-F301 HydrophobicContact CE2-CE2 4.24Å; F65-F301 AromaticContact CE2-CZ 3.95Å; F65-F301 HydrophobicContact CE2-CZ 3.95Å; F65-F301 HydrophobicContact CG-CB 4Å; F65-F301 AromaticContact CG-CD1 3.48Å; F65-F301 HydrophobicContact CG-CD1 3.48Å; F65-F301 VanDerWaalsContact CG-CD1 3.48Å; F65-F301 HydrophobicContact CG-CD2 4.37Å; F65-F301 AromaticContact CG-CE1 3.91Å; F65-F301 HydrophobicContact CG-CE1 3.91Å; F65-F301 AromaticContact CG-CG 3.74Å; F65-F301 HydrophobicContact CG-CG 3.74Å; F65-F301 HydrophobicContact CZ-CD2 4.27Å; F65-F301 HydrophobicContact CZ-CE2 4.17Å; F65-F301 HydrophobicContact CZ-CZ 4.35Å; I297-F301 HydrophobicContact CG2-CB 4.22Å; I297-F301 HydrophobicContact CG2-CD2 3.86Å; P298-F301 HydrophobicContact CB-CD2 4.07Å; P298-F301 HydrophobicContact CB-CE2 4.34Å; P298-F301 HydrophobicContact CG-CD2 4.07Å; P298-F301 HydrophobicContact CG-CE2 3.98Å; P298-F301 WeakPolarHBondContact O-CB 3.28Å; P298-F301 PolarHBondContact O-N 2.79Å; E299-F301 PolarHBondContact O-N 3.34Å; F301-Y303 PolarHBondContact O-N 3.17Å; F301-D337 WeakPolarHBondContact CE1-OD1 3.48Å; F301-D337 HydrophobicContact CZ-CB 4.45Å
302	H	98.3	Very high	97.8	Very high	52 Å²	52	46.1 Å²	46.1	24%	0.241	21%	0.211	C	C	.	.			trans	48.4	46.2	-173.3	-58.5	-71.9	0	0	0	111.6	Y81 E83 E299	Y81-H302 HydrophobicContact CD1-CB 3.8Å; Y81-H302 HydrophobicContact CD2-CB 3.54Å; Y81-H302 AromaticContact CD2-CD2 3.87Å; Y81-H302 AromaticContact CD2-CG 3.49Å; Y81-H302 VanDerWaalsContact CD2-CG 3.49Å; Y81-H302 AromaticContact CD2-ND1 3.95Å; Y81-H302 HydrophobicContact CE1-CB 4.32Å; Y81-H302 AromaticContact CE1-CD2 3.61Å; Y81-H302 HydrophobicContact CE2-CB 4.06Å; Y81-H302 AromaticContact CE2-CD2 3.42Å; Y81-H302 VanDerWaalsContact CE2-CD2 3.42Å; Y81-H302 WeakPolarHBondContact CE2-CD2 3.41Å; Y81-H302 AromaticContact CE2-CE1 3.94Å; Y81-H302 AromaticContact CE2-CG 3.49Å; Y81-H302 VanDerWaalsContact CE2-CG 3.49Å; Y81-H302 AromaticContact CE2-ND1 3.82Å; Y81-H302 AromaticContact CE2-NE2 3.73Å; Y81-H302 HydrophobicContact CG-CB 3.41Å; Y81-H302 VanDerWaalsContact CG-CB 3.41Å; Y81-H302 AromaticContact CG-CG 3.82Å; Y81-H302 AromaticContact CZ-CD2 3.3Å; Y81-H302 AromaticContact CZ-CG 3.84Å; Y81-H302 AromaticContact CZ-NE2 3.71Å; E83-H302 WeakPolarHBondContact CB-O 3.46Å; E83-H302 WeakPolarHBondContact CG-O 3Å; E299-H302 PolarHBondContact O-N 3.43Å
303	Y	98.3	Very high	97.8	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.02	21%	0.205	C	C	.	.			trans	-135.6	50.5	-170	-161.4	-98.4	0	0	0	111.6	F65 I66 E82 E83 V88 I297 F301 I309 I313	F65-Y303 HydrophobicContact CD1-CD1 4.12Å; F65-Y303 HydrophobicContact CD1-CD2 4.16Å; F65-Y303 AromaticContact CD1-CG 3.76Å; F65-Y303 HydrophobicContact CD1-CG 3.76Å; F65-Y303 AromaticContact CE1-CD1 3.84Å; F65-Y303 HydrophobicContact CE1-CD1 3.84Å; F65-Y303 HydrophobicContact CE1-CE1 4.37Å; F65-Y303 AromaticContact CE1-CG 3.98Å; F65-Y303 HydrophobicContact CE1-CG 3.98Å; F65-Y303 WeakPolarHBondContact O-CD2 3.43Å; I66-Y303 HydrophobicContact CG2-CE2 4.42Å; E82-Y303 HydrophobicContact CB-CD2 3.83Å; E82-Y303 HydrophobicContact CB-CE2 3.95Å; E82-Y303 HydrophobicContact CG-CD2 4.44Å; E82-Y303 HydrophobicContact CG-CE2 4.42Å; E83-Y303 PolarHBondContact OE2-N 2.89Å; V88-Y303 HydrophobicContact CB-CE2 3.68Å; V88-Y303 HydrophobicContact CG1-CE2 4.25Å; V88-Y303 VanDerWaalsContact O-CE2 3.32Å; V88-Y303 WeakPolarHBondContact O-CE2 3.43Å; V88-Y303 PolarHBondContact O-OH 2.94Å; I297-Y303 HydrophobicContact CD1-CD1 4.19Å; I297-Y303 WeakPolarHBondContact CD1-O 3.41Å; F301-Y303 PolarHBondContact O-N 3.17Å; Y303-I309 VanDerWaalsContact C-CD1 3.42Å; Y303-I309 HydrophobicContact CD1-CD1 3.95Å; Y303-I309 HydrophobicContact CD1-CG1 4.39Å; Y303-I309 HydrophobicContact CD1-CG2 4.13Å; Y303-I309 HydrophobicContact CD2-CD1 4.11Å; Y303-I309 HydrophobicContact CE1-CD1 4.11Å; Y303-I309 HydrophobicContact CE1-CG1 4.05Å; Y303-I309 HydrophobicContact CE1-CG2 3.82Å; Y303-I309 HydrophobicContact CE2-CD1 4.26Å; Y303-I309 HydrophobicContact CE2-CG1 4.38Å; Y303-I309 HydrophobicContact CG-CD1 3.95Å; Y303-I313 HydrophobicContact CE1-CD1 4.33Å; Y303-I313 HydrophobicContact CE1-CG1 4.35Å
304	R	96.6	Very high	97.8	Very high	71 Å²	71	43.5 Å²	43.5	27%	0.268	20%	0.199	S	C	.	.	S	Bend	trans	-129.9	-35.9	-178.2	-179.6	-176.8	-62.2	-152.7	0.7	112.4	E83 K294 E295 I297 N306	E83-R304 PolarHBondContact OE2-N 3.13Å; K294-R304 WeakPolarHBondContact CE-O 3.24Å; K294-R304 WeakPolarHBondContact O-CG 3.32Å; E295-R304 PolarHBondContact O-NH1 3.21Å; E295-R304 PolarHBondContact O-NH2 2.95Å; E295-R304 VanDerWaalsContact O-NH2 3.16Å; I297-R304 PolarHBondContact O-NE 3.47Å; I297-R304 PolarHBondContact O-NH2 2.93Å; R304-N306 PolarHBondContact O-N 2.85Å
305	H	96.8	Very high	97.8	Very high	124 Å²	124	41.7 Å²	41.7	57%	0.574	19%	0.192	S	C	*	.	S	Bend	trans	-97	44	-162.9	-62.2	-68.7	0	0	0	114.3	E83	E83-H305 HydrophobicContact CB-CB 4.42Å; E83-H305 HydrophobicContact CG-CB 4.31Å; E83-H305 IonicContact OE1-CD2 2.73Å; E83-H305 WeakPolarHBondContact OE2-CB 3.45Å; E83-H305 IonicContact OE2-CD2 3.31Å; E83-H305 PolarHBondContact OE2-CD2 3.14Å; E83-H305 IonicContact OE2-CG 3.65Å; E83-H305 PolarHBondContact OE2-N 2.7Å
306	N	97.6	Very high	97.9	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.07	17%	0.174	C	C	.	.			trans	-141.6	138.8	171.7	-162.7	-71.8	0	0	0	111.8	E83 V88 E114 K294 R304 R308 I309	E83-N306 HydrophobicContact CB-CB 4.25Å; E83-N306 WeakPolarHBondContact O-CB 3.36Å; E83-N306 PolarHBondContact O-ND2 2.02Å; V88-N306 HydrophobicContact CG1-CB 4.16Å; E114-N306 PolarHBondContact OE2-ND2 3.3Å; K294-N306 WeakPolarHBondContact CE-O 3.28Å; K294-N306 PolarHBondContact NZ-O 2.83Å; R304-N306 PolarHBondContact O-N 2.85Å; N306-R308 PolarHBondContact O-N 2.92Å; N306-R308 WeakPolarHBondContact OD1-CB 3.33Å; N306-R308 WeakPolarHBondContact OD1-CG 3.22Å; N306-R308 PolarHBondContact OD1-N 3.18Å; N306-I309 HydrophobicContact CB-CD1 4.08Å; N306-I309 HydrophobicContact CB-CG1 4.16Å; N306-I309 WeakPolarHBondContact O-CB 3.49Å; N306-I309 PolarHBondContact O-N 3.12Å; N306-I309 VanDerWaalsContact O-N 3.16Å
307	K	95.9	Very high	97.9	Very high	95 Å²	95	36.2 Å²	36.2	41%	0.413	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.7	-178.5	60.4	171.3	179.6	144.8	0	114.3	D94 D96 I309	D94-K307 VanDerWaalsContact CG-NZ 3.35Å; D94-K307 IonicContact OD1-NZ 3.74Å; D94-K307 PolarHBondContact OD1-NZ 3.4Å; D94-K307 WeakPolarHBondContact OD2-CE 3.39Å; D94-K307 IonicContact OD2-NZ 3.79Å; D94-K307 PolarHBondContact OD2-NZ 3.41Å; D96-K307 VanDerWaalsContact OD2-CD 3.31Å; D96-K307 WeakPolarHBondContact OD2-CD 3.4Å; D96-K307 IonicContact OD2-NZ 2.61Å; D96-K307 PolarHBondContact OD2-NZ 2.94Å; K307-I309 PolarHBondContact O-N 2.79Å
308	R	97.3	Very high	97.9	Very high	4 Å²	4	40 Å²	40	2%	0.015	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-17.5	178.1	-59.3	166.5	-172.9	-174.7	4.4	112.8	G86 V88 F110 W111 E114 N306 Q310	G86-R308 WeakPolarHBondContact O-CD 3.37Å; G86-R308 PolarHBondContact O-NH1 3Å; V88-R308 HydrophobicContact CG2-CB 3.73Å; F110-R308 PolarHBondContact O-NH2 2.95Å; W111-R308 HydrophobicContact CZ3-CG 4.08Å; W111-R308 PolarHBondContact O-NH1 2.98Å; E114-R308 IonicContact OE1-CZ 3.38Å; E114-R308 IonicContact OE1-NE 3.48Å; E114-R308 PolarHBondContact OE1-NE 3.16Å; E114-R308 IonicContact OE1-NH2 3.44Å; E114-R308 PolarHBondContact OE1-NH2 3.02Å; N306-R308 PolarHBondContact O-N 2.92Å; N306-R308 WeakPolarHBondContact OD1-CB 3.33Å; N306-R308 WeakPolarHBondContact OD1-CG 3.22Å; N306-R308 PolarHBondContact OD1-N 3.18Å; R308-Q310 PolarHBondContact O-N 2.89Å; R308-Q310 PolarHBondContact O-NE2 2.88Å
309	I	98.2	Very high	97.8	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.015	18%	0.178	C	C	.	.	S	Bend	trans	-74	120.6	172.1	-57.8	174.2	0	0	0	108.5	E83 V88 K294 I297 Y303 N306 K307 I313	E83-I309 HydrophobicContact CB-CD1 4.29Å; V88-I309 HydrophobicContact CB-CG1 4.02Å; V88-I309 HydrophobicContact CG1-CD1 4.18Å; V88-I309 HydrophobicContact CG1-CG1 3.75Å; V88-I309 HydrophobicContact CG2-CG1 4.21Å; K294-I309 HydrophobicContact CD-CB 4.45Å; K294-I309 HydrophobicContact CD-CG2 4.32Å; K294-I309 HydrophobicContact CG-CG2 4.15Å; K294-I309 PolarHBondContact NZ-O 2.99Å; I297-I309 HydrophobicContact CD1-CG2 4.23Å; Y303-I309 VanDerWaalsContact C-CD1 3.42Å; Y303-I309 HydrophobicContact CD1-CD1 3.95Å; Y303-I309 HydrophobicContact CD1-CG1 4.39Å; Y303-I309 HydrophobicContact CD1-CG2 4.13Å; Y303-I309 HydrophobicContact CD2-CD1 4.11Å; Y303-I309 HydrophobicContact CE1-CD1 4.11Å; Y303-I309 HydrophobicContact CE1-CG1 4.05Å; Y303-I309 HydrophobicContact CE1-CG2 3.82Å; Y303-I309 HydrophobicContact CE2-CD1 4.26Å; Y303-I309 HydrophobicContact CE2-CG1 4.38Å; Y303-I309 HydrophobicContact CG-CD1 3.95Å; N306-I309 HydrophobicContact CB-CD1 4.08Å; N306-I309 HydrophobicContact CB-CG1 4.16Å; N306-I309 WeakPolarHBondContact O-CB 3.49Å; N306-I309 PolarHBondContact O-N 3.12Å; N306-I309 VanDerWaalsContact O-N 3.16Å; K307-I309 PolarHBondContact O-N 2.79Å; I309-I313 HydrophobicContact CG2-CD1 4.06Å; I309-I313 HydrophobicContact CG2-CG1 4.02Å
310	Q	98.1	Very high	97.9	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.037	16%	0.159	C	C	.	.			trans	-69.1	159.9	-174.3	-56.9	-54.6	-54.4	0	0	112.1	Y93 I261 A268 R308 I312 I313	Y93-Q310 PolarHBondContact O-NE2 2.92Å; I261-Q310 HydrophobicContact CB-CG 4.04Å; I261-Q310 HydrophobicContact CG1-CG 3.88Å; I261-Q310 HydrophobicContact CG2-CG 4.34Å; A268-Q310 HydrophobicContact CB-CB 4.06Å; A268-Q310 HydrophobicContact CB-CG 3.66Å; R308-Q310 PolarHBondContact O-N 2.89Å; R308-Q310 PolarHBondContact O-NE2 2.88Å; Q310-I312 PolarHBondContact O-N 2.94Å; Q310-I313 HydrophobicContact CB-CD1 4.36Å
311	P	98.3	Very high	97.9	Very high	40 Å²	40	29.6 Å²	29.6	26%	0.26	14%	0.14	S	C	.	.	S	Bend	trans	-60.3	-29	-174.5	-26.8	36.2	0	0	0	115.1	L270 P271 K275 K294	L270-P311 HydrophobicContact CD1-CG 4.15Å; P271-P311 HydrophobicContact CG-CB 4.45Å; K275-P311 HydrophobicContact CD-CB 3.97Å; K294-P311 PolarHBondContact N-O 2.85Å
312	I	98.6	Very high	97.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.6	178.6	-54	175.6	0	0	0	108.7	V269 P271 K275 V278 L282 V291 Y292 L293 Q310 L314	V269-I312 HydrophobicContact CB-CB 4.17Å; V269-I312 PolarHBondContact N-O 3.26Å; V269-I312 PolarHBondContact O-N 3.05Å; P271-I312 HydrophobicContact CG-CD1 3.83Å; P271-I312 HydrophobicContact CG-CG1 4.26Å; K275-I312 HydrophobicContact CG-CD1 4.43Å; K275-I312 HydrophobicContact CG-CG1 4.45Å; V278-I312 HydrophobicContact CB-CD1 4.27Å; V278-I312 HydrophobicContact CG1-CD1 4.07Å; L282-I312 HydrophobicContact CD1-CD1 4.05Å; L282-I312 HydrophobicContact CD1-CG2 3.79Å; V291-I312 HydrophobicContact CG1-CG2 3.7Å; Y292-I312 WeakPolarHBondContact O-CA 3.43Å; L293-I312 HydrophobicContact CD2-CG1 4.19Å; Q310-I312 PolarHBondContact O-N 2.94Å; I312-L314 HydrophobicContact CG2-CD2 4.19Å
313	I	98.6	Very high	97.7	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.2	174.9	-59	-58.3	0	0	0	108.8	V266 A268 Y292 I297 Y303 I309 Q310 V315	V266-I313 HydrophobicContact CG1-CG2 3.58Å; A268-I313 HydrophobicContact CB-CD1 3.85Å; Y292-I313 PolarHBondContact N-O 2.88Å; Y292-I313 PolarHBondContact O-N 2.86Å; I297-I313 HydrophobicContact CD1-CB 4.11Å; I297-I313 HydrophobicContact CD1-CG1 3.68Å; Y303-I313 HydrophobicContact CE1-CD1 4.33Å; Y303-I313 HydrophobicContact CE1-CG1 4.35Å; I309-I313 HydrophobicContact CG2-CD1 4.06Å; I309-I313 HydrophobicContact CG2-CG1 4.02Å; Q310-I313 HydrophobicContact CB-CD1 4.36Å; I313-V315 HydrophobicContact CG2-CG2 4.21Å
314	L	98.6	Very high	97.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.6	177.5	-54.5	179.8	0	0	0	108.6	L249 V266 A267 V269 L282 M289 K290 V291 I312 I322	L249-L314 HydrophobicContact CD1-CD1 4.07Å; L249-L314 HydrophobicContact CD2-CD1 3.97Å; V266-L314 CarbonylContact C-O 3.48Å; V266-L314 WeakPolarHBondContact CA-O 3.26Å; A267-L314 HydrophobicContact CB-CB 4.12Å; A267-L314 HydrophobicContact CB-CD1 4.2Å; A267-L314 PolarHBondContact N-O 2.83Å; A267-L314 PolarHBondContact O-N 3.49Å; V269-L314 HydrophobicContact CG2-CD1 3.62Å; V269-L314 HydrophobicContact CG2-CG 3.95Å; L282-L314 HydrophobicContact CB-CD2 4.36Å; L282-L314 HydrophobicContact CD1-CD2 4.16Å; L282-L314 HydrophobicContact CD2-CD1 3.89Å; L282-L314 HydrophobicContact CD2-CD2 4.03Å; L282-L314 HydrophobicContact CG-CD2 4.41Å; M289-L314 HydrophobicContact CE-CD1 4.39Å; M289-L314 HydrophobicContact CE-CD2 4.12Å; M289-L314 HydrophobicContact CG-CB 4.08Å; M289-L314 HydrophobicContact CG-CD2 4.49Å; M289-L314 HydrophobicContact SD-CB 3.72Å; M289-L314 HydrophobicContact SD-CD1 3.74Å; M289-L314 HydrophobicContact SD-CD2 3.93Å; M289-L314 HydrophobicContact SD-CG 4.01Å; K290-L314 CarbonylContact O-C 3.5Å; K290-L314 WeakPolarHBondContact O-CA 3.02Å; V291-L314 HydrophobicContact CB-CD2 4.11Å; V291-L314 HydrophobicContact CG1-CD2 3.8Å; V291-L314 HydrophobicContact CG2-CD2 3.78Å; I312-L314 HydrophobicContact CG2-CD2 4.19Å; L314-I322 HydrophobicContact CB-CD1 3.72Å; L314-I322 HydrophobicContact CD1-CG2 4.4Å
315	V	98.4	Very high	97.4	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.042	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	109.9	178.2	-176.5	0	0	0	0	108.1	F65 V266 M289 K290 Y292 I313	F65-V315 HydrophobicContact CE2-CG1 4.47Å; F65-V315 HydrophobicContact CE2-CG2 4.45Å; F65-V315 HydrophobicContact CZ-CG2 3.85Å; V266-V315 HydrophobicContact CG1-CG2 4.31Å; V266-V315 HydrophobicContact CG2-CB 4.46Å; V266-V315 HydrophobicContact CG2-CG1 4.13Å; V266-V315 HydrophobicContact CG2-CG2 4.21Å; M289-V315 CarbonylContact C-O 3.56Å; M289-V315 WeakPolarHBondContact CA-O 3.38Å; K290-V315 HydrophobicContact CB-CB 4.49Å; K290-V315 PolarHBondContact N-O 3.36Å; K290-V315 PolarHBondContact O-N 3.3Å; Y292-V315 HydrophobicContact CD2-CG2 4Å; Y292-V315 HydrophobicContact CE2-CB 4.33Å; Y292-V315 HydrophobicContact CE2-CG2 3.91Å; I313-V315 HydrophobicContact CG2-CG2 4.21Å
316	A	98.4	Very high	97.1	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.033	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	147.8	176.3	0	0	0	0	0	111.5	P265 W320 I322 Y336	P265-A316 HydrophobicContact CB-CB 4.33Å; P265-A316 WeakPolarHBondContact O-CB 3.46Å; P265-A316 PolarHBondContact O-N 3.47Å; A316-W320 HydrophobicContact CB-CB 4.07Å; A316-W320 WeakPolarHBondContact CB-O 3.44Å; A316-I322 HydrophobicContact CB-CD1 3.98Å; A316-I322 HydrophobicContact CB-CG1 4.06Å; A316-Y336 HydrophobicContact CB-CE1 4.43Å
317	D	98.4	Very high	96.8	Very high	59 Å²	59	32.5 Å²	32.5	32%	0.316	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-61.2	153.6	163.1	-74.2	-15.1	0	0	0	110.3	H288 G319 W320 Y336	H288-D317 WeakPolarHBondContact CA-OD2 3.33Å; H288-D317 HydrophobicContact CB-CB 4.28Å; H288-D317 IonicContact CG-OD2 3.74Å; H288-D317 IonicContact ND1-OD2 3.02Å; H288-D317 PolarHBondContact ND1-OD2 3.26Å; H288-D317 PolarHBondContact O-N 3.01Å; D317-G319 PolarHBondContact O-N 3.05Å; D317-W320 WeakPolarHBondContact O-CB 3.44Å; D317-W320 PolarHBondContact O-N 3.03Å; D317-Y336 WeakPolarHBondContact O-CE1 3.4Å
318	E	97.9	Very high	96.7	Very high	81 Å²	81	29.6 Å²	29.6	38%	0.379	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	127.4	-178	-170.9	178.6	-119.4	0	0	112.8	A239 W320 L340 S342	A239-E318 HydrophobicContact CB-CG 4.08Å; E318-W320 VanDerWaalsContact C-N 3.29Å; E318-W320 PolarHBondContact O-N 2.99Å; E318-L340 HydrophobicContact CB-CD1 3.87Å; E318-L340 HydrophobicContact CB-CD2 4.27Å; E318-L340 HydrophobicContact CG-CD1 4.13Å; E318-S342 WeakPolarHBondContact OE1-CB 3.43Å; E318-S342 PolarHBondContact OE1-OG 3.36Å
319	G	97	Very high	96.4	Very high	5 Å²	5	34.6 Å²	34.6	5%	0.052	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	2	-179.5	0	0	0	0	0	115.6	P240 K245 D317 Y336	P240-G319 WeakPolarHBondContact O-CA 3.45Å; K245-G319 WeakPolarHBondContact CB-O 3.31Å; K245-G319 WeakPolarHBondContact CD-O 3.46Å; D317-G319 PolarHBondContact O-N 3.05Å; G319-Y336 PolarHBondContact N-OH 2.85Å
320	W	98.1	Very high	96.2	Very high	38 Å²	38	38.3 Å²	38.3	14%	0.144	21%	0.213	C	C	.	.			trans	-89.8	142.6	165.2	-73.8	84.8	0	0	0	111.2	K245 I247 H288 A316 D317 E318 Y336	K245-W320 HydrophobicContact CB-CD2 3.69Å; K245-W320 HydrophobicContact CB-CE3 3.83Å; K245-W320 HydrophobicContact CB-CG 4.05Å; K245-W320 HydrophobicContact CB-CZ2 4.44Å; K245-W320 HydrophobicContact CB-CZ3 4.29Å; K245-W320 HydrophobicContact CD-CD2 4.5Å; K245-W320 HydrophobicContact CD-CG 4.45Å; K245-W320 HydrophobicContact CG-CD2 4.19Å; K245-W320 HydrophobicContact CG-CZ2 4.21Å; K245-W320 WeakPolarHBondContact O-CA 3.38Å; I247-W320 HydrophobicContact CD1-CB 4.46Å; I247-W320 HydrophobicContact CD1-CE3 4.15Å; I247-W320 HydrophobicContact CG1-CE3 3.71Å; I247-W320 HydrophobicContact CG1-CZ3 4.23Å; H288-W320 HydrophobicContact CB-CD2 3.58Å; H288-W320 VanDerWaalsContact CB-CE2 3.47Å; H288-W320 HydrophobicContact CB-CE3 4.16Å; H288-W320 HydrophobicContact CB-CG 3.81Å; H288-W320 HydrophobicContact CB-CZ2 4Å; H288-W320 AromaticContact CD2-CE2 3.38Å; H288-W320 AromaticContact CD2-CH2 3.57Å; H288-W320 AromaticContact CD2-CZ2 2.99Å; H288-W320 WeakPolarHBondContact CD2-CZ2 3.23Å; H288-W320 AromaticContact CD2-NE1 3.76Å; H288-W320 AromaticContact CE1-NE1 3.99Å; H288-W320 AromaticContact CG-CD2 3.98Å; H288-W320 AromaticContact CG-CE2 3.3Å; H288-W320 AromaticContact CG-CZ2 3.49Å; H288-W320 VanDerWaalsContact CG-CZ2 3.49Å; H288-W320 AromaticContact CG-NE1 3.3Å; H288-W320 VanDerWaalsContact CG-NE1 3.3Å; H288-W320 AromaticContact ND1-CE2 3.94Å; H288-W320 AromaticContact ND1-NE1 3.49Å; H288-W320 PolarHBondContact ND1-NE1 3.24Å; H288-W320 AromaticContact NE2-CZ2 3.5Å; A316-W320 HydrophobicContact CB-CB 4.07Å; A316-W320 WeakPolarHBondContact CB-O 3.44Å; D317-W320 WeakPolarHBondContact O-CB 3.44Å; D317-W320 PolarHBondContact O-N 3.03Å; E318-W320 VanDerWaalsContact C-N 3.29Å; E318-W320 PolarHBondContact O-N 2.99Å; W320-Y336 WeakPolarHBondContact O-CE1 3.48Å; W320-Y336 PolarHBondContact O-OH 3.13Å
321	T	97.9	Very high	96.2	Very high	8 Å²	8	42.2 Å²	42.2	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126	-177	-55.3	0	0	0	0	110.1	K245 L246 I247 S264 V323 L328	K245-T321 PolarHBondContact O-N 2.72Å; L246-T321 WeakPolarHBondContact CA-O 3.5Å; L246-T321 HydrophobicContact CD2-CG2 4.23Å; I247-T321 PolarHBondContact N-O 2.84Å; S264-T321 WeakPolarHBondContact OG-CA 3.34Å; S264-T321 VanDerWaalsContact OG-CG2 3.32Å; S264-T321 WeakPolarHBondContact OG-CG2 3.18Å; T321-V323 HydrophobicContact CG2-CG1 3.9Å; T321-L328 HydrophobicContact CG2-CD1 4.06Å
322	I	97.4	Very high	96.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.1	175.3	-59.4	164.8	0	0	0	109.2	I247 L249 S264 A267 M289 L314 A316	I247-I322 HydrophobicContact CB-CG1 4.35Å; I247-I322 HydrophobicContact CD1-CG1 4.34Å; L249-I322 HydrophobicContact CD1-CG2 3.73Å; L249-I322 HydrophobicContact CD2-CG2 4.04Å; L249-I322 HydrophobicContact CG-CG2 3.8Å; S264-I322 WeakPolarHBondContact CB-O 3.47Å; A267-I322 HydrophobicContact CB-CB 4.34Å; A267-I322 HydrophobicContact CB-CD1 4.1Å; A267-I322 HydrophobicContact CB-CG2 3.94Å; M289-I322 HydrophobicContact CG-CD1 4.09Å; M289-I322 HydrophobicContact SD-CD1 3.68Å; M289-I322 HydrophobicContact SD-CG1 4.02Å; L314-I322 HydrophobicContact CB-CD1 3.72Å; L314-I322 HydrophobicContact CD1-CG2 4.4Å; A316-I322 HydrophobicContact CB-CD1 3.98Å; A316-I322 HydrophobicContact CB-CG1 4.06Å
323	V	95.7	Very high	96.2	Very high	14 Å²	14	40.9 Å²	40.9	9%	0.085	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.7	179.6	-62.3	0	0	0	0	110.2	I247 I248 L249 T321 E326	I247-V323 PolarHBondContact O-N 2.75Å; I247-V323 VanDerWaalsContact O-O 3.12Å; I248-V323 HydrophobicContact CB-CG2 4.4Å; I248-V323 HydrophobicContact CG1-CG2 3.79Å; L249-V323 PolarHBondContact N-O 2.99Å; T321-V323 HydrophobicContact CG2-CG1 3.9Å; V323-E326 WeakPolarHBondContact CG2-O 3.4Å
324	Q	94.5	Very high	96.2	Very high	25 Å²	25	41 Å²	41	12%	0.117	22%	0.224	C	C	.	.	S	Bend	trans	-76.2	-59.3	174.5	-61.4	-169.7	-108.5	0	0	110	I248 L249 D250 Y258 L260 E326	I248-Q324 WeakPolarHBondContact CG2-O 3.5Å; L249-Q324 PolarHBondContact N-O 3.37Å; D250-Q324 VanDerWaalsContact CB-O 3.24Å; D250-Q324 WeakPolarHBondContact CB-O 3.37Å; D250-Q324 PolarHBondContact N-O 2.86Å; Y258-Q324 HydrophobicContact CE2-CG 4.49Å; L260-Q324 HydrophobicContact CB-CG 4.14Å; L260-Q324 HydrophobicContact CD2-CG 3.36Å; L260-Q324 HydrophobicContact CG-CG 4.36Å; Q324-E326 WeakPolarHBondContact CA-OE2 3.27Å; Q324-E326 WeakPolarHBondContact CB-OE2 3.38Å; Q324-E326 PolarHBondContact N-OE2 3.24Å
325	N	92.8	Very high	96.1	Very high	114 Å²	114	41 Å²	41	61%	0.61	22%	0.224	S	C	*	.	S	Bend	trans	-156.8	12.5	176.2	-164.9	33.6	0	0	0	112.2	D250	D250-N325 HydrophobicContact CB-CB 4.19Å
326	E	91.9	Very high	96.1	Very high	77 Å²	77	40.6 Å²	40.6	36%	0.36	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-87.5	157.9	-175.4	-51.6	97.5	138.3	0	0	111.7	K263 V323 Q324	K263-E326 IonicContact NZ-OE1 3.13Å; K263-E326 PolarHBondContact NZ-OE1 2.9Å; K263-E326 VanDerWaalsContact NZ-OE1 3.13Å; V323-E326 WeakPolarHBondContact CG2-O 3.4Å; Q324-E326 WeakPolarHBondContact CA-OE2 3.27Å; Q324-E326 WeakPolarHBondContact CB-OE2 3.38Å; Q324-E326 PolarHBondContact N-OE2 3.24Å
327	S	91.5	Very high	96.1	Very high	97 Å²	97	41.6 Å²	41.6	68%	0.678	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-73.4	163.7	166.4	58.5	0	0	0	0	111	S329	S327-S329 PolarHBondContact O-N 2.92Å
328	L	93.4	Very high	96.1	Very high	33 Å²	33	39.6 Å²	39.6	17%	0.173	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-54.5	124.7	173.6	-174.6	69.8	0	0	0	110.5	C241 A243 L246 T321 K330 L331	C241-L328 HydrophobicContact CB-CD1 3.82Å; C241-L328 HydrophobicContact CB-CD2 4.22Å; A243-L328 HydrophobicContact CB-CB 4.31Å; A243-L328 HydrophobicContact CB-CD2 4.34Å; L246-L328 HydrophobicContact CD2-CB 4.24Å; L246-L328 HydrophobicContact CD2-CD1 4.06Å; T321-L328 HydrophobicContact CG2-CD1 4.06Å; L328-K330 VanDerWaalsContact CD1-O 3.32Å; L328-K330 WeakPolarHBondContact CD1-O 3.45Å; L328-K330 VanDerWaalsContact CD2-O 3.31Å; L328-K330 WeakPolarHBondContact CD2-O 3.05Å; L328-K330 WeakPolarHBondContact CG-O 3.26Å; L328-L331 HydrophobicContact CD2-CD2 4.31Å
329	S	90.9	Very high	96.1	Very high	109 Å²	109	38.8 Å²	38.8	76%	0.762	22%	0.223	S	C	*	.			trans	-101.1	-18.2	-177.2	56.9	0	0	0	0	114	S327	S327-S329 PolarHBondContact O-N 2.92Å
330	K	94.4	Very high	96.2	Very high	82 Å²	82	40.5 Å²	40.5	36%	0.357	23%	0.231	S	C	.	.			trans	-137.4	149.7	-176.6	-52	-174.7	-177.7	-178.2	0	110.9	H191 L328 G332	H191-K330 HydrophobicContact CB-CD 4.14Å; H191-K330 PolarHBondContact CE1-NZ 3.43Å; H191-K330 WeakPolarHBondContact ND1-CD 3.46Å; H191-K330 PolarHBondContact NE2-NZ 2.85Å; L328-K330 VanDerWaalsContact CD1-O 3.32Å; L328-K330 WeakPolarHBondContact CD1-O 3.45Å; L328-K330 VanDerWaalsContact CD2-O 3.31Å; L328-K330 WeakPolarHBondContact CD2-O 3.05Å; L328-K330 WeakPolarHBondContact CG-O 3.26Å; K330-G332 WeakPolarHBondContact CB-O 3.33Å
331	L	97.6	Very high	96.2	Very high	90 Å²	90	43 Å²	43	47%	0.471	25%	0.252	S	S	.	.	S	Bend	trans	-95	-16	178.5	-63.2	-174.2	0	0	0	113.3	H191 K192 G194 C241 L328	H191-L331 PolarHBondContact O-N 3.22Å; K192-L331 WeakPolarHBondContact O-CD1 3.44Å; G194-L331 WeakPolarHBondContact CA-O 3.4Å; C241-L331 PolarHBondContact N-O 2.89Å; L328-L331 HydrophobicContact CD2-CD2 4.31Å
332	G	98.2	Very high	96.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	153.6	163.9	0	0	0	0	0	110.1	G190 H191 M238 A239 K330	G190-G332 WeakPolarHBondContact O-CA 3.5Å; G190-G332 PolarHBondContact O-N 3.36Å; H191-G332 PolarHBondContact ND1-O 3.17Å; H191-G332 PolarHBondContact O-N 3.37Å; M238-G332 VanDerWaalsContact SD-C 3.53Å; A239-G332 CarbonylContact O-C 3.39Å; A239-G332 WeakPolarHBondContact O-CA 3.38Å; K330-G332 WeakPolarHBondContact CB-O 3.33Å
333	D	97.9	Very high	96.2	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.059	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	165.9	172	-158.4	8.6	0	0	0	110.2	K68 H191 M238 A239 C241 S264	K68-D333 IonicContact NZ-OD1 3.47Å; K68-D333 PolarHBondContact NZ-OD1 3.46Å; H191-D333 IonicContact CE1-OD1 3.44Å; H191-D333 PolarHBondContact CE1-OD1 2.61Å; M238-D333 PolarHBondContact SD-N 3.16Å; A239-D333 PolarHBondContact N-O 3.47Å; A239-D333 PolarHBondContact O-N 3.11Å; C241-D333 WeakPolarHBondContact SG-CB 3.4Å; S264-D333 PolarHBondContact OG-OD2 2.96Å
334	H	98.4	Very high	96.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.019	25%	0.251	C	S	.	.			trans	-144.6	164.1	-179.6	62.7	89.4	0	0	0	108.7	T67 K68 D187 H191 H236 G237 P265 M343	T67-H334 PolarHBondContact O-ND1 3.41Å; K68-H334 VanDerWaalsContact CE-O 3.28Å; K68-H334 WeakPolarHBondContact CE-O 3.4Å; K68-H334 PolarHBondContact NZ-O 3.24Å; D187-H334 IonicContact OD2-CD2 2.78Å; D187-H334 PolarHBondContact OD2-CD2 2.82Å; D187-H334 IonicContact OD2-NE2 2.83Å; H191-H334 AromaticContact CE1-CD2 3.33Å; H191-H334 PolarHBondContact CE1-CD2 2.46Å; H191-H334 AromaticContact CE1-NE2 3.47Å; H191-H334 PolarHBondContact CE1-NE2 3.02Å; H191-H334 AromaticContact NE2-CD2 3.63Å; H191-H334 AromaticContact NE2-NE2 3.31Å; H191-H334 PolarHBondContact NE2-NE2 3.26Å; H236-H334 AromaticContact CD2-CE1 3.79Å; H236-H334 AromaticContact CD2-ND1 3.43Å; H236-H334 PolarHBondContact CD2-ND1 2.67Å; H236-H334 AromaticContact CE1-CD2 3.47Å; H236-H334 PolarHBondContact CE1-CD2 3.14Å; H236-H334 VanDerWaalsContact CE1-CD2 3.47Å; H236-H334 AromaticContact CE1-CE1 3.24Å; H236-H334 PolarHBondContact CE1-CE1 3.24Å; H236-H334 AromaticContact CE1-CG 3.28Å; H236-H334 AromaticContact CE1-ND1 3.15Å; H236-H334 PolarHBondContact CE1-ND1 3.33Å; H236-H334 AromaticContact CE1-NE2 3.53Å; H236-H334 AromaticContact CG-CG 3.98Å; H236-H334 AromaticContact CG-ND1 3.64Å; H236-H334 AromaticContact ND1-CD2 3.95Å; H236-H334 AromaticContact ND1-CG 3.39Å; H236-H334 AromaticContact ND1-ND1 3.45Å; H236-H334 PolarHBondContact ND1-ND1 2.75Å; H236-H334 AromaticContact NE2-CE1 2.97Å; H236-H334 PolarHBondContact NE2-CE1 2.68Å; H236-H334 AromaticContact NE2-CG 3.71Å; H236-H334 AromaticContact NE2-ND1 3.04Å; H236-H334 PolarHBondContact NE2-ND1 3.41Å; H236-H334 AromaticContact NE2-NE2 3.69Å; G237-H334 WeakPolarHBondContact O-CB 2.94Å; P265-H334 WeakPolarHBondContact CD-O 3.48Å; P265-H334 WeakPolarHBondContact CG-O 3.47Å; H334-M343 HydrophobicContact CB-CE 4.3Å; H334-M343 HydrophobicContact CB-SD 4.09Å
335	G	98	Very high	96.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.246	C	C	.	.			trans	123.2	-5.1	-175.3	0	0	0	0	0	112.9	T67 P265 V266	T67-G335 WeakPolarHBondContact O-CA 3.44Å; T67-G335 PolarHBondContact O-N 2.83Å; T67-G335 VanDerWaalsContact O-N 3.17Å; T67-G335 WeakPolarHBondContact OG1-CA 3.01Å; T67-G335 PolarHBondContact OG1-N 2.81Å; P265-G335 VanDerWaalsContact CG-C 3.5Å; V266-G335 WeakPolarHBondContact CG2-O 3.17Å
336	Y	98.4	Very high	96.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-63.5	-177	-178.4	-59.1	-89.6	0	0	0	111.7	T67 A239 P265 A316 D317 G319 W320 N338 L340 M343	T67-Y336 WeakPolarHBondContact CG2-O 3.31Å; T67-Y336 PolarHBondContact OG1-N 3.25Å; T67-Y336 PolarHBondContact OG1-O 3.07Å; A239-Y336 HydrophobicContact CB-CD2 4.13Å; A239-Y336 HydrophobicContact CB-CE2 3.75Å; P265-Y336 HydrophobicContact CB-CD1 3.43Å; P265-Y336 VanDerWaalsContact CB-CD1 3.43Å; P265-Y336 HydrophobicContact CB-CD2 4.12Å; P265-Y336 HydrophobicContact CB-CE1 3.21Å; P265-Y336 HydrophobicContact CB-CE2 3.91Å; P265-Y336 HydrophobicContact CB-CG 3.88Å; P265-Y336 VanDerWaalsContact CB-CZ 3.46Å; P265-Y336 HydrophobicContact CG-CD1 3.75Å; P265-Y336 HydrophobicContact CG-CD2 3.62Å; P265-Y336 HydrophobicContact CG-CE1 3.86Å; P265-Y336 HydrophobicContact CG-CE2 3.7Å; P265-Y336 HydrophobicContact CG-CG 3.62Å; A316-Y336 HydrophobicContact CB-CE1 4.43Å; D317-Y336 WeakPolarHBondContact O-CE1 3.4Å; G319-Y336 PolarHBondContact N-OH 2.85Å; W320-Y336 WeakPolarHBondContact O-CE1 3.48Å; W320-Y336 PolarHBondContact O-OH 3.13Å; Y336-N338 PolarHBondContact O-N 2.92Å; Y336-L340 HydrophobicContact CG-CD1 4.3Å; Y336-M343 HydrophobicContact CD2-CE 3.82Å; Y336-M343 HydrophobicContact CD2-SD 3.79Å; Y336-M343 HydrophobicContact CG-SD 4.41Å
337	D	98.4	Very high	97.2	Very high	25 Å²	25	32.4 Å²	32.4	13%	0.134	20%	0.199	C	C	.	.			trans	-50.5	122.6	173.3	-167.4	-35.4	0	0	0	112	R300 F301 A339 L340	R300-D337 IonicContact CZ-OD1 3.32Å; R300-D337 IonicContact CZ-OD2 3.89Å; R300-D337 IonicContact NH1-OD1 3.15Å; R300-D337 PolarHBondContact NH1-OD1 3.29Å; R300-D337 IonicContact NH1-OD2 2.71Å; R300-D337 VanDerWaalsContact NH2-CG 3.27Å; R300-D337 IonicContact NH2-OD1 3.07Å; R300-D337 PolarHBondContact NH2-OD1 2.92Å; R300-D337 VanDerWaalsContact NH2-OD1 3.16Å; R300-D337 IonicContact NH2-OD2 2.81Å; R300-D337 PolarHBondContact NH2-OD2 2.87Å; F301-D337 WeakPolarHBondContact CE1-OD1 3.48Å; F301-D337 HydrophobicContact CZ-CB 4.45Å; D337-A339 PolarHBondContact O-N 3.35Å; D337-A339 VanDerWaalsContact OD1-CB 3.28Å; D337-A339 WeakPolarHBondContact OD1-CB 3.43Å; D337-A339 PolarHBondContact OD1-N 3.47Å; D337-L340 HydrophobicContact CB-CD1 4.12Å; D337-L340 HydrophobicContact CB-CG 4.23Å; D337-L340 WeakPolarHBondContact O-CB 3.23Å; D337-L340 WeakPolarHBondContact O-CG 3.32Å; D337-L340 PolarHBondContact O-N 3.29Å
338	N	98.1	Very high	97.5	Very high	17 Å²	17	27.8 Å²	27.8	9%	0.091	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	5	179.9	72.7	-29.6	0	0	0	113.8	N63 F65 T67 Y336 H344	N63-N338 WeakPolarHBondContact O-CB 3.44Å; N63-N338 PolarHBondContact O-ND2 3.21Å; F65-N338 HydrophobicContact CB-CB 4.3Å; T67-N338 HydrophobicContact CG2-CB 3.58Å; Y336-N338 PolarHBondContact O-N 2.92Å; N338-H344 PolarHBondContact O-NE2 2.92Å
339	A	97.8	Very high	97.8	Very high	63 Å²	63	26.2 Å²	26.2	52%	0.521	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-17.6	165	0	0	0	0	0	113	D337	D337-A339 PolarHBondContact O-N 3.35Å; D337-A339 VanDerWaalsContact OD1-CB 3.28Å; D337-A339 WeakPolarHBondContact OD1-CB 3.43Å; D337-A339 PolarHBondContact OD1-N 3.47Å
340	L	98.4	Very high	98.1	Very high	42 Å²	42	21.2 Å²	21.2	22%	0.22	12%	0.123	C	C	.	.	S	Bend	trans	-72.2	127.1	-176.2	-68	166.7	0	0	0	111.2	E318 Y336 D337 S342 M343 H344	E318-L340 HydrophobicContact CB-CD1 3.87Å; E318-L340 HydrophobicContact CB-CD2 4.27Å; E318-L340 HydrophobicContact CG-CD1 4.13Å; Y336-L340 HydrophobicContact CG-CD1 4.3Å; D337-L340 HydrophobicContact CB-CD1 4.12Å; D337-L340 HydrophobicContact CB-CG 4.23Å; D337-L340 WeakPolarHBondContact O-CB 3.23Å; D337-L340 WeakPolarHBondContact O-CG 3.32Å; D337-L340 PolarHBondContact O-N 3.29Å; L340-S342 PolarHBondContact O-N 3.01Å; L340-S342 VanDerWaalsContact O-N 3.12Å; L340-M343 HydrophobicContact CB-CG 4.05Å; L340-M343 WeakPolarHBondContact O-CB 3.07Å; L340-M343 PolarHBondContact O-N 3.22Å; L340-H344 PolarHBondContact O-CE1 3.49Å; L340-H344 VanDerWaalsContact O-CE1 3.27Å; L340-H344 PolarHBondContact O-ND1 3.45Å
341	P	97.8	Very high	98.3	Very high	90 Å²	90	17.9 Å²	17.9	58%	0.584	11%	0.112	S	C	*	.	G	3₁₀ helix	trans	-55	-30.2	176.3	-27.3	35.9	0	0	0	114.1	M343 H344	P341-M343 PolarHBondContact O-N 2.91Å; P341-H344 WeakPolarHBondContact CA-ND1 3.11Å; P341-H344 PolarHBondContact O-N 2.83Å
342	S	98.3	Very high	98.3	Very high	14 Å²	14	17 Å²	17	10%	0.098	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-67.3	-17.8	179.2	67.1	0	0	0	0	113.3	R36 G237 M238 E318 L340	R36-S342 WeakPolarHBondContact CD-O 3.24Å; R36-S342 WeakPolarHBondContact CG-O 3.28Å; G237-S342 CarbonylContact C-O 3.57Å; G237-S342 VanDerWaalsContact CA-O 3.23Å; G237-S342 WeakPolarHBondContact CA-O 3.42Å; M238-S342 PolarHBondContact N-O 3.01Å; E318-S342 WeakPolarHBondContact OE1-CB 3.43Å; E318-S342 PolarHBondContact OE1-OG 3.36Å; L340-S342 PolarHBondContact O-N 3.01Å; L340-S342 VanDerWaalsContact O-N 3.12Å
343	M	98.6	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-95.5	-7.3	-178	-64	-63.8	97.9	0	0	113.1	N63 T67 H236 G237 A239 H334 Y336 L340 P341 P345	N63-M343 PolarHBondContact ND2-O 3.17Å; N63-M343 PolarHBondContact OD1-O 3.5Å; T67-M343 HydrophobicContact CG2-CB 3.93Å; T67-M343 HydrophobicContact CG2-CG 4.27Å; T67-M343 PolarHBondContact OG1-SD 2.95Å; H236-M343 CarbonylContact C-O 3.49Å; H236-M343 WeakPolarHBondContact CA-O 3.39Å; G237-M343 VanDerWaalsContact N-C 3.31Å; G237-M343 PolarHBondContact N-O 2.86Å; A239-M343 HydrophobicContact CB-CE 3.68Å; H334-M343 HydrophobicContact CB-CE 4.3Å; H334-M343 HydrophobicContact CB-SD 4.09Å; Y336-M343 HydrophobicContact CD2-CE 3.82Å; Y336-M343 HydrophobicContact CD2-SD 3.79Å; Y336-M343 HydrophobicContact CG-SD 4.41Å; L340-M343 HydrophobicContact CB-CG 4.05Å; L340-M343 WeakPolarHBondContact O-CB 3.07Å; L340-M343 PolarHBondContact O-N 3.22Å; P341-M343 PolarHBondContact O-N 2.91Å; M343-P345 WeakPolarHBondContact O-CD 3.41Å
344	H	98.5	Very high	98.2	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.014	12%	0.118	C	C	.	.			trans	-88.7	126.7	-173.5	-62	136.3	0	0	0	112.2	A37 Q60 V61 N63 N338 L340 P341	A37-H344 VanDerWaalsContact CB-O 3.26Å; A37-H344 WeakPolarHBondContact CB-O 3.45Å; A37-H344 PolarHBondContact N-O 3.24Å; Q60-H344 HydrophobicContact CG-CB 3.47Å; Q60-H344 VanDerWaalsContact CG-CB 3.47Å; Q60-H344 PolarHBondContact NE2-CE1 3.49Å; Q60-H344 VanDerWaalsContact NE2-CE1 3.28Å; Q60-H344 PolarHBondContact NE2-ND1 2.77Å; V61-H344 WeakPolarHBondContact O-CB 3.41Å; N63-H344 PolarHBondContact OD1-CD2 3.13Å; N338-H344 PolarHBondContact O-NE2 2.92Å; L340-H344 PolarHBondContact O-CE1 3.49Å; L340-H344 VanDerWaalsContact O-CE1 3.27Å; L340-H344 PolarHBondContact O-ND1 3.45Å; P341-H344 WeakPolarHBondContact CA-ND1 3.11Å; P341-H344 PolarHBondContact O-N 2.83Å
345	P	98.4	Very high	98.1	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-80.4	179.5	166.7	32.3	-32.9	0	0	0	111.4	Q60 V61 N63 S234 M343	Q60-P345 CarbonylContact C-O 3.4Å; Q60-P345 WeakPolarHBondContact CA-O 3.18Å; V61-P345 HydrophobicContact CB-CG 4.19Å; V61-P345 PolarHBondContact N-O 3.1Å; V61-P345 WeakPolarHBondContact O-CD 3.44Å; N63-P345 HydrophobicContact CB-CG 4.47Å; S234-P345 VanDerWaalsContact O-CG 3.3Å; S234-P345 WeakPolarHBondContact O-CG 3.42Å; M343-P345 WeakPolarHBondContact O-CD 3.41Å
346	F	98.7	Very high	98	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.			trans	-110.8	172.3	169	72.8	-84.8	0	0	0	110.3	F35 A37 L40 L48 L57 I232 T233 A348	F35-F346 HydrophobicContact CB-CE1 4.27Å; F35-F346 AromaticContact CD1-CE1 3.76Å; F35-F346 HydrophobicContact CD1-CE1 3.76Å; F35-F346 HydrophobicContact CD1-CZ 4.19Å; F35-F346 HydrophobicContact CD2-CD1 4.34Å; F35-F346 AromaticContact CD2-CE1 3.71Å; F35-F346 HydrophobicContact CD2-CE1 3.71Å; F35-F346 AromaticContact CE1-CE1 3.95Å; F35-F346 HydrophobicContact CE1-CE1 3.95Å; F35-F346 HydrophobicContact CE1-CZ 4.16Å; F35-F346 AromaticContact CE2-CE1 3.92Å; F35-F346 HydrophobicContact CE2-CE1 3.92Å; F35-F346 AromaticContact CG-CE1 3.65Å; F35-F346 HydrophobicContact CG-CE1 3.65Å; F35-F346 HydrophobicContact CZ-CE1 4.05Å; F35-F346 HydrophobicContact CZ-CZ 4.46Å; A37-F346 HydrophobicContact CB-CB 4.34Å; L40-F346 HydrophobicContact CD1-CB 3.73Å; L40-F346 HydrophobicContact CD1-CD1 4.06Å; L40-F346 HydrophobicContact CD1-CD2 3.98Å; L40-F346 HydrophobicContact CD1-CG 3.64Å; L40-F346 HydrophobicContact CD2-CD1 4.06Å; L40-F346 HydrophobicContact CD2-CD2 4.38Å; L40-F346 HydrophobicContact CD2-CE1 3.97Å; L40-F346 HydrophobicContact CD2-CE2 4.31Å; L40-F346 HydrophobicContact CD2-CG 4.28Å; L40-F346 HydrophobicContact CD2-CZ 4.11Å; L40-F346 HydrophobicContact CG-CD1 4.08Å; L40-F346 HydrophobicContact CG-CE1 4.46Å; L40-F346 HydrophobicContact CG-CG 4.18Å; L48-F346 HydrophobicContact CD1-CE2 4.19Å; L48-F346 HydrophobicContact CD1-CZ 4.35Å; L48-F346 HydrophobicContact CD2-CE1 4.38Å; L48-F346 HydrophobicContact CD2-CE2 4.13Å; L48-F346 HydrophobicContact CD2-CZ 3.67Å; L57-F346 HydrophobicContact CD1-CD2 4.12Å; I232-F346 HydrophobicContact CG2-CE2 4.41Å; I232-F346 HydrophobicContact CG2-CZ 4.25Å; T233-F346 WeakPolarHBondContact CA-O 3.35Å; T233-F346 PolarHBondContact OG1-O 3.46Å; T233-F346 VanDerWaalsContact OG1-O 3.05Å; F346-A348 HydrophobicContact CD2-CB 4.19Å; F346-A348 HydrophobicContact CE2-CB 3.86Å
347	L	98.8	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.3	164.7	178.6	152.8	0	0	0	109.4	L57 V58 V61 I231 I232 A349 M363 I368 M371	L57-L347 CarbonylContact C-O 3.57Å; V58-L347 HydrophobicContact CB-CB 4.22Å; V58-L347 HydrophobicContact CG2-CD2 4.16Å; V58-L347 PolarHBondContact N-O 3.14Å; V58-L347 PolarHBondContact O-N 3.37Å; V58-L347 VanDerWaalsContact O-N 3.08Å; V61-L347 HydrophobicContact CG2-CB 3.63Å; I231-L347 HydrophobicContact CG2-CD1 3.75Å; I231-L347 HydrophobicContact CG2-CD2 4.38Å; I231-L347 HydrophobicContact CG2-CG 3.84Å; I232-L347 WeakPolarHBondContact O-CA 3.39Å; L347-A349 HydrophobicContact CD2-CB 4.2Å; L347-M363 HydrophobicContact CD1-SD 4.12Å; L347-I368 HydrophobicContact CD1-CD1 3.73Å; L347-I368 HydrophobicContact CD1-CG1 3.82Å; L347-I368 HydrophobicContact CD1-CG2 4.43Å; L347-M371 HydrophobicContact CD1-CE 4.22Å
348	A	98.8	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.8	167.4	0	0	0	0	0	108.7	L48 F51 I52 V56 I232 F346	L48-A348 HydrophobicContact CD1-CB 4.19Å; F51-A348 HydrophobicContact CD1-CB 3.89Å; F51-A348 HydrophobicContact CE1-CB 3.81Å; I52-A348 HydrophobicContact CD1-CB 4.36Å; I52-A348 HydrophobicContact CG1-CB 3.73Å; V56-A348 CarbonylContact O-C 3.54Å; V56-A348 VanDerWaalsContact O-CA 3.3Å; V56-A348 WeakPolarHBondContact O-CA 3.44Å; I232-A348 PolarHBondContact N-O 2.9Å; I232-A348 PolarHBondContact O-N 2.87Å; I232-A348 VanDerWaalsContact O-O 3.13Å; F346-A348 HydrophobicContact CD2-CB 4.19Å; F346-A348 HydrophobicContact CE2-CB 3.86Å
349	A	98.8	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	148	174.8	0	0	0	0	0	112.9	G55 V56 V230 I231 L347 F354	G55-A349 CarbonylContact C-O 3.48Å; G55-A349 VanDerWaalsContact CA-O 3.24Å; G55-A349 WeakPolarHBondContact CA-O 3.22Å; V56-A349 HydrophobicContact CG2-CB 3.76Å; V56-A349 PolarHBondContact N-O 3.45Å; V56-A349 PolarHBondContact O-N 2.85Å; V230-A349 CarbonylContact O-C 3.32Å; V230-A349 WeakPolarHBondContact O-CA 3.17Å; V230-A349 WeakPolarHBondContact O-CB 3.32Å; I231-A349 HydrophobicContact CB-CB 4.49Å; I231-A349 HydrophobicContact CG1-CB 3.94Å; L347-A349 HydrophobicContact CD2-CB 4.2Å; A349-F354 HydrophobicContact CB-CD1 3.91Å; A349-F354 HydrophobicContact CB-CD2 3.82Å; A349-F354 HydrophobicContact CB-CE1 3.66Å; A349-F354 HydrophobicContact CB-CE2 3.54Å; A349-F354 HydrophobicContact CB-CG 3.99Å; A349-F354 HydrophobicContact CB-CZ 3.46Å; A349-F354 VanDerWaalsContact CB-CZ 3.46Å
350	H	98.6	Very high	97.5	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.9	-179.5	168.9	-84.8	0	0	0	109.4	F51 D54 W225 N229 V230	F51-H350 HydrophobicContact CD1-CB 4.49Å; F51-H350 HydrophobicContact CD2-CB 4.3Å; F51-H350 HydrophobicContact CE1-CB 4Å; F51-H350 HydrophobicContact CE2-CB 3.75Å; F51-H350 HydrophobicContact CZ-CB 3.58Å; D54-H350 PolarHBondContact O-CD2 2.93Å; D54-H350 IonicContact OD2-CD2 3.39Å; D54-H350 IonicContact OD2-NE2 3.52Å; D54-H350 PolarHBondContact OD2-NE2 3.38Å; W225-H350 AromaticContact CD1-CE1 3.78Å; W225-H350 AromaticContact CD2-CE1 3.69Å; W225-H350 AromaticContact CE2-CE1 3.18Å; W225-H350 AromaticContact CE2-ND1 3.65Å; W225-H350 AromaticContact CE2-NE2 3.49Å; W225-H350 HydrophobicContact CH2-CB 4.39Å; W225-H350 AromaticContact CH2-CG 3.86Å; W225-H350 AromaticContact CH2-ND1 3.73Å; W225-H350 AromaticContact CZ2-CD2 3.64Å; W225-H350 AromaticContact CZ2-CE1 3.45Å; W225-H350 VanDerWaalsContact CZ2-CE1 3.45Å; W225-H350 WeakPolarHBondContact CZ2-CE1 3.46Å; W225-H350 AromaticContact CZ2-CG 3.66Å; W225-H350 AromaticContact CZ2-ND1 3.52Å; W225-H350 AromaticContact CZ2-NE2 3.52Å; W225-H350 AromaticContact NE1-CE1 3.24Å; W225-H350 PolarHBondContact NE1-CE1 3.33Å; W225-H350 AromaticContact NE1-NE2 3.34Å; W225-H350 PolarHBondContact NE1-NE2 3.47Å; W225-H350 PolarHBondContact O-CE1 3.45Å; N229-H350 CarbonylContact C-O 3.6Å; N229-H350 WeakPolarHBondContact CA-O 2.91Å; V230-H350 PolarHBondContact N-O 3.15Å; V230-H350 PolarHBondContact O-N 3.04Å
351	G	97.7	Very high	97.4	Very high	11 Å²	11	36.6 Å²	36.6	11%	0.113	20%	0.202	C	C	.	.	S	Bend	trans	134.3	-179.1	170.9	0	0	0	0	0	113.2	A353 F354	G351-A353 PolarHBondContact O-N 3.42Å; G351-A353 VanDerWaalsContact O-N 3.12Å; G351-F354 PolarHBondContact O-N 3.19Å
352	P	97.1	Very high	97.4	Very high	73 Å²	73	38.9 Å²	38.9	47%	0.474	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.1	-169.6	24.7	-35.3	0	0	0	114.7	N229 V395	N229-P352 VanDerWaalsContact OD1-CD 3.25Å; N229-P352 WeakPolarHBondContact OD1-CD 3.43Å; P352-V395 WeakPolarHBondContact O-CG2 3.39Å
353	A	97.6	Very high	97.3	Very high	19 Å²	19	38.5 Å²	38.5	16%	0.157	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-16.4	176.7	0	0	0	0	0	113.3	N229 G351 I375 L394 V395	N229-A353 WeakPolarHBondContact OD1-CB 3.28Å; N229-A353 PolarHBondContact OD1-N 2.75Å; G351-A353 PolarHBondContact O-N 3.42Å; G351-A353 VanDerWaalsContact O-N 3.12Å; A353-I375 HydrophobicContact CB-CG1 4.02Å; A353-I375 HydrophobicContact CB-CG2 4.06Å; A353-L394 HydrophobicContact CB-CD2 4.42Å; A353-L394 CarbonylContact O-C 3.58Å; A353-L394 WeakPolarHBondContact O-CA 3.43Å; A353-V395 PolarHBondContact O-N 3.49Å
354	F	98	Very high	97.3	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.035	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-105.1	144.8	-169.5	-67.6	-71.3	0	0	0	112.7	V56 N229 I231 A349 G351 M371 I375 L393 L394 V395	V56-F354 HydrophobicContact CG1-CB 4.2Å; V56-F354 HydrophobicContact CG2-CB 4.45Å; V56-F354 HydrophobicContact CG2-CD1 3.81Å; V56-F354 HydrophobicContact CG2-CE1 4.41Å; V56-F354 HydrophobicContact CG2-CG 4.32Å; N229-F354 HydrophobicContact CB-CD2 4.46Å; N229-F354 HydrophobicContact CB-CE2 4Å; I231-F354 HydrophobicContact CD1-CZ 4.1Å; I231-F354 HydrophobicContact CG1-CE2 4.17Å; I231-F354 HydrophobicContact CG1-CZ 3.82Å; A349-F354 HydrophobicContact CB-CD1 3.91Å; A349-F354 HydrophobicContact CB-CD2 3.82Å; A349-F354 HydrophobicContact CB-CE1 3.66Å; A349-F354 HydrophobicContact CB-CE2 3.54Å; A349-F354 HydrophobicContact CB-CG 3.99Å; A349-F354 HydrophobicContact CB-CZ 3.46Å; A349-F354 VanDerWaalsContact CB-CZ 3.46Å; G351-F354 PolarHBondContact O-N 3.19Å; F354-M371 HydrophobicContact CE1-SD 4.07Å; F354-I375 HydrophobicContact CE1-CD1 4.01Å; F354-I375 HydrophobicContact CE2-CD1 4.02Å; F354-I375 HydrophobicContact CZ-CD1 3.41Å; F354-I375 VanDerWaalsContact CZ-CD1 3.41Å; F354-L393 WeakPolarHBondContact CA-O 3.35Å; F354-L393 HydrophobicContact CD1-CB 4.24Å; F354-L393 HydrophobicContact CE1-CB 4.43Å; F354-L394 HydrophobicContact CD1-CD2 3.74Å; F354-L394 HydrophobicContact CE1-CD2 3.61Å; F354-L394 HydrophobicContact CZ-CD2 4.38Å; F354-V395 VanDerWaalsContact C-CG1 3.41Å; F354-V395 VanDerWaalsContact O-CG1 3.29Å; F354-V395 WeakPolarHBondContact O-CG1 3.45Å
355	H	96.1	Very high	97.3	Very high	66 Å²	66	41.2 Å²	41.2	31%	0.306	21%	0.21	S	C	.	.			trans	-63.4	157.7	169	-77.4	-67.5	0	0	0	111.1	G55 V56 C392 L393 L394	G55-H355 CarbonylContact C-O 3.59Å; V56-H355 HydrophobicContact CG1-CB 4.08Å; V56-H355 WeakPolarHBondContact CG1-O 3.44Å; H355-C392 PolarHBondContact CD2-O 3.2Å; H355-L393 PolarHBondContact N-O 2.99Å; H355-L394 PolarHBondContact NE2-O 3.24Å
356	R	95.2	Very high	97.3	Very high	168 Å²	168	41.2 Å²	41.2	63%	0.634	21%	0.21	S	C	*	.	S	Bend	trans	-98.9	137.2	173.4	-59.9	-175	177.7	-145.4	2.3	110.6	D54 G55 Y358	D54-R356 WeakPolarHBondContact OD1-CD 3.09Å; D54-R356 IonicContact OD1-CZ 2.79Å; D54-R356 VanDerWaalsContact OD1-CZ 3.31Å; D54-R356 IonicContact OD1-NE 3.2Å; D54-R356 IonicContact OD1-NH1 3.47Å; D54-R356 PolarHBondContact OD1-NH1 3.09Å; D54-R356 IonicContact OD2-NH1 3.92Å; G55-R356 CarbonylContact O-C 3.34Å; R356-Y358 PolarHBondContact O-N 3.48Å
357	G	93.9	Very high	97.3	Very high	43 Å²	43	41.2 Å²	41.2	44%	0.443	21%	0.21	S	C	.	.	S	Bend	trans	65.3	10.7	-179.7	0	0	0	0	0	115.9	E53 G55	E53-G357 PolarHBondContact O-N 3.23Å; G55-G357 WeakPolarHBondContact O-CA 3.39Å; G55-G357 PolarHBondContact O-N 3.42Å
358	Y	95.9	Very high	97.3	Very high	58 Å²	58	41.2 Å²	41.2	23%	0.227	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	134.7	-176.2	-179	-94.8	0	0	0	111.8	G55 V56 L57 R356 Q360 C392 L393	G55-Y358 PolarHBondContact O-N 2.84Å; V56-Y358 CarbonylContact C-O 3.51Å; V56-Y358 WeakPolarHBondContact CA-O 3.47Å; V56-Y358 HydrophobicContact CG1-CD1 4.39Å; L57-Y358 PolarHBondContact N-O 3.45Å; R356-Y358 PolarHBondContact O-N 3.48Å; Y358-Q360 HydrophobicContact CE1-CB 3.98Å; Y358-C392 WeakPolarHBondContact CD1-O 3.46Å; Y358-C392 HydrophobicContact CE1-CB 3.82Å; Y358-C392 VanDerWaalsContact CE1-O 3.24Å; Y358-C392 WeakPolarHBondContact CE1-O 2.94Å; Y358-C392 HydrophobicContact CE2-CB 4.31Å; Y358-C392 VanDerWaalsContact CZ-CB 3.5Å; Y358-C392 WeakPolarHBondContact OH-CB 3.33Å; Y358-L393 HydrophobicContact CD1-CD2 3.9Å; Y358-L393 HydrophobicContact CE1-CD2 3.91Å
359	K	96.9	Very high	97.3	Very high	107 Å²	107	41.2 Å²	41.2	47%	0.465	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.4	-177.4	-61	-175.4	-179.6	175.7	0	111.2	L57	L57-K359 HydrophobicContact CB-CG 4.35Å; L57-K359 CarbonylContact O-C 3.46Å; L57-K359 WeakPolarHBondContact O-CA 3.44Å
360	Q	95.6	Very high	97.3	Very high	25 Å²	25	41.5 Å²	41.5	12%	0.117	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	149.2	173	-174.3	166.8	-51.3	0	0	110.6	L57 V58 R59 Y358 R362 N389 L393	L57-Q360 PolarHBondContact O-N 3.45Å; V58-Q360 WeakPolarHBondContact CA-O 3.48Å; V58-Q360 HydrophobicContact CG2-CB 4.24Å; R59-Q360 PolarHBondContact N-O 3.32Å; Y358-Q360 HydrophobicContact CE1-CB 3.98Å; Q360-R362 PolarHBondContact NE2-O 3.29Å; Q360-N389 PolarHBondContact NE2-O 3.39Å; Q360-N389 PolarHBondContact OE1-O 2.9Å; Q360-L393 HydrophobicContact CB-CD2 4.26Å
361	S	96.6	Very high	97.3	Very high	78 Å²	78	41.3 Å²	41.3	55%	0.545	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-52.1	179.9	53	0	0	0	0	112.2	Q60	Q60-S361 PolarHBondContact N-O 3.37Å
362	R	96.6	Very high	97.4	Very high	138 Å²	138	40.8 Å²	40.8	52%	0.521	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	152.7	-171.3	-63	-171.5	174.4	-159.5	-2.6	113.6	Q60 Q360	Q60-R362 HydrophobicContact CB-CG 4.29Å; Q60-R362 VanDerWaalsContact O-CA 3.23Å; Q60-R362 WeakPolarHBondContact O-CA 3.44Å; Q60-R362 VanDerWaalsContact OE1-CZ 3.28Å; Q360-R362 PolarHBondContact NE2-O 3.29Å
363	M	97.3	Very high	97.4	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.03	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	169.8	163.6	76.5	-173.7	-71.3	0	0	109.2	V58 Q60 V61 T62 L347 D367 I368 A390 L393	V58-M363 HydrophobicContact CB-CG 4.46Å; V58-M363 HydrophobicContact CB-SD 4.22Å; V58-M363 HydrophobicContact CG1-CB 4.13Å; V58-M363 HydrophobicContact CG1-CG 3.82Å; V58-M363 HydrophobicContact CG1-SD 4.19Å; V58-M363 HydrophobicContact CG2-CG 4.42Å; V58-M363 HydrophobicContact CG2-SD 3.7Å; Q60-M363 PolarHBondContact O-N 3.12Å; V61-M363 CarbonylContact C-O 3.47Å; V61-M363 WeakPolarHBondContact CA-O 3.21Å; V61-M363 HydrophobicContact CG1-CG 4.36Å; V61-M363 HydrophobicContact CG2-CG 4.04Å; V61-M363 HydrophobicContact CG2-SD 4.47Å; T62-M363 PolarHBondContact N-O 3.26Å; L347-M363 HydrophobicContact CD1-SD 4.12Å; M363-D367 HydrophobicContact CE-CB 3.74Å; M363-I368 HydrophobicContact CE-CG1 3.76Å; M363-I368 HydrophobicContact SD-CG1 4.41Å; M363-A390 HydrophobicContact CE-CB 4.32Å; M363-L393 HydrophobicContact SD-CD1 4.37Å
364	N	98.4	Very high	97.4	Very high	56 Å²	56	39.3 Å²	39.3	30%	0.299	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	150.7	170.6	-50.1	-67.8	0	0	0	110.8	T62 V366 D367	T62-N364 CarbonylContact O-C 3.52Å; T62-N364 VanDerWaalsContact O-CA 3.31Å; T62-N364 WeakPolarHBondContact O-CA 3.4Å; N364-V366 VanDerWaalsContact C-N 3.25Å; N364-V366 HydrophobicContact CB-CG2 3.86Å; N364-V366 PolarHBondContact O-N 2.9Å; N364-D367 WeakPolarHBondContact CB-OD2 3.36Å; N364-D367 PolarHBondContact N-OD2 3.4Å; N364-D367 PolarHBondContact ND2-OD2 3.09Å; N364-D367 VanDerWaalsContact ND2-OD2 3.15Å; N364-D367 VanDerWaalsContact O-CB 3.27Å; N364-D367 WeakPolarHBondContact O-CB 3.49Å; N364-D367 PolarHBondContact O-N 2.86Å
365	N	98.3	Very high	97.4	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-60.9	-33.8	176.4	67	-17.5	0	0	0	112.3	V61 T62 T64 N72 I76 D367 I368	V61-N365 HydrophobicContact CG1-CB 3.8Å; T62-N365 PolarHBondContact O-N 3.23Å; T64-N365 VanDerWaalsContact CG2-OD1 3.25Å; T64-N365 WeakPolarHBondContact CG2-OD1 3.43Å; T64-N365 PolarHBondContact N-ND2 3.31Å; T64-N365 PolarHBondContact OG1-ND2 3.47Å; N72-N365 PolarHBondContact OD1-ND2 2.97Å; I76-N365 HydrophobicContact CG1-CB 4.16Å; N365-D367 PolarHBondContact O-N 3.27Å; N365-I368 HydrophobicContact CB-CD1 4.34Å; N365-I368 VanDerWaalsContact O-CB 3.23Å; N365-I368 WeakPolarHBondContact O-CB 3.4Å; N365-I368 VanDerWaalsContact O-CG1 3.27Å; N365-I368 WeakPolarHBondContact O-CG1 3.07Å; N365-I368 PolarHBondContact O-N 3.07Å
366	V	98.8	Very high	97.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-64.7	-21.3	175.9	-67	0	0	0	0	112.5	T64 Y81 N364 I368 P370 G385	T64-V366 HydrophobicContact CG2-CG1 3.83Å; Y81-V366 HydrophobicContact CD1-CG1 4.2Å; Y81-V366 HydrophobicContact CE1-CG1 4.13Å; Y81-V366 HydrophobicContact CE1-CG2 4.38Å; N364-V366 VanDerWaalsContact C-N 3.25Å; N364-V366 HydrophobicContact CB-CG2 3.86Å; N364-V366 PolarHBondContact O-N 2.9Å; V366-I368 PolarHBondContact O-N 3.07Å; V366-P370 WeakPolarHBondContact O-CD 3.46Å; V366-G385 WeakPolarHBondContact O-CA 3.43Å
367	D	98.8	Very high	97.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-74.5	-14.6	175.6	-55.3	-29.7	0	0	0	112	M363 N364 N365 P370 M371 T386 N389	M363-D367 HydrophobicContact CE-CB 3.74Å; N364-D367 WeakPolarHBondContact CB-OD2 3.36Å; N364-D367 PolarHBondContact N-OD2 3.4Å; N364-D367 PolarHBondContact ND2-OD2 3.09Å; N364-D367 VanDerWaalsContact ND2-OD2 3.15Å; N364-D367 VanDerWaalsContact O-CB 3.27Å; N364-D367 WeakPolarHBondContact O-CB 3.49Å; N364-D367 PolarHBondContact O-N 2.86Å; N365-D367 PolarHBondContact O-N 3.27Å; D367-P370 WeakPolarHBondContact O-CD 3.34Å; D367-P370 WeakPolarHBondContact O-CG 3.04Å; D367-M371 PolarHBondContact O-N 3.12Å; D367-T386 PolarHBondContact OD1-N 3.01Å; D367-N389 HydrophobicContact CB-CB 4.42Å; D367-N389 WeakPolarHBondContact OD2-CB 3.36Å; D367-N389 PolarHBondContact OD2-ND2 3.41Å
368	I	98.8	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-70.1	-43	-179.5	-58.6	171	0	0	0	110.5	V61 I76 L347 M363 N365 V366 M371 M372	V61-I368 HydrophobicContact CG1-CD1 4.39Å; I76-I368 HydrophobicContact CG1-CD1 4.28Å; I76-I368 HydrophobicContact CG2-CB 4.44Å; I76-I368 HydrophobicContact CG2-CD1 4.45Å; I76-I368 HydrophobicContact CG2-CG2 4.07Å; L347-I368 HydrophobicContact CD1-CD1 3.73Å; L347-I368 HydrophobicContact CD1-CG1 3.82Å; L347-I368 HydrophobicContact CD1-CG2 4.43Å; M363-I368 HydrophobicContact CE-CG1 3.76Å; M363-I368 HydrophobicContact SD-CG1 4.41Å; N365-I368 HydrophobicContact CB-CD1 4.34Å; N365-I368 VanDerWaalsContact O-CB 3.23Å; N365-I368 WeakPolarHBondContact O-CB 3.4Å; N365-I368 VanDerWaalsContact O-CG1 3.27Å; N365-I368 WeakPolarHBondContact O-CG1 3.07Å; N365-I368 PolarHBondContact O-N 3.07Å; V366-I368 PolarHBondContact O-N 3.07Å; I368-M371 HydrophobicContact CG2-CE 4.06Å; I368-M371 WeakPolarHBondContact O-CB 3.4Å; I368-M371 PolarHBondContact O-N 3.22Å; I368-M372 HydrophobicContact CG2-CE 4.08Å; I368-M372 HydrophobicContact CG2-CG 4.04Å; I368-M372 HydrophobicContact CG2-SD 4.13Å; I368-M372 VanDerWaalsContact O-CG 3.31Å; I368-M372 WeakPolarHBondContact O-CG 3.46Å; I368-M372 PolarHBondContact O-N 3.34Å
369	Y	98.9	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-54.4	-55.7	178.7	174.4	-101.7	0	0	0	114	V77 T78 G79 I118 M371 M372 C373 P380 Q381 H383	V77-Y369 WeakPolarHBondContact O-CD2 3.43Å; V77-Y369 WeakPolarHBondContact O-CE2 3.4Å; T78-Y369 VanDerWaalsContact C-CG 3.44Å; T78-Y369 WeakPolarHBondContact O-CD1 3.35Å; G79-Y369 VanDerWaalsContact N-CB 3.26Å; I118-Y369 HydrophobicContact CB-CD2 4.03Å; I118-Y369 HydrophobicContact CB-CE2 3.76Å; I118-Y369 HydrophobicContact CD1-CD2 4.39Å; I118-Y369 HydrophobicContact CD1-CE2 4.47Å; I118-Y369 HydrophobicContact CG1-CD2 4.48Å; I118-Y369 HydrophobicContact CG1-CE2 4.14Å; Y369-M371 VanDerWaalsContact C-N 3.25Å; Y369-M371 PolarHBondContact O-N 2.94Å; Y369-M372 PolarHBondContact O-N 2.86Å; Y369-M372 VanDerWaalsContact O-N 3.12Å; Y369-C373 VanDerWaalsContact CZ-SG 3.55Å; Y369-C373 PolarHBondContact O-N 3.05Å; Y369-C373 PolarHBondContact O-SG 3.3Å; Y369-P380 HydrophobicContact CE1-CB 3.84Å; Y369-Q381 WeakPolarHBondContact OH-CB 3.43Å; Y369-Q381 PolarHBondContact OH-N 3.14Å; Y369-H383 HydrophobicContact CD1-CB 3.92Å; Y369-H383 AromaticContact CD1-CD2 3.76Å; Y369-H383 AromaticContact CD1-CG 3.96Å; Y369-H383 HydrophobicContact CE1-CB 4.16Å; Y369-H383 AromaticContact CE1-CD2 3.76Å
370	P	98.7	Very high	97.7	Very high	6 Å²	6	31 Å²	31	4%	0.039	18%	0.18	C	C	.	.	H	α-helix	trans	-64.6	-30	178.8	23.7	-32.6	0	0	0	112.9	V366 D367 H374 F387	V366-P370 WeakPolarHBondContact O-CD 3.46Å; D367-P370 WeakPolarHBondContact O-CD 3.34Å; D367-P370 WeakPolarHBondContact O-CG 3.04Å; P370-H374 WeakPolarHBondContact O-CB 3.33Å; P370-H374 PolarHBondContact O-N 3.41Å; P370-F387 HydrophobicContact CB-CB 4.21Å
371	M	98.7	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-46.9	171.8	-179.7	-172.8	65	0	0	111.2	I231 L347 F354 D367 I368 Y369 H374 I375 A390 L393 L394	I231-M371 HydrophobicContact CD1-CE 3.62Å; L347-M371 HydrophobicContact CD1-CE 4.22Å; F354-M371 HydrophobicContact CE1-SD 4.07Å; D367-M371 PolarHBondContact O-N 3.12Å; I368-M371 HydrophobicContact CG2-CE 4.06Å; I368-M371 WeakPolarHBondContact O-CB 3.4Å; I368-M371 PolarHBondContact O-N 3.22Å; Y369-M371 VanDerWaalsContact C-N 3.25Å; Y369-M371 PolarHBondContact O-N 2.94Å; M371-H374 WeakPolarHBondContact O-CB 3.39Å; M371-H374 PolarHBondContact O-N 3.3Å; M371-I375 HydrophobicContact CG-CD1 4.06Å; M371-I375 WeakPolarHBondContact O-CG1 3.49Å; M371-I375 PolarHBondContact O-N 3.23Å; M371-A390 HydrophobicContact CB-CB 3.75Å; M371-A390 HydrophobicContact CG-CB 3.87Å; M371-A390 HydrophobicContact SD-CB 3.83Å; M371-L393 HydrophobicContact SD-CD1 3.74Å; M371-L394 HydrophobicContact CG-CD1 4.35Å; M371-L394 HydrophobicContact CG-CD2 4.39Å
372	M	98.8	Very high	97.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-42	177	-65.2	-166.8	-67.7	0	0	111.9	L27 L29 I76 I118 F178 I231 I368 Y369 H374 I375 L376	L27-M372 HydrophobicContact CD2-CB 3.6Å; L27-M372 HydrophobicContact CD2-CG 3.58Å; L27-M372 HydrophobicContact CD2-SD 3.92Å; L29-M372 HydrophobicContact CB-SD 4.38Å; L29-M372 HydrophobicContact CD1-SD 4.26Å; L29-M372 HydrophobicContact CD2-CE 4.17Å; L29-M372 HydrophobicContact CD2-SD 3.86Å; L29-M372 HydrophobicContact CG-SD 4.4Å; I76-M372 HydrophobicContact CG2-CE 4.43Å; I76-M372 VanDerWaalsContact O-CE 3.29Å; I76-M372 WeakPolarHBondContact O-CE 3.41Å; I118-M372 HydrophobicContact CD1-CB 3.41Å; I118-M372 VanDerWaalsContact CD1-CB 3.41Å; I118-M372 HydrophobicContact CD1-CE 4.01Å; I118-M372 HydrophobicContact CD1-CG 4.49Å; I118-M372 HydrophobicContact CD1-SD 4.42Å; I118-M372 HydrophobicContact CG2-CE 4.31Å; F178-M372 HydrophobicContact CE2-SD 4.1Å; I231-M372 HydrophobicContact CD1-CG 3.94Å; I231-M372 HydrophobicContact CD1-SD 4.42Å; I368-M372 HydrophobicContact CG2-CE 4.08Å; I368-M372 HydrophobicContact CG2-CG 4.04Å; I368-M372 HydrophobicContact CG2-SD 4.13Å; I368-M372 VanDerWaalsContact O-CG 3.31Å; I368-M372 WeakPolarHBondContact O-CG 3.46Å; I368-M372 PolarHBondContact O-N 3.34Å; Y369-M372 PolarHBondContact O-N 2.86Å; Y369-M372 VanDerWaalsContact O-N 3.12Å; M372-H374 VanDerWaalsContact C-N 3.33Å; M372-H374 PolarHBondContact O-N 2.89Å; M372-I375 PolarHBondContact O-N 2.83Å; M372-L376 WeakPolarHBondContact O-CB 3.38Å; M372-L376 WeakPolarHBondContact O-CG 3.36Å; M372-L376 PolarHBondContact O-N 3.38Å
373	C	98.4	Very high	98	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-59.3	-43.5	173.9	-71.8	0	0	0	0	111.6	Y369 L376 G377 L378 P380	Y369-C373 VanDerWaalsContact CZ-SG 3.55Å; Y369-C373 PolarHBondContact O-N 3.05Å; Y369-C373 PolarHBondContact O-SG 3.3Å; C373-L376 CarbonylContact O-C 3.56Å; C373-L376 PolarHBondContact O-N 3.07Å; C373-G377 PolarHBondContact O-N 2.85Å; C373-L378 HydrophobicContact CB-CB 4.23Å; C373-L378 PolarHBondContact O-N 3.44Å; C373-P380 HydrophobicContact CB-CB 4.01Å
374	H	97.8	Very high	98.1	Very high	60 Å²	60	32.9 Å²	32.9	28%	0.278	20%	0.198	S	C	.	.	H	α-helix	trans	-60.6	-50.4	175.9	179.6	88.9	0	0	0	111.9	P370 M371 M372 L376 G377 F387 L394 D396 Q397	P370-H374 WeakPolarHBondContact O-CB 3.33Å; P370-H374 PolarHBondContact O-N 3.41Å; M371-H374 WeakPolarHBondContact O-CB 3.39Å; M371-H374 PolarHBondContact O-N 3.3Å; M372-H374 VanDerWaalsContact C-N 3.33Å; M372-H374 PolarHBondContact O-N 2.89Å; H374-L376 PolarHBondContact O-N 3.46Å; H374-G377 PolarHBondContact O-N 3.11Å; H374-F387 HydrophobicContact CB-CD2 4.36Å; H374-F387 HydrophobicContact CB-CE2 3.59Å; H374-F387 HydrophobicContact CB-CZ 3.81Å; H374-F387 AromaticContact CD2-CZ 3.85Å; H374-F387 AromaticContact CE1-CZ 3.89Å; H374-F387 AromaticContact CG-CE2 3.7Å; H374-F387 AromaticContact CG-CZ 3.38Å; H374-F387 AromaticContact ND1-CE1 3.88Å; H374-F387 AromaticContact ND1-CZ 3.43Å; H374-F387 WeakPolarHBondContact ND1-CZ 3.42Å; H374-L394 VanDerWaalsContact CD2-CD1 3.47Å; H374-L394 WeakPolarHBondContact CD2-CD1 3.38Å; H374-D396 IonicContact CD2-OD2 3.9Å; H374-D396 IonicContact CE1-OD2 3.89Å; H374-D396 PolarHBondContact CE1-OD2 3.08Å; H374-D396 IonicContact NE2-OD1 3.97Å; H374-D396 PolarHBondContact NE2-OD1 3.13Å; H374-D396 IonicContact NE2-OD2 3.12Å; H374-D396 PolarHBondContact NE2-OD2 3.33Å; H374-Q397 PolarHBondContact CE1-NE2 2.91Å; H374-Q397 VanDerWaalsContact CE1-NE2 3.29Å; H374-Q397 PolarHBondContact NE2-NE2 3.42Å
375	I	98.1	Very high	98	Very high	13 Å²	13	30.7 Å²	30.7	7%	0.067	19%	0.188	C	C	.	.	H	α-helix	trans	-56.6	-40.4	178.8	-69.1	165.5	0	0	0	111.3	S25 L27 N229 A353 F354 M371 M372 G377 L394	S25-I375 WeakPolarHBondContact CB-O 3.32Å; S25-I375 PolarHBondContact OG-O 2.94Å; L27-I375 HydrophobicContact CD1-CD1 4.49Å; L27-I375 HydrophobicContact CD1-CG2 4.47Å; N229-I375 HydrophobicContact CB-CG2 4.2Å; N229-I375 WeakPolarHBondContact ND2-CG2 3.19Å; A353-I375 HydrophobicContact CB-CG1 4.02Å; A353-I375 HydrophobicContact CB-CG2 4.06Å; F354-I375 HydrophobicContact CE1-CD1 4.01Å; F354-I375 HydrophobicContact CE2-CD1 4.02Å; F354-I375 HydrophobicContact CZ-CD1 3.41Å; F354-I375 VanDerWaalsContact CZ-CD1 3.41Å; M371-I375 HydrophobicContact CG-CD1 4.06Å; M371-I375 WeakPolarHBondContact O-CG1 3.49Å; M371-I375 PolarHBondContact O-N 3.23Å; M372-I375 PolarHBondContact O-N 2.83Å; I375-G377 VanDerWaalsContact C-N 3.34Å; I375-L394 HydrophobicContact CD1-CD2 3.94Å; I375-L394 HydrophobicContact CG1-CD1 4.49Å; I375-L394 HydrophobicContact CG1-CD2 3.89Å
376	L	97.4	Very high	98	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-81.2	-12.7	179.2	-67.1	171.3	0	0	0	112.6	S25 L27 I118 R127 S177 F178 M372 C373 H374 L378	S25-L376 WeakPolarHBondContact O-CD2 3.39Å; L27-L376 HydrophobicContact CB-CD2 3.78Å; L27-L376 HydrophobicContact CB-CG 4.19Å; L27-L376 HydrophobicContact CD2-CD1 4.21Å; L27-L376 HydrophobicContact CD2-CG 4.29Å; I118-L376 HydrophobicContact CD1-CD1 4.1Å; R127-L376 PolarHBondContact NH1-O 3.4Å; R127-L376 PolarHBondContact NH2-O 2.8Å; S177-L376 VanDerWaalsContact O-CD2 3.3Å; S177-L376 WeakPolarHBondContact O-CD2 3.44Å; F178-L376 HydrophobicContact CB-CD1 4.08Å; F178-L376 HydrophobicContact CD2-CD1 3.88Å; F178-L376 HydrophobicContact CG-CD1 4.22Å; M372-L376 WeakPolarHBondContact O-CB 3.38Å; M372-L376 WeakPolarHBondContact O-CG 3.36Å; M372-L376 PolarHBondContact O-N 3.38Å; C373-L376 CarbonylContact O-C 3.56Å; C373-L376 PolarHBondContact O-N 3.07Å; H374-L376 PolarHBondContact O-N 3.46Å; L376-L378 VanDerWaalsContact C-N 3.33Å; L376-L378 HydrophobicContact CB-CD1 3.93Å; L376-L378 HydrophobicContact CB-CG 3.75Å; L376-L378 HydrophobicContact CD1-CD1 3.78Å
377	G	96.1	Very high	97.9	Very high	57 Å²	57	35.5 Å²	35.5	59%	0.588	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	38.5	-170.4	0	0	0	0	0	112.6	C373 H374 I375	C373-G377 PolarHBondContact O-N 2.85Å; H374-G377 PolarHBondContact O-N 3.11Å; I375-G377 VanDerWaalsContact C-N 3.34Å
378	L	96.3	Very high	97.7	Very high	19 Å²	19	44.4 Å²	44.4	10%	0.099	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-93.5	145.3	172.6	-61.9	175.5	0	0	0	109.8	I118 T121 N122 C373 L376 P380	I118-L378 HydrophobicContact CG1-CD1 4.15Å; T121-L378 HydrophobicContact CG2-CD1 4.46Å; N122-L378 HydrophobicContact CB-CD1 3.95Å; C373-L378 HydrophobicContact CB-CB 4.23Å; C373-L378 PolarHBondContact O-N 3.44Å; L376-L378 VanDerWaalsContact C-N 3.33Å; L376-L378 HydrophobicContact CB-CD1 3.93Å; L376-L378 HydrophobicContact CB-CG 3.75Å; L376-L378 HydrophobicContact CD1-CD1 3.78Å; L378-P380 WeakPolarHBondContact O-CD 3.48Å
379	T	96.2	Very high	97.6	Very high	123 Å²	123	46.9 Å²	46.9	76%	0.755	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-74.5	119	164.1	-59.1	0	0	0	0	107.9
380	P	97.3	Very high	97.5	Very high	57 Å²	57	46.9 Å²	46.9	37%	0.37	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-69.9	145.8	-178.8	29.7	-34.7	0	0	0	110.9	Y369 C373 L378	Y369-P380 HydrophobicContact CE1-CB 3.84Å; C373-P380 HydrophobicContact CB-CB 4.01Å; L378-P380 WeakPolarHBondContact O-CD 3.48Å
381	Q	98	Very high	97.3	Very high	61 Å²	61	50.1 Å²	50.1	29%	0.285	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-68.1	162.1	165.9	-63.8	-69	-20.3	0	0	109.9	V116 T121 Y369 H383	V116-Q381 HydrophobicContact CB-CG 4Å; V116-Q381 HydrophobicContact CG1-CG 4.06Å; T121-Q381 HydrophobicContact CG2-CG 4.42Å; Y369-Q381 WeakPolarHBondContact OH-CB 3.43Å; Y369-Q381 PolarHBondContact OH-N 3.14Å; Q381-H383 PolarHBondContact O-CD2 3.29Å; Q381-H383 PolarHBondContact O-N 3.08Å
382	P	98.3	Very high	97.1	Very high	112 Å²	112	51.3 Å²	51.3	73%	0.727	28%	0.282	S	S	*	.	S	Bend	trans	-53.1	127.8	173.1	-25.9	35.4	0	0	0	111.5
383	H	98.6	Very high	97	Very high	56 Å²	56	51.3 Å²	51.3	26%	0.259	28%	0.282	S	S	.	.			trans	-144.9	167.6	-174.4	63.9	70.2	0	0	0	111.5	Y369 Q381 G385	Y369-H383 HydrophobicContact CD1-CB 3.92Å; Y369-H383 AromaticContact CD1-CD2 3.76Å; Y369-H383 AromaticContact CD1-CG 3.96Å; Y369-H383 HydrophobicContact CE1-CB 4.16Å; Y369-H383 AromaticContact CE1-CD2 3.76Å; Q381-H383 PolarHBondContact O-CD2 3.29Å; Q381-H383 PolarHBondContact O-N 3.08Å; H383-G385 PolarHBondContact CE1-O 3.49Å; H383-G385 PolarHBondContact ND1-N 3.33Å; H383-G385 VanDerWaalsContact ND1-N 3.15Å; H383-G385 PolarHBondContact ND1-O 3.07Å
384	N	98.6	Very high	96.9	Very high	59 Å²	59	51.3 Å²	51.3	32%	0.316	28%	0.282	S	S	.	.	S	Bend	trans	-93.2	-14.3	175.3	-56	116.9	0	0	0	113.3	G79 L80 Y81	G79-N384 WeakPolarHBondContact O-CA 3.19Å; G79-N384 PolarHBondContact O-N 3.02Å; L80-N384 WeakPolarHBondContact CA-OD1 3.19Å; L80-N384 WeakPolarHBondContact CD2-OD1 3.23Å; Y81-N384 HydrophobicContact CD2-CB 3.63Å; Y81-N384 WeakPolarHBondContact CD2-OD1 3.25Å; Y81-N384 HydrophobicContact CE2-CB 3.47Å; Y81-N384 VanDerWaalsContact CE2-CB 3.47Å; Y81-N384 HydrophobicContact CG-CB 4.45Å; Y81-N384 PolarHBondContact N-OD1 3.48Å
385	G	98.1	Very high	96.8	Very high	9 Å²	9	52 Å²	52	9%	0.093	29%	0.29	C	S	.	.			trans	-59.7	149.7	178.3	0	0	0	0	0	115.2	G79 V366 H383	G79-G385 PolarHBondContact O-N 3.4Å; V366-G385 WeakPolarHBondContact O-CA 3.43Å; H383-G385 PolarHBondContact CE1-O 3.49Å; H383-G385 PolarHBondContact ND1-N 3.33Å; H383-G385 VanDerWaalsContact ND1-N 3.15Å; H383-G385 PolarHBondContact ND1-O 3.07Å
386	T	97.7	Very high	96.5	Very high	61 Å²	61	56.1 Å²	56.1	37%	0.374	31%	0.312	S	S	.	.			trans	-113.4	99.7	175.8	-63.4	0	0	0	0	110.4	D367 R388 N389	D367-T386 PolarHBondContact OD1-N 3.01Å; T386-R388 HydrophobicContact CG2-CB 4.09Å; T386-R388 PolarHBondContact O-N 3.43Å; T386-N389 WeakPolarHBondContact O-CB 3.28Å; T386-N389 PolarHBondContact O-N 2.88Å
387	F	96.6	Very high	96.2	Very high	45 Å²	45	57.7 Å²	57.7	20%	0.197	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-53.8	-32.3	-178.2	179.3	-123	0	0	0	114	P370 H374 N389 A390 K391 L394 Q397	P370-F387 HydrophobicContact CB-CB 4.21Å; H374-F387 HydrophobicContact CB-CD2 4.36Å; H374-F387 HydrophobicContact CB-CE2 3.59Å; H374-F387 HydrophobicContact CB-CZ 3.81Å; H374-F387 AromaticContact CD2-CZ 3.85Å; H374-F387 AromaticContact CE1-CZ 3.89Å; H374-F387 AromaticContact CG-CE2 3.7Å; H374-F387 AromaticContact CG-CZ 3.38Å; H374-F387 AromaticContact ND1-CE1 3.88Å; H374-F387 AromaticContact ND1-CZ 3.43Å; H374-F387 WeakPolarHBondContact ND1-CZ 3.42Å; F387-N389 PolarHBondContact O-N 3.26Å; F387-N389 VanDerWaalsContact O-N 3.08Å; F387-A390 PolarHBondContact O-N 2.85Å; F387-K391 HydrophobicContact CD1-CD 4.49Å; F387-K391 HydrophobicContact CD1-CG 4.04Å; F387-K391 HydrophobicContact CE1-CD 4.33Å; F387-K391 HydrophobicContact CE1-CG 3.77Å; F387-K391 HydrophobicContact CZ-CG 4.12Å; F387-K391 PolarHBondContact O-N 3Å; F387-L394 HydrophobicContact CE2-CD1 3.91Å; F387-L394 HydrophobicContact CZ-CD1 4.02Å; F387-Q397 HydrophobicContact CZ-CG 4.22Å
388	R	95.3	Very high	95.4	Very high	189 Å²	189	65.8 Å²	65.8	71%	0.713	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-54	-31.3	177.7	-175	173.5	64.2	178.3	-1.8	112.9	T386 A390 K391	T386-R388 HydrophobicContact CG2-CB 4.09Å; T386-R388 PolarHBondContact O-N 3.43Å; R388-A390 PolarHBondContact O-N 3.43Å; R388-K391 PolarHBondContact O-N 2.87Å
389	N	96.1	Very high	94.3	Very high	51 Å²	51	66.8 Å²	66.8	27%	0.273	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-72	-16.4	-179.8	-61.9	-12.4	0	0	0	113	Q360 D367 T386 F387	Q360-N389 PolarHBondContact NE2-O 3.39Å; Q360-N389 PolarHBondContact OE1-O 2.9Å; D367-N389 HydrophobicContact CB-CB 4.42Å; D367-N389 WeakPolarHBondContact OD2-CB 3.36Å; D367-N389 PolarHBondContact OD2-ND2 3.41Å; T386-N389 WeakPolarHBondContact O-CB 3.28Å; T386-N389 PolarHBondContact O-N 2.88Å; F387-N389 PolarHBondContact O-N 3.26Å; F387-N389 VanDerWaalsContact O-N 3.08Å
390	A	95.9	Very high	92.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-9.4	179.2	0	0	0	0	0	113.3	M363 M371 F387 R388 C392 L393	M363-A390 HydrophobicContact CE-CB 4.32Å; M371-A390 HydrophobicContact CB-CB 3.75Å; M371-A390 HydrophobicContact CG-CB 3.87Å; M371-A390 HydrophobicContact SD-CB 3.83Å; F387-A390 PolarHBondContact O-N 2.85Å; R388-A390 PolarHBondContact O-N 3.43Å; A390-C392 VanDerWaalsContact C-N 3.29Å; A390-C392 PolarHBondContact O-N 3.26Å; A390-L393 HydrophobicContact CB-CD1 4.27Å; A390-L393 VanDerWaalsContact O-CB 3.26Å; A390-L393 WeakPolarHBondContact O-CB 3.32Å; A390-L393 WeakPolarHBondContact O-CG 3.49Å; A390-L393 PolarHBondContact O-N 3.44Å
391	K	94.6	Very high	91.4	Very high	75 Å²	75	66 Å²	66	33%	0.326	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-53.5	-44.6	-174.9	-78.8	-172.2	174.6	-161.2	0	112.9	F387 R388 L393 L394 Q397	F387-K391 HydrophobicContact CD1-CD 4.49Å; F387-K391 HydrophobicContact CD1-CG 4.04Å; F387-K391 HydrophobicContact CE1-CD 4.33Å; F387-K391 HydrophobicContact CE1-CG 3.77Å; F387-K391 HydrophobicContact CZ-CG 4.12Å; F387-K391 PolarHBondContact O-N 3Å; R388-K391 PolarHBondContact O-N 2.87Å; K391-L393 PolarHBondContact O-N 2.85Å; K391-L393 VanDerWaalsContact O-N 3.07Å; K391-L394 PolarHBondContact O-N 3.29Å; K391-Q397 HydrophobicContact CB-CB 4.02Å; K391-Q397 HydrophobicContact CB-CG 4.15Å; K391-Q397 HydrophobicContact CG-CB 4.39Å; K391-Q397 HydrophobicContact CG-CG 4.08Å; K391-Q397 VanDerWaalsContact O-CB 3.25Å; K391-Q397 WeakPolarHBondContact O-CB 3.27Å
392	C	94.4	Very high	89.9	Confident	24 Å²	24	69.3 Å²	69.3	16%	0.162	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-71	-6.3	-175.6	-50.6	0	0	0	0	114.3	H355 Y358 A390 L394 C399	H355-C392 PolarHBondContact CD2-O 3.2Å; Y358-C392 WeakPolarHBondContact CD1-O 3.46Å; Y358-C392 HydrophobicContact CE1-CB 3.82Å; Y358-C392 VanDerWaalsContact CE1-O 3.24Å; Y358-C392 WeakPolarHBondContact CE1-O 2.94Å; Y358-C392 HydrophobicContact CE2-CB 4.31Å; Y358-C392 VanDerWaalsContact CZ-CB 3.5Å; Y358-C392 WeakPolarHBondContact OH-CB 3.33Å; A390-C392 VanDerWaalsContact C-N 3.29Å; A390-C392 PolarHBondContact O-N 3.26Å; C392-L394 VanDerWaalsContact C-N 3.33Å; C392-C399 WeakPolarHBondContact CA-SG 3.44Å; C392-C399 HydrophobicContact CB-CB 3.67Å; C392-C399 WeakPolarHBondContact CB-SG 3.2Å; C392-C399 PolarHBondContact N-SG 3.15Å; C392-C399 VanDerWaalsContact N-SG 3.35Å; C392-C399 WeakPolarHBondContact SG-CB 3.49Å; C392-C399 CovalentContact SG-SG 2.02Å; C392-C399 PolarHBondContact SG-SG 2.87Å
393	L	96.9	Very high	88.6	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-79	-22.2	172	-53.6	176.6	0	0	0	111.4	V56 V58 F354 H355 Y358 Q360 M363 M371 A390 K391	V56-L393 HydrophobicContact CB-CD2 4.13Å; V56-L393 HydrophobicContact CG2-CB 4.3Å; V56-L393 HydrophobicContact CG2-CD2 4.1Å; V58-L393 HydrophobicContact CG2-CD1 3.89Å; V58-L393 HydrophobicContact CG2-CD2 3.84Å; F354-L393 WeakPolarHBondContact CA-O 3.35Å; F354-L393 HydrophobicContact CD1-CB 4.24Å; F354-L393 HydrophobicContact CE1-CB 4.43Å; H355-L393 PolarHBondContact N-O 2.99Å; Y358-L393 HydrophobicContact CD1-CD2 3.9Å; Y358-L393 HydrophobicContact CE1-CD2 3.91Å; Q360-L393 HydrophobicContact CB-CD2 4.26Å; M363-L393 HydrophobicContact SD-CD1 4.37Å; M371-L393 HydrophobicContact SD-CD1 3.74Å; A390-L393 HydrophobicContact CB-CD1 4.27Å; A390-L393 VanDerWaalsContact O-CB 3.26Å; A390-L393 WeakPolarHBondContact O-CB 3.32Å; A390-L393 WeakPolarHBondContact O-CG 3.49Å; A390-L393 PolarHBondContact O-N 3.44Å; K391-L393 PolarHBondContact O-N 2.85Å; K391-L393 VanDerWaalsContact O-N 3.07Å
394	L	97.4	Very high	87.3	Confident	1 Å²	1	71 Å²	71	1%	0.005	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-108.2	135.7	-165.6	-55.2	179.3	0	0	0	113.1	A353 F354 H355 M371 H374 I375 F387 K391 C392 D396 Q397	A353-L394 HydrophobicContact CB-CD2 4.42Å; A353-L394 CarbonylContact O-C 3.58Å; A353-L394 WeakPolarHBondContact O-CA 3.43Å; F354-L394 HydrophobicContact CD1-CD2 3.74Å; F354-L394 HydrophobicContact CE1-CD2 3.61Å; F354-L394 HydrophobicContact CZ-CD2 4.38Å; H355-L394 PolarHBondContact NE2-O 3.24Å; M371-L394 HydrophobicContact CG-CD1 4.35Å; M371-L394 HydrophobicContact CG-CD2 4.39Å; H374-L394 VanDerWaalsContact CD2-CD1 3.47Å; H374-L394 WeakPolarHBondContact CD2-CD1 3.38Å; I375-L394 HydrophobicContact CD1-CD2 3.94Å; I375-L394 HydrophobicContact CG1-CD1 4.49Å; I375-L394 HydrophobicContact CG1-CD2 3.89Å; F387-L394 HydrophobicContact CE2-CD1 3.91Å; F387-L394 HydrophobicContact CZ-CD1 4.02Å; K391-L394 PolarHBondContact O-N 3.29Å; C392-L394 VanDerWaalsContact C-N 3.33Å; L394-D396 VanDerWaalsContact C-N 3.3Å; L394-D396 PolarHBondContact O-N 3.3Å; L394-Q397 HydrophobicContact CB-CB 4.42Å; L394-Q397 HydrophobicContact CB-CG 3.98Å; L394-Q397 HydrophobicContact CD1-CG 4.31Å; L394-Q397 PolarHBondContact O-N 2.9Å
395	V	95.3	Very high	86.2	Confident	74 Å²	74	69.7 Å²	69.7	45%	0.448	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.8	-175.2	-59.6	0	0	0	0	114.6	P352 A353 F354 Q397	P352-V395 WeakPolarHBondContact O-CG2 3.39Å; A353-V395 PolarHBondContact O-N 3.49Å; F354-V395 VanDerWaalsContact C-CG1 3.41Å; F354-V395 VanDerWaalsContact O-CG1 3.29Å; F354-V395 WeakPolarHBondContact O-CG1 3.45Å; V395-Q397 VanDerWaalsContact C-N 3.29Å
396	D	92.3	Very high	85.3	Confident	101 Å²	101	73.3 Å²	73.3	54%	0.54	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.4	179.4	76.4	-20.6	0	0	0	112.6	H374 L394	H374-D396 IonicContact CD2-OD2 3.9Å; H374-D396 IonicContact CE1-OD2 3.89Å; H374-D396 PolarHBondContact CE1-OD2 3.08Å; H374-D396 IonicContact NE2-OD1 3.97Å; H374-D396 PolarHBondContact NE2-OD1 3.13Å; H374-D396 IonicContact NE2-OD2 3.12Å; H374-D396 PolarHBondContact NE2-OD2 3.33Å; L394-D396 VanDerWaalsContact C-N 3.3Å; L394-D396 PolarHBondContact O-N 3.3Å
397	Q	90.7	Very high	84.7	Confident	37 Å²	37	72.3 Å²	72.3	17%	0.173	37%	0.369	C	S	.	.	S	Bend	trans	-106.5	141.7	176.4	-59.9	-53.5	-66.4	0	0	110.4	H374 F387 K391 L394 V395	H374-Q397 PolarHBondContact CE1-NE2 2.91Å; H374-Q397 VanDerWaalsContact CE1-NE2 3.29Å; H374-Q397 PolarHBondContact NE2-NE2 3.42Å; F387-Q397 HydrophobicContact CZ-CG 4.22Å; K391-Q397 HydrophobicContact CB-CB 4.02Å; K391-Q397 HydrophobicContact CB-CG 4.15Å; K391-Q397 HydrophobicContact CG-CB 4.39Å; K391-Q397 HydrophobicContact CG-CG 4.08Å; K391-Q397 VanDerWaalsContact O-CB 3.25Å; K391-Q397 WeakPolarHBondContact O-CB 3.27Å; L394-Q397 HydrophobicContact CB-CB 4.42Å; L394-Q397 HydrophobicContact CB-CG 3.98Å; L394-Q397 HydrophobicContact CD1-CG 4.31Å; L394-Q397 PolarHBondContact O-N 2.9Å; V395-Q397 VanDerWaalsContact C-N 3.29Å
398	W	78.3	Confident	84.3	Confident	227 Å²	227	75.4 Å²	75.4	86%	0.86	39%	0.387	S	S	*	.			trans	-91.6	122.7	175.2	-146.4	-27.4	0	0	0	110.1
399	C	72.8	Confident	84	Confident	40 Å²	40	70.4 Å²	70.4	27%	0.27	38%	0.377	S	S	.	.			trans	-117.7	111.7	164.9	-80.5	0	0	0	0	109.9	C392	C392-C399 WeakPolarHBondContact CA-SG 3.44Å; C392-C399 HydrophobicContact CB-CB 3.67Å; C392-C399 WeakPolarHBondContact CB-SG 3.2Å; C392-C399 PolarHBondContact N-SG 3.15Å; C392-C399 VanDerWaalsContact N-SG 3.35Å; C392-C399 WeakPolarHBondContact SG-CB 3.49Å; C392-C399 CovalentContact SG-SG 2.02Å; C392-C399 PolarHBondContact SG-SG 2.87Å
400	I	66.3	Low	83.9	Confident	84 Å²	84	72.2 Å²	72.2	43%	0.431	39%	0.386	S	S	.	.			trans	-95.9	117.8	169.4	-52.3	175.9	0	0	0	106.1	E404 A405 I408	I400-E404 HydrophobicContact CG2-CB 3.89Å; I400-A405 HydrophobicContact CG2-CB 3.61Å; I400-A405 VanDerWaalsContact CG2-N 3.3Å; I400-I408 HydrophobicContact CG2-CD1 4.37Å
401	N	66.3	Low	83.7	Confident	80 Å²	80	73.7 Å²	73.7	43%	0.428	40%	0.401	S	S	.	.			trans	-71.3	146.5	171.9	-70.5	-44.7	0	0	0	109.3	P403 E404 A405	N401-P403 VanDerWaalsContact C-N 3.26Å; N401-P403 VanDerWaalsContact O-N 3.1Å; N401-E404 PolarHBondContact N-OE2 3.44Å; N401-E404 VanDerWaalsContact N-OE2 3.15Å; N401-E404 WeakPolarHBondContact O-CA 3.14Å; N401-E404 WeakPolarHBondContact O-CB 3.37Å; N401-E404 PolarHBondContact O-N 3.47Å; N401-A405 PolarHBondContact O-N 2.77Å
402	L	67.2	Low	83.7	Confident	130 Å²	130	72.5 Å²	72.5	68%	0.681	41%	0.405	S	S	*	.	H	α-helix	trans	-48.7	-40.8	-178.2	-178.1	65.3	0	0	0	113.6	E404 A405 I406	L402-E404 PolarHBondContact O-N 3.35Å; L402-A405 PolarHBondContact O-N 2.82Å; L402-I406 HydrophobicContact CD1-CD1 4.15Å; L402-I406 HydrophobicContact CD1-CG1 4.32Å; L402-I406 HydrophobicContact CG-CD1 3.86Å; L402-I406 HydrophobicContact CG-CG1 4.46Å; L402-I406 WeakPolarHBondContact O-CB 3.5Å; L402-I406 WeakPolarHBondContact O-CD1 3.36Å; L402-I406 WeakPolarHBondContact O-CG1 2.99Å; L402-I406 PolarHBondContact O-N 2.84Å
403	P	71.3	Confident	83.7	Confident	99 Å²	99	76.1 Å²	76.1	64%	0.643	42%	0.422	S	S	*	.	H	α-helix	trans	-64.2	-36.9	174.6	-22.5	35.3	0	0	0	114.1	N401 I406 G407	N401-P403 VanDerWaalsContact C-N 3.26Å; N401-P403 VanDerWaalsContact O-N 3.1Å; P403-I406 PolarHBondContact O-N 2.93Å; P403-G407 PolarHBondContact O-N 2.87Å
404	E	70.8	Confident	83.7	Confident	104 Å²	104	80.7 Å²	80.7	49%	0.486	45%	0.446	S	S	.	.	H	α-helix	trans	-70.1	-40.4	175.8	-68.8	168.9	167.4	0	0	110.8	I400 N401 L402 I406 G407 I408	I400-E404 HydrophobicContact CG2-CB 3.89Å; N401-E404 PolarHBondContact N-OE2 3.44Å; N401-E404 VanDerWaalsContact N-OE2 3.15Å; N401-E404 WeakPolarHBondContact O-CA 3.14Å; N401-E404 WeakPolarHBondContact O-CB 3.37Å; N401-E404 PolarHBondContact O-N 3.47Å; L402-E404 PolarHBondContact O-N 3.35Å; E404-I406 VanDerWaalsContact C-N 3.35Å; E404-I406 PolarHBondContact O-N 3.5Å; E404-G407 PolarHBondContact O-N 3.28Å; E404-I408 WeakPolarHBondContact O-CB 3.46Å; E404-I408 WeakPolarHBondContact O-CG1 2.94Å; E404-I408 PolarHBondContact O-N 3.14Å
405	A	75.2	Confident	83.6	Confident	32 Å²	32	84.9 Å²	84.9	26%	0.264	47%	0.471	S	S	.	.	H	α-helix	trans	-60.6	-46.5	173.8	0	0	0	0	0	110.7	I400 N401 L402 G407 I408 V409	I400-A405 HydrophobicContact CG2-CB 3.61Å; I400-A405 VanDerWaalsContact CG2-N 3.3Å; N401-A405 PolarHBondContact O-N 2.77Å; L402-A405 PolarHBondContact O-N 2.82Å; A405-G407 VanDerWaalsContact C-N 3.34Å; A405-G407 PolarHBondContact O-N 2.89Å; A405-I408 PolarHBondContact O-N 3.23Å; A405-V409 WeakPolarHBondContact O-CB 3.48Å; A405-V409 WeakPolarHBondContact O-CG2 3.42Å; A405-V409 PolarHBondContact O-N 3.29Å
406	I	80.1	Confident	83.5	Confident	85 Å²	85	86.6 Å²	86.6	44%	0.436	48%	0.478	S	S	.	.	H	α-helix	trans	-59.9	-45.5	174.8	-70	166	0	0	0	110.2	L402 P403 E404 V409 I410	L402-I406 HydrophobicContact CD1-CD1 4.15Å; L402-I406 HydrophobicContact CD1-CG1 4.32Å; L402-I406 HydrophobicContact CG-CD1 3.86Å; L402-I406 HydrophobicContact CG-CG1 4.46Å; L402-I406 WeakPolarHBondContact O-CB 3.5Å; L402-I406 WeakPolarHBondContact O-CD1 3.36Å; L402-I406 WeakPolarHBondContact O-CG1 2.99Å; L402-I406 PolarHBondContact O-N 2.84Å; P403-I406 PolarHBondContact O-N 2.93Å; E404-I406 VanDerWaalsContact C-N 3.35Å; E404-I406 PolarHBondContact O-N 3.5Å; I406-V409 PolarHBondContact O-N 3.41Å; I406-I410 HydrophobicContact CG2-CD1 3.53Å; I406-I410 HydrophobicContact CG2-CG1 4.21Å; I406-I410 WeakPolarHBondContact O-CB 3.38Å; I406-I410 VanDerWaalsContact O-CG1 3.24Å; I406-I410 WeakPolarHBondContact O-CG1 3.14Å; I406-I410 PolarHBondContact O-N 3.04Å
407	G	86.1	Confident	83.6	Confident	41 Å²	41	85.7 Å²	85.7	42%	0.423	48%	0.476	S	S	.	.	H	α-helix	trans	-61.1	-44.4	177.8	0	0	0	0	0	113.2	P403 E404 A405 I410 G411	P403-G407 PolarHBondContact O-N 2.87Å; E404-G407 PolarHBondContact O-N 3.28Å; A405-G407 VanDerWaalsContact C-N 3.34Å; A405-G407 PolarHBondContact O-N 2.89Å; G407-I410 PolarHBondContact O-N 2.97Å; G407-G411 PolarHBondContact O-N 3.08Å
408	I	86.6	Confident	83.8	Confident	109 Å²	109	87.3 Å²	87.3	56%	0.559	49%	0.488	S	S	*	.	H	α-helix	trans	-62.6	-45.5	175.8	-69.1	163.8	0	0	0	110.3	I400 E404 A405 G411 A412	I400-I408 HydrophobicContact CG2-CD1 4.37Å; E404-I408 WeakPolarHBondContact O-CB 3.46Å; E404-I408 WeakPolarHBondContact O-CG1 2.94Å; E404-I408 PolarHBondContact O-N 3.14Å; A405-I408 PolarHBondContact O-N 3.23Å; I408-G411 PolarHBondContact O-N 3.47Å; I408-A412 VanDerWaalsContact O-CB 3.32Å; I408-A412 WeakPolarHBondContact O-CB 3.41Å; I408-A412 PolarHBondContact O-N 2.95Å
409	V	90.3	Very high	84.6	Confident	85 Å²	85	82.7 Å²	82.7	52%	0.515	48%	0.475	S	S	.	.	H	α-helix	trans	-65.1	-46.1	179.3	171.1	0	0	0	0	111.1	A405 I406 A412 L413	A405-V409 WeakPolarHBondContact O-CB 3.48Å; A405-V409 WeakPolarHBondContact O-CG2 3.42Å; A405-V409 PolarHBondContact O-N 3.29Å; I406-V409 PolarHBondContact O-N 3.41Å; V409-A412 PolarHBondContact O-N 3.41Å; V409-L413 HydrophobicContact CG1-CD1 4.04Å; V409-L413 WeakPolarHBondContact O-CB 3.16Å; V409-L413 VanDerWaalsContact O-CG 3.31Å; V409-L413 WeakPolarHBondContact O-CG 3.26Å; V409-L413 PolarHBondContact O-N 3.09Å
410	I	92.7	Very high	85.6	Confident	88 Å²	88	84.4 Å²	84.4	45%	0.451	48%	0.484	S	S	.	.	H	α-helix	trans	-61.2	-46.5	176	-70	172.4	0	0	0	110.1	I406 G407 A412 L413 I414	I406-I410 HydrophobicContact CG2-CD1 3.53Å; I406-I410 HydrophobicContact CG2-CG1 4.21Å; I406-I410 WeakPolarHBondContact O-CB 3.38Å; I406-I410 VanDerWaalsContact O-CG1 3.24Å; I406-I410 WeakPolarHBondContact O-CG1 3.14Å; I406-I410 PolarHBondContact O-N 3.04Å; G407-I410 PolarHBondContact O-N 2.97Å; I410-A412 PolarHBondContact O-N 2.86Å; I410-L413 PolarHBondContact O-N 2.89Å; I410-I414 HydrophobicContact CG2-CD1 3.78Å; I410-I414 HydrophobicContact CG2-CG1 4.41Å; I410-I414 VanDerWaalsContact O-CG1 3.32Å; I410-I414 WeakPolarHBondContact O-CG1 3.37Å; I410-I414 PolarHBondContact O-N 3.17Å
411	G	93	Very high	86.7	Confident	32 Å²	32	83.8 Å²	83.8	33%	0.33	49%	0.486	S	S	.	.	H	α-helix	trans	-58.2	-46.8	176.9	0	0	0	0	0	112.2	G407 I408 L413 I414 V415	G407-G411 PolarHBondContact O-N 3.08Å; I408-G411 PolarHBondContact O-N 3.47Å; G411-L413 PolarHBondContact O-N 3.22Å; G411-I414 PolarHBondContact O-N 3.23Å; G411-V415 WeakPolarHBondContact O-CG2 3.41Å; G411-V415 PolarHBondContact O-N 2.94Å
412	A	93.6	Very high	87.9	Confident	49 Å²	49	85 Å²	85	41%	0.405	49%	0.491	S	S	.	.	H	α-helix	trans	-61.5	-41.7	176.5	0	0	0	0	0	112.2	I408 V409 I410 V415 L416	I408-A412 VanDerWaalsContact O-CB 3.32Å; I408-A412 WeakPolarHBondContact O-CB 3.41Å; I408-A412 PolarHBondContact O-N 2.95Å; V409-A412 PolarHBondContact O-N 3.41Å; I410-A412 PolarHBondContact O-N 2.86Å; A412-V415 PolarHBondContact O-N 3.18Å; A412-L416 WeakPolarHBondContact O-CB 3.44Å; A412-L416 WeakPolarHBondContact O-CG 3.32Å; A412-L416 PolarHBondContact O-N 2.72Å
413	L	94.8	Very high	89	Confident	100 Å²	100	82.5 Å²	82.5	52%	0.524	48%	0.478	S	S	.	.	H	α-helix	trans	-64.7	-39.7	176	-73.6	169.9	0	0	0	112.2	V409 I410 G411 L416 T417	V409-L413 HydrophobicContact CG1-CD1 4.04Å; V409-L413 WeakPolarHBondContact O-CB 3.16Å; V409-L413 VanDerWaalsContact O-CG 3.31Å; V409-L413 WeakPolarHBondContact O-CG 3.26Å; V409-L413 PolarHBondContact O-N 3.09Å; I410-L413 PolarHBondContact O-N 2.89Å; G411-L413 PolarHBondContact O-N 3.22Å; L413-L416 PolarHBondContact O-N 2.87Å; L413-T417 WeakPolarHBondContact O-CB 3.31Å; L413-T417 VanDerWaalsContact O-CG2 3.28Å; L413-T417 WeakPolarHBondContact O-CG2 3.16Å; L413-T417 PolarHBondContact O-N 3.09Å; L413-T417 PolarHBondContact O-OG1 2.05Å
414	I	95.9	Very high	89.8	Confident	96 Å²	96	82 Å²	82	49%	0.492	47%	0.469	S	S	.	.	H	α-helix	trans	-64.1	-43.5	175.4	-68.3	167.6	0	0	0	110.5	I410 G411 T417 T418	I410-I414 HydrophobicContact CG2-CD1 3.78Å; I410-I414 HydrophobicContact CG2-CG1 4.41Å; I410-I414 VanDerWaalsContact O-CG1 3.32Å; I410-I414 WeakPolarHBondContact O-CG1 3.37Å; I410-I414 PolarHBondContact O-N 3.17Å; G411-I414 PolarHBondContact O-N 3.23Å; I414-T417 WeakPolarHBondContact CA-OG1 3.35Å; I414-T417 PolarHBondContact O-N 3.36Å; I414-T417 PolarHBondContact O-OG1 3.39Å; I414-T418 HydrophobicContact CG2-CG2 4.42Å; I414-T418 WeakPolarHBondContact O-CB 3.48Å; I414-T418 VanDerWaalsContact O-CG2 3.29Å; I414-T418 WeakPolarHBondContact O-CG2 3.37Å; I414-T418 PolarHBondContact O-N 2.94Å; I414-T418 PolarHBondContact O-OG1 3.2Å
415	V	95.2	Very high	90.4	Very high	89 Å²	89	82.1 Å²	82.1	54%	0.539	47%	0.472	S	S	.	.	H	α-helix	trans	-64	-45.1	177.3	173.2	0	0	0	0	110.8	G411 A412 T417 T418 F419	G411-V415 WeakPolarHBondContact O-CG2 3.41Å; G411-V415 PolarHBondContact O-N 2.94Å; A412-V415 PolarHBondContact O-N 3.18Å; V415-T417 PolarHBondContact O-N 3.03Å; V415-T418 WeakPolarHBondContact CA-OG1 3.44Å; V415-T418 PolarHBondContact O-N 2.88Å; V415-T418 PolarHBondContact O-OG1 2.92Å; V415-F419 WeakPolarHBondContact O-CB 3.48Å; V415-F419 PolarHBondContact O-N 3.13Å
416	L	94.8	Very high	90.6	Very high	111 Å²	111	84 Å²	84	58%	0.581	48%	0.483	S	S	*	.	H	α-helix	trans	-63.7	-43.3	178.8	-77.8	163.3	0	0	0	112.5	A412 L413 F419 T420	A412-L416 WeakPolarHBondContact O-CB 3.44Å; A412-L416 WeakPolarHBondContact O-CG 3.32Å; A412-L416 PolarHBondContact O-N 2.72Å; L413-L416 PolarHBondContact O-N 2.87Å; L416-F419 PolarHBondContact O-N 3.31Å; L416-T420 WeakPolarHBondContact O-CB 3.22Å; L416-T420 PolarHBondContact O-N 3.09Å; L416-T420 PolarHBondContact O-OG1 3.32Å
417	T	94.5	Very high	90.5	Very high	81 Å²	81	88 Å²	88	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-66.5	-43.3	178.5	48.7	0	0	0	0	111.8	L413 I414 V415 F419 T420 C421	L413-T417 WeakPolarHBondContact O-CB 3.31Å; L413-T417 VanDerWaalsContact O-CG2 3.28Å; L413-T417 WeakPolarHBondContact O-CG2 3.16Å; L413-T417 PolarHBondContact O-N 3.09Å; L413-T417 PolarHBondContact O-OG1 2.05Å; I414-T417 WeakPolarHBondContact CA-OG1 3.35Å; I414-T417 PolarHBondContact O-N 3.36Å; I414-T417 PolarHBondContact O-OG1 3.39Å; V415-T417 PolarHBondContact O-N 3.03Å; T417-F419 PolarHBondContact O-N 2.96Å; T417-T420 PolarHBondContact O-N 2.88Å; T417-C421 PolarHBondContact O-N 3.23Å; T417-C421 PolarHBondContact O-SG 2.69Å; T417-C421 VanDerWaalsContact O-SG 3.39Å
418	T	94.6	Very high	89.6	Confident	71 Å²	71	91.7 Å²	91.7	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-43.3	175.7	50.4	0	0	0	0	111.8	I414 V415 T420 C421 I422	I414-T418 HydrophobicContact CG2-CG2 4.42Å; I414-T418 WeakPolarHBondContact O-CB 3.48Å; I414-T418 VanDerWaalsContact O-CG2 3.29Å; I414-T418 WeakPolarHBondContact O-CG2 3.37Å; I414-T418 PolarHBondContact O-N 2.94Å; I414-T418 PolarHBondContact O-OG1 3.2Å; V415-T418 WeakPolarHBondContact CA-OG1 3.44Å; V415-T418 PolarHBondContact O-N 2.88Å; V415-T418 PolarHBondContact O-OG1 2.92Å; T418-T420 VanDerWaalsContact C-N 3.34Å; T418-T420 PolarHBondContact O-N 2.9Å; T418-C421 PolarHBondContact O-N 3.1Å; T418-I422 VanDerWaalsContact O-CG1 3.3Å; T418-I422 WeakPolarHBondContact O-CG1 3.24Å; T418-I422 PolarHBondContact O-N 2.88Å
419	F	94.6	Very high	88.6	Confident	131 Å²	131	96.1 Å²	96.1	58%	0.575	52%	0.517	S	S	*	.	H	α-helix	trans	-61.3	-42.3	175.5	-134.9	-89.8	0	0	0	112.1	V415 L416 T417 I422 I423	V415-F419 WeakPolarHBondContact O-CB 3.48Å; V415-F419 PolarHBondContact O-N 3.13Å; L416-F419 PolarHBondContact O-N 3.31Å; T417-F419 PolarHBondContact O-N 2.96Å; F419-I422 PolarHBondContact O-N 3.15Å; F419-I423 HydrophobicContact CD1-CD1 3.94Å; F419-I423 HydrophobicContact CD1-CG1 4.45Å; F419-I423 HydrophobicContact CE1-CD1 4.44Å; F419-I423 WeakPolarHBondContact O-CG1 3.34Å; F419-I423 PolarHBondContact O-N 3.3Å
420	T	93.1	Very high	87.3	Confident	76 Å²	76	99.3 Å²	99.3	47%	0.466	53%	0.53	S	S	.	.	H	α-helix	trans	-63.3	-43.9	177.4	-53	0	0	0	0	111.2	L416 T417 T418 I422 I423 I424	L416-T420 WeakPolarHBondContact O-CB 3.22Å; L416-T420 PolarHBondContact O-N 3.09Å; L416-T420 PolarHBondContact O-OG1 3.32Å; T417-T420 PolarHBondContact O-N 2.88Å; T418-T420 VanDerWaalsContact C-N 3.34Å; T418-T420 PolarHBondContact O-N 2.9Å; T420-I422 PolarHBondContact O-N 3.16Å; T420-I423 PolarHBondContact O-N 2.91Å; T420-I424 HydrophobicContact CG2-CD1 4.06Å; T420-I424 WeakPolarHBondContact O-CG1 3.39Å; T420-I424 PolarHBondContact O-N 3.45Å
421	C	90.8	Very high	85.7	Confident	70 Å²	70	100.5 Å²	100.5	47%	0.473	54%	0.543	S	S	.	.	H	α-helix	trans	-60.7	-43.2	175	-73.2	0	0	0	0	112.2	T417 T418 I423 I424 I425	T417-C421 PolarHBondContact O-N 3.23Å; T417-C421 PolarHBondContact O-SG 2.69Å; T417-C421 VanDerWaalsContact O-SG 3.39Å; T418-C421 PolarHBondContact O-N 3.1Å; C421-I423 VanDerWaalsContact C-N 3.32Å; C421-I423 PolarHBondContact O-N 2.91Å; C421-I424 PolarHBondContact O-N 3.33Å; C421-I425 WeakPolarHBondContact O-CB 3.27Å; C421-I425 VanDerWaalsContact O-CG1 3.25Å; C421-I425 WeakPolarHBondContact O-CG1 3.38Å; C421-I425 PolarHBondContact O-N 3.38Å
422	I	91.2	Very high	84	Confident	106 Å²	106	103.3 Å²	103.3	54%	0.544	56%	0.557	S	S	.	*	H	α-helix	trans	-61.8	-40.9	176.5	-68.2	166.1	0	0	0	110.9	T418 F419 T420 I425 S426	T418-I422 VanDerWaalsContact O-CG1 3.3Å; T418-I422 WeakPolarHBondContact O-CG1 3.24Å; T418-I422 PolarHBondContact O-N 2.88Å; F419-I422 PolarHBondContact O-N 3.15Å; T420-I422 PolarHBondContact O-N 3.16Å; I422-I425 PolarHBondContact O-N 2.91Å; I422-S426 VanDerWaalsContact O-CB 3.3Å; I422-S426 WeakPolarHBondContact O-CB 3.41Å; I422-S426 PolarHBondContact O-N 3.31Å; I422-S426 PolarHBondContact O-OG 2.86Å
423	I	89.4	Confident	82	Confident	78 Å²	78	106.9 Å²	106.9	40%	0.4	58%	0.577	S	S	.	*	H	α-helix	trans	-64.3	-43.2	176.1	-69.2	169.1	0	0	0	111	F419 T420 C421 S426 K427	F419-I423 HydrophobicContact CD1-CD1 3.94Å; F419-I423 HydrophobicContact CD1-CG1 4.45Å; F419-I423 HydrophobicContact CE1-CD1 4.44Å; F419-I423 WeakPolarHBondContact O-CG1 3.34Å; F419-I423 PolarHBondContact O-N 3.3Å; T420-I423 PolarHBondContact O-N 2.91Å; C421-I423 VanDerWaalsContact C-N 3.32Å; C421-I423 PolarHBondContact O-N 2.91Å; I423-S426 WeakPolarHBondContact CA-OG 3.49Å; I423-S426 PolarHBondContact O-N 3.43Å; I423-S426 PolarHBondContact O-OG 2.86Å; I423-K427 HydrophobicContact CG2-CD 4.46Å; I423-K427 WeakPolarHBondContact O-CB 3.28Å; I423-K427 PolarHBondContact O-N 2.84Å
424	I	87.9	Confident	80	Confident	88 Å²	88	110 Å²	110	45%	0.451	59%	0.588	S	S	.	*	H	α-helix	trans	-64	-46.5	177.9	-67.5	166.7	0	0	0	110.7	T420 C421 S426 K427 N428	T420-I424 HydrophobicContact CG2-CD1 4.06Å; T420-I424 WeakPolarHBondContact O-CG1 3.39Å; T420-I424 PolarHBondContact O-N 3.45Å; C421-I424 PolarHBondContact O-N 3.33Å; I424-S426 VanDerWaalsContact C-N 3.35Å; I424-S426 PolarHBondContact O-N 2.92Å; I424-K427 PolarHBondContact O-N 3.43Å; I424-N428 WeakPolarHBondContact O-CB 3.34Å; I424-N428 PolarHBondContact O-N 3.21Å
425	I	85.1	Confident	78	Confident	107 Å²	107	110.9 Å²	110.9	55%	0.549	60%	0.6	S	S	.	*	H	α-helix	trans	-63.2	-41.7	178.8	-68.2	166.3	0	0	0	111	C421 I422 N428 R429	C421-I425 WeakPolarHBondContact O-CB 3.27Å; C421-I425 VanDerWaalsContact O-CG1 3.25Å; C421-I425 WeakPolarHBondContact O-CG1 3.38Å; C421-I425 PolarHBondContact O-N 3.38Å; I422-I425 PolarHBondContact O-N 2.91Å; I425-N428 PolarHBondContact O-N 3.16Å; I425-R429 PolarHBondContact O-N 3.03Å
426	S	78.6	Confident	75.9	Confident	71 Å²	71	116.7 Å²	116.7	50%	0.497	62%	0.619	S	S	.	*	H	α-helix	trans	-69.4	-33.5	179.1	57.4	0	0	0	0	113	I422 I423 I424	I422-S426 VanDerWaalsContact O-CB 3.3Å; I422-S426 WeakPolarHBondContact O-CB 3.41Å; I422-S426 PolarHBondContact O-N 3.31Å; I422-S426 PolarHBondContact O-OG 2.86Å; I423-S426 WeakPolarHBondContact CA-OG 3.49Å; I423-S426 PolarHBondContact O-N 3.43Å; I423-S426 PolarHBondContact O-OG 2.86Å; I424-S426 VanDerWaalsContact C-N 3.35Å; I424-S426 PolarHBondContact O-N 2.92Å
427	K	77.3	Confident	73.9	Confident	169 Å²	169	116.9 Å²	116.9	74%	0.735	63%	0.629	S	S	*	*	H	α-helix	trans	-71.3	-30.6	171.5	-79.1	-173.5	172.8	-175.3	0	113.7	I423 I424 R429	I423-K427 HydrophobicContact CG2-CD 4.46Å; I423-K427 WeakPolarHBondContact O-CB 3.28Å; I423-K427 PolarHBondContact O-N 2.84Å; I424-K427 PolarHBondContact O-N 3.43Å; K427-R429 VanDerWaalsContact C-N 3.34Å
428	N	68.6	Low	71.8	Confident	119 Å²	119	124.5 Å²	124.5	64%	0.636	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	2.6	179.8	-73.1	-12.2	0	0	0	113.9	I424 I425 I430	I424-N428 WeakPolarHBondContact O-CB 3.34Å; I424-N428 PolarHBondContact O-N 3.21Å; I425-N428 PolarHBondContact O-N 3.16Å; N428-I430 PolarHBondContact O-N 2.6Å
429	R	64.6	Low	69.5	Low	201 Å²	201	128.9 Å²	128.9	76%	0.758	67%	0.669	S	S	*	*			trans	-72	99.4	167.9	-81.1	-172.5	178.2	-173.2	-0.2	109.3	I425 K427	I425-R429 PolarHBondContact O-N 3.03Å; K427-R429 VanDerWaalsContact C-N 3.34Å
430	I	62.6	Low	67.3	Low	153 Å²	153	131.8 Å²	131.8	79%	0.785	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-57.9	130.3	166.2	-58.6	172.9	0	0	0	107.6	N428 S432	N428-I430 PolarHBondContact O-N 2.6Å; I430-S432 PolarHBondContact O-N 2.82Å
431	P	58.7	Low	65.1	Low	112 Å²	112	135.6 Å²	135.6	73%	0.727	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-59.2	124.7	174.6	-15.3	27.3	0	0	0	108.9
432	S	57.9	Low	62.9	Low	91 Å²	91	140.5 Å²	140.5	64%	0.636	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-53.6	129.4	167.4	44.7	0	0	0	0	108.9	I430 H434	I430-S432 PolarHBondContact O-N 2.82Å; S432-H434 PolarHBondContact O-N 3.13Å
433	P	51.4	Low	60.7	Low	125 Å²	125	142.7 Å²	142.7	81%	0.812	73%	0.729	S	S	*	*			trans	-61.4	115.7	179.1	23.5	-30.3	0	0	0	108.5
434	H	54.1	Low	59	Low	166 Å²	166	145.5 Å²	145.5	77%	0.769	75%	0.745	S	S	*	*			trans	-61.4	126.3	171.1	-79.6	-70.5	0	0	0	108.4	S432 F436	S432-H434 PolarHBondContact O-N 3.13Å; H434-F436 PolarHBondContact O-N 3.34Å
435	P	52.3	Low	57	Low	113 Å²	113	148.6 Å²	148.6	73%	0.734	76%	0.763	S	S	*	*			trans	-64.9	129	170.6	18	-17.2	0	0	0	108.6	S437	P435-S437 PolarHBondContact O-N 2.92Å; P435-S437 VanDerWaalsContact O-N 3.12Å
436	F	51.5	Low	55.3	Low	212 Å²	212	150.7 Å²	150.7	93%	0.93	78%	0.775	S	S	*	*			trans	-55.2	113.4	174.9	-99.7	-96.9	0	0	0	110.2	H434 R438	H434-F436 PolarHBondContact O-N 3.34Å; F436-R438 PolarHBondContact O-N 3.07Å
437	S	53.1	Low	53.8	Low	114 Å²	114	154.5 Å²	154.5	80%	0.797	79%	0.79	S	S	*	*			trans	-67.7	112.3	166.7	-48.3	0	0	0	0	108.7	P435 L439	P435-S437 PolarHBondContact O-N 2.92Å; P435-S437 VanDerWaalsContact O-N 3.12Å; S437-L439 PolarHBondContact O-N 3.29Å
438	R	49.9	Very low	53	Low	242 Å²	242	151.3 Å²	151.3	91%	0.913	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-69	122.6	174.5	-152.4	178.7	-157.4	179.5	4.1	108.2	F436 Q440	F436-R438 PolarHBondContact O-N 3.07Å; R438-Q440 PolarHBondContact O-N 3.2Å
439	L	46.3	Very low	52	Low	163 Å²	163	152.3 Å²	152.3	85%	0.853	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-55.2	120.6	168.5	-94.5	100.4	0	0	0	108.9	S437	S437-L439 PolarHBondContact O-N 3.29Å
440	Q	48.1	Very low	51.2	Low	191 Å²	191	150.1 Å²	150.1	89%	0.893	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-78.8	116.9	158.7	-89.2	179.5	-41.7	0	0	107.3	R438	R438-Q440 PolarHBondContact O-N 3.2Å
441	L	47.5	Very low	50.1	Low	157 Å²	157	149.8 Å²	149.8	82%	0.822	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-65.6	129.1	165.3	-84	150	0	0	0	107.9
442	Q	44.2	Very low	49.7	Very low	173 Å²	173	151.7 Å²	151.7	81%	0.808	83%	0.832	S	S	*	*			trans	-88.1	105	173.9	-171	161.6	2.3	0	0	106
443	D	46.5	Very low	49.3	Very low	152 Å²	152	154.9 Å²	154.9	81%	0.813	84%	0.842	S	S	*	*			trans	-85.7	113.6	167	-75.8	-30.5	0	0	0	107.1
444	D	51.8	Low	49.2	Very low	137 Å²	137	156.6 Å²	156.6	73%	0.733	84%	0.844	S	S	*	*			trans	-59.5	136	160.6	-71.7	-39.2	0	0	0	108.5
445	D	47.6	Very low	48.9	Very low	153 Å²	153	156 Å²	156	82%	0.818	85%	0.849	S	S	*	*			trans	-166	106.3	145.3	-95.1	-21.6	0	0	0	109.6
446	D	48.7	Very low	48.7	Very low	151 Å²	151	158.7 Å²	158.7	81%	0.807	86%	0.856	S	S	*	*			trans	39.6	109.6	138.1	-65.8	-17	0	0	0	119.9
447	D	48.2	Very low	48.5	Very low	150 Å²	150	155.1 Å²	155.1	80%	0.802	85%	0.851	S	S	*	*			trans	-43.2	149.1	144.5	-134.4	-11.8	0	0	0	110.2
448	P	58.9	Low	48.1	Very low	103 Å²	103	158.1 Å²	158.1	67%	0.669	86%	0.855	S	S	*	*				-158.2	158.5	76.8	38.9	-17.3	0	0	0	118.8
449	L	47.6	Very low	48	Very low	139 Å²	139	151.6 Å²	151.6	73%	0.728	85%	0.85	S	S	*	*			trans	85.3	122	130.1	-79.9	165.6	0	0	0	121.8
450	I	47.9	Very low	48.1	Very low	156 Å²	156	150.7 Å²	150.7	80%	0.8	85%	0.85	S	S	*	*			trans	86.8	122.6	135.5	-58.2	160.1	0	0	0	117.9
451	G	40.8	Very low	48.2	Very low	146 Å²	146	147 Å²	147	100%	1.505	85%	0.846	S	S	*	*			trans	164.4	0	159.6	0	0	0	0	0	111.9

Retrieved 451 of 451 residues in 244.7 ms (Link to these results)

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