A0A077Z0L3_TRITR Loading...

Histone deacetylase

AlphaFold DB , UniProt , Accession A0A077Z0L3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 493 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.5	Very low	47.1	Very low	243 Å²	243	110.8 Å²	110.8	100%	1.197	57%	0.569	S	S	*	*				0	100.8	0	-71.2	177.2	-173.8	0	0	106.8
2	L	37.3	Very low	47.4	Very low	120 Å²	120	108 Å²	108	63%	0.628	57%	0.566	S	S	*	*			trans	-67.6	129.4	165.7	-75.1	156.6	0	0	0	106	V6	L2-V6 HydrophobicContact CD2-CB 4.2Å; L2-V6 HydrophobicContact CD2-CG1 3.67Å
3	T	49.5	Very low	46.8	Very low	87 Å²	87	110.9 Å²	110.9	53%	0.534	58%	0.575	S	S	.	*			trans	-62	145.7	173.6	51.9	0	0	0	0	108.4	S5 V6 Y7	T3-S5 PolarHBondContact O-N 3.37Å; T3-S5 PolarHBondContact OG1-OG 3.19Å; T3-V6 PolarHBondContact O-N 3.39Å; T3-V6 WeakPolarHBondContact OG1-CG2 3.42Å; T3-Y7 PolarHBondContact O-N 3.08Å
4	E	45.6	Very low	46.4	Very low	168 Å²	168	108.4 Å²	108.4	79%	0.785	57%	0.572	S	S	*	*	H	α-helix	trans	-44.4	-37.9	177.5	-87.9	177.9	139.9	0	0	112.2	V6 Y7 D8	E4-V6 PolarHBondContact O-N 3.39Å; E4-Y7 PolarHBondContact O-N 3.35Å; E4-D8 WeakPolarHBondContact O-CB 3.49Å; E4-D8 PolarHBondContact O-N 3.37Å
5	S	53	Low	46.2	Very low	77 Å²	77	103.6 Å²	103.6	54%	0.538	55%	0.554	S	S	.	*	H	α-helix	trans	-60.4	-36.7	178.7	75	0	0	0	0	114.7	T3 E9	T3-S5 PolarHBondContact O-N 3.37Å; T3-S5 PolarHBondContact OG1-OG 3.19Å; S5-E9 VanDerWaalsContact O-CB 3.3Å; S5-E9 WeakPolarHBondContact O-CB 3.47Å; S5-E9 PolarHBondContact O-N 3.33Å; S5-E9 VanDerWaalsContact O-N 3.08Å
6	V	51.3	Low	45.9	Very low	50 Å²	50	103.1 Å²	103.1	30%	0.303	57%	0.568	S	S	.	*	H	α-helix	trans	-81.6	-30.2	-178.1	-179.7	0	0	0	0	110.4	L2 T3 E4 L10	L2-V6 HydrophobicContact CD2-CB 4.2Å; L2-V6 HydrophobicContact CD2-CG1 3.67Å; T3-V6 PolarHBondContact O-N 3.39Å; T3-V6 WeakPolarHBondContact OG1-CG2 3.42Å; E4-V6 PolarHBondContact O-N 3.39Å; V6-L10 HydrophobicContact CG1-CD1 4.19Å; V6-L10 WeakPolarHBondContact O-CB 3.3Å; V6-L10 PolarHBondContact O-N 3.2Å
7	Y	51.1	Low	46.2	Very low	105 Å²	105	105.1 Å²	105.1	41%	0.412	57%	0.565	S	S	.	*	H	α-helix	trans	-68.7	-43.4	171.9	-170.4	-95.8	0	0	0	111.3	T3 E4 E9 L10 M11	T3-Y7 PolarHBondContact O-N 3.08Å; E4-Y7 PolarHBondContact O-N 3.35Å; Y7-E9 VanDerWaalsContact C-N 3.32Å; Y7-E9 PolarHBondContact O-N 2.89Å; Y7-L10 PolarHBondContact O-N 3.4Å; Y7-M11 HydrophobicContact CD1-CG 4.18Å; Y7-M11 HydrophobicContact CE1-CE 3.74Å; Y7-M11 HydrophobicContact CE1-CG 3.96Å; Y7-M11 HydrophobicContact CE2-CE 4.37Å; Y7-M11 WeakPolarHBondContact O-CB 3.42Å; Y7-M11 VanDerWaalsContact O-CG 3.31Å; Y7-M11 WeakPolarHBondContact O-CG 3.48Å; Y7-M11 PolarHBondContact O-N 3.27Å; Y7-M11 WeakPolarHBondContact OH-CE 3.27Å
8	D	49.5	Very low	46.6	Very low	94 Å²	94	105.6 Å²	105.6	50%	0.503	57%	0.568	S	S	.	*	H	α-helix	trans	-64.3	-35.7	175	-74.3	-21.5	0	0	0	112.2	E4 S12	E4-D8 WeakPolarHBondContact O-CB 3.49Å; E4-D8 PolarHBondContact O-N 3.37Å; D8-S12 VanDerWaalsContact O-CB 3.27Å; D8-S12 WeakPolarHBondContact O-CB 3.31Å; D8-S12 PolarHBondContact O-N 3.01Å
9	E	47.3	Very low	47.3	Very low	119 Å²	119	102.2 Å²	102.2	56%	0.556	55%	0.547	S	S	*	.	H	α-helix	trans	-72.5	-37.4	177.1	-163.5	169.3	-159.9	0	0	112.7	S5 Y7 S12 Q13	S5-E9 VanDerWaalsContact O-CB 3.3Å; S5-E9 WeakPolarHBondContact O-CB 3.47Å; S5-E9 PolarHBondContact O-N 3.33Å; S5-E9 VanDerWaalsContact O-N 3.08Å; Y7-E9 VanDerWaalsContact C-N 3.32Å; Y7-E9 PolarHBondContact O-N 2.89Å; E9-S12 WeakPolarHBondContact O-CB 3.39Å; E9-S12 PolarHBondContact O-N 3.33Å; E9-Q13 WeakPolarHBondContact O-CG 3.13Å; E9-Q13 PolarHBondContact O-N 2.97Å
10	L	44.1	Very low	47.8	Very low	102 Å²	102	102.3 Å²	102.3	53%	0.534	54%	0.54	S	S	.	.	H	α-helix	trans	-67.6	-38.6	172	-90.9	155.4	0	0	0	112.3	V6 Y7 Q13 S14	V6-L10 HydrophobicContact CG1-CD1 4.19Å; V6-L10 WeakPolarHBondContact O-CB 3.3Å; V6-L10 PolarHBondContact O-N 3.2Å; Y7-L10 PolarHBondContact O-N 3.4Å; L10-Q13 PolarHBondContact O-N 3.46Å; L10-S14 PolarHBondContact O-N 2.85Å
11	M	47.8	Very low	48.5	Very low	54 Å²	54	104.3 Å²	104.3	27%	0.266	54%	0.544	S	S	.	.	H	α-helix	trans	-68.4	-34.8	173.4	-75.3	-68.2	-161	0	0	112	Y7 Q13 S14 A15 Q318	Y7-M11 HydrophobicContact CD1-CG 4.18Å; Y7-M11 HydrophobicContact CE1-CE 3.74Å; Y7-M11 HydrophobicContact CE1-CG 3.96Å; Y7-M11 HydrophobicContact CE2-CE 4.37Å; Y7-M11 WeakPolarHBondContact O-CB 3.42Å; Y7-M11 VanDerWaalsContact O-CG 3.31Å; Y7-M11 WeakPolarHBondContact O-CG 3.48Å; Y7-M11 PolarHBondContact O-N 3.27Å; Y7-M11 WeakPolarHBondContact OH-CE 3.27Å; M11-Q13 VanDerWaalsContact C-N 3.27Å; M11-Q13 PolarHBondContact O-N 3.15Å; M11-S14 PolarHBondContact O-N 3.45Å; M11-S14 PolarHBondContact O-OG 3.01Å; M11-A15 WeakPolarHBondContact O-CB 3.31Å; M11-A15 PolarHBondContact O-N 3.14Å; M11-Q318 HydrophobicContact CE-CB 4.39Å; M11-Q318 HydrophobicContact CE-CG 4.08Å
12	S	50.4	Low	50.7	Low	77 Å²	77	93.8 Å²	93.8	54%	0.538	49%	0.492	S	S	.	.	H	α-helix	trans	-61.3	-34.2	172.6	156.2	0	0	0	0	112.6	D8 E9 A15	D8-S12 VanDerWaalsContact O-CB 3.27Å; D8-S12 WeakPolarHBondContact O-CB 3.31Å; D8-S12 PolarHBondContact O-N 3.01Å; E9-S12 WeakPolarHBondContact O-CB 3.39Å; E9-S12 PolarHBondContact O-N 3.33Å; S12-A15 PolarHBondContact O-N 2.94Å
13	Q	39.7	Very low	53.6	Low	146 Å²	146	88 Å²	88	68%	0.682	46%	0.462	S	S	*	.	H	α-helix	trans	-79	-26.4	-179.7	-71	-177.3	14	0	0	113.5	E9 L10 M11	E9-Q13 WeakPolarHBondContact O-CG 3.13Å; E9-Q13 PolarHBondContact O-N 2.97Å; L10-Q13 PolarHBondContact O-N 3.46Å; M11-Q13 VanDerWaalsContact C-N 3.27Å; M11-Q13 PolarHBondContact O-N 3.15Å
14	S	41.6	Very low	55.9	Low	76 Å²	76	84 Å²	84	53%	0.531	44%	0.437	S	S	.	.	H	α-helix	trans	-81.2	-22.5	168.7	72	0	0	0	0	112.8	L10 M11 A16	L10-S14 PolarHBondContact O-N 2.85Å; M11-S14 PolarHBondContact O-N 3.45Å; M11-S14 PolarHBondContact O-OG 3.01Å; S14-A16 VanDerWaalsContact C-N 3.34Å; S14-A16 PolarHBondContact O-N 2.97Å
15	A	43.9	Very low	58.4	Low	36 Å²	36	76.1 Å²	76.1	30%	0.298	40%	0.4	S	S	.	.			trans	-79.7	0.4	-176.5	0	0	0	0	0	115.7	M11 S12 R17 F19	M11-A15 WeakPolarHBondContact O-CB 3.31Å; M11-A15 PolarHBondContact O-N 3.14Å; S12-A15 PolarHBondContact O-N 2.94Å; A15-R17 PolarHBondContact O-N 2.7Å; A15-F19 HydrophobicContact CB-CE2 4.33Å; A15-F19 HydrophobicContact CB-CZ 3.94Å; A15-F19 WeakPolarHBondContact O-CE2 3.34Å; A15-F19 WeakPolarHBondContact O-CZ 3.02Å
16	A	40.4	Very low	60.6	Low	95 Å²	95	72.8 Å²	72.8	79%	0.785	38%	0.376	S	S	*	.			trans	-76	24.3	169.8	0	0	0	0	0	112.9	S14	S14-A16 VanDerWaalsContact C-N 3.34Å; S14-A16 PolarHBondContact O-N 2.97Å
17	R	50.7	Low	62.8	Low	137 Å²	137	71.2 Å²	71.2	52%	0.517	36%	0.364	S	S	.	.	S	Bend	trans	-68.8	140.3	164.2	-92.6	-175.9	170.8	179.1	-0	108.4	A15 F19 E22	A15-R17 PolarHBondContact O-N 2.7Å; R17-F19 WeakPolarHBondContact O-CD2 3.41Å; R17-F19 PolarHBondContact O-N 2.82Å; R17-E22 WeakPolarHBondContact CD-OE1 3.35Å; R17-E22 IonicContact CZ-OE1 3.35Å; R17-E22 IonicContact NH1-OE1 2.96Å; R17-E22 PolarHBondContact NH1-OE1 3.26Å
18	N	55	Low	65	Low	114 Å²	114	66.3 Å²	66.3	61%	0.61	35%	0.345	S	S	*	.			trans	-70.9	84	175.9	-163.2	-6.5	0	0	0	108.3	R20 K21	N18-R20 PolarHBondContact O-N 3.39Å; N18-K21 PolarHBondContact O-N 3Å
19	F	58.6	Low	67.2	Low	41 Å²	41	63.6 Å²	63.6	18%	0.18	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-52.3	-28.9	-171.9	-74.7	-66.6	0	0	0	113.6	A15 R17 K21 E22 V23 D62 V348	A15-F19 HydrophobicContact CB-CE2 4.33Å; A15-F19 HydrophobicContact CB-CZ 3.94Å; A15-F19 WeakPolarHBondContact O-CE2 3.34Å; A15-F19 WeakPolarHBondContact O-CZ 3.02Å; R17-F19 WeakPolarHBondContact O-CD2 3.41Å; R17-F19 PolarHBondContact O-N 2.82Å; F19-K21 PolarHBondContact O-N 2.8Å; F19-K21 VanDerWaalsContact O-N 3.16Å; F19-E22 WeakPolarHBondContact CD1-OE2 3.47Å; F19-E22 WeakPolarHBondContact O-CA 3.42Å; F19-E22 WeakPolarHBondContact O-CB 3.47Å; F19-E22 PolarHBondContact O-N 2.88Å; F19-V23 PolarHBondContact O-N 3.02Å; F19-V23 VanDerWaalsContact O-N 3.15Å; F19-D62 CarbonylContact C-O 3.47Å; F19-V348 WeakPolarHBondContact CG-O 3.11Å
20	R	58.1	Low	69.6	Low	105 Å²	105	61.5 Å²	61.5	40%	0.396	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-56.6	-32.5	175.3	-164.9	174.7	-176.8	177.7	4	112.6	N18 E22 D62 Y64	N18-R20 PolarHBondContact O-N 3.39Å; R20-E22 VanDerWaalsContact C-N 3.35Å; R20-D62 WeakPolarHBondContact CA-O 3.47Å; R20-Y64 WeakPolarHBondContact O-CD2 3.15Å; R20-Y64 WeakPolarHBondContact O-CE2 3.29Å
21	K	62	Low	72.1	Confident	144 Å²	144	56.8 Å²	56.8	63%	0.626	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-84.6	-8.7	174.8	-65.4	-168.1	175.5	-168.8	0	114	N18 F19	N18-K21 PolarHBondContact O-N 3Å; F19-K21 PolarHBondContact O-N 2.8Å; F19-K21 VanDerWaalsContact O-N 3.16Å
22	E	88.7	Confident	74.4	Confident	22 Å²	22	54.3 Å²	54.3	10%	0.103	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-29.2	-172.1	-160.6	164.4	-157.4	0	0	111.7	R17 F19 R20 Y158 I159	R17-E22 WeakPolarHBondContact CD-OE1 3.35Å; R17-E22 IonicContact CZ-OE1 3.35Å; R17-E22 IonicContact NH1-OE1 2.96Å; R17-E22 PolarHBondContact NH1-OE1 3.26Å; F19-E22 WeakPolarHBondContact CD1-OE2 3.47Å; F19-E22 WeakPolarHBondContact O-CA 3.42Å; F19-E22 WeakPolarHBondContact O-CB 3.47Å; F19-E22 PolarHBondContact O-N 2.88Å; R20-E22 VanDerWaalsContact C-N 3.35Å; E22-Y158 VanDerWaalsContact CG-CB 3.41Å; E22-Y158 HydrophobicContact CG-CD1 4.02Å; E22-Y158 HydrophobicContact CG-CG 4.06Å; E22-Y158 PolarHBondContact O-N 2.99Å; E22-Y158 WeakPolarHBondContact OE1-CD1 3.23Å; E22-I159 PolarHBondContact O-N 3.21Å
23	V	97.3	Very high	76.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.3	-174.4	-169.2	0	0	0	0	112.2	F19 M63 Y64 I159 I161 V348	F19-V23 PolarHBondContact O-N 3.02Å; F19-V23 VanDerWaalsContact O-N 3.15Å; V23-M63 HydrophobicContact CB-CB 3.86Å; V23-M63 HydrophobicContact CG1-CB 3.96Å; V23-M63 HydrophobicContact CG1-SD 4.4Å; V23-M63 WeakPolarHBondContact O-CB 3.35Å; V23-Y64 PolarHBondContact O-N 2.84Å; V23-I159 WeakPolarHBondContact CA-O 3.26Å; V23-I159 HydrophobicContact CG1-CB 4.32Å; V23-I159 HydrophobicContact CG1-CG2 4.34Å; V23-I159 HydrophobicContact CG2-CB 4.18Å; V23-I159 HydrophobicContact CG2-CD1 4.28Å; V23-I161 HydrophobicContact CG1-CD1 3.77Å; V23-I161 HydrophobicContact CG1-CG1 4.19Å; V23-V348 HydrophobicContact CB-CG1 4.26Å; V23-V348 HydrophobicContact CG1-CG1 4.14Å; V23-V348 HydrophobicContact CG2-CG1 4.13Å
24	V	97.8	Very high	79.3	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.1	168.8	-62	0	0	0	0	109.9	Y26 Y64 L66 A157 I159 G160 I161	V24-Y26 HydrophobicContact CB-CE2 4.26Å; V24-Y26 HydrophobicContact CG2-CE2 3.8Å; V24-Y64 CarbonylContact C-O 3.55Å; V24-Y64 WeakPolarHBondContact CA-O 3.44Å; V24-L66 HydrophobicContact CB-CD1 4.33Å; V24-L66 HydrophobicContact CG1-CD1 4.32Å; V24-A157 HydrophobicContact CB-CB 4.3Å; V24-A157 HydrophobicContact CG1-CB 3.67Å; V24-A157 HydrophobicContact CG2-CB 3.68Å; V24-I159 PolarHBondContact N-O 2.88Å; V24-G160 CarbonylContact O-C 3.31Å; V24-I161 PolarHBondContact O-N 3.44Å
25	Y	98.3	Very high	81.9	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.3	179.7	169.6	-130.3	0	0	0	110.1	H51 I54 M63 Y64 I65 L66 I161 W163	Y25-H51 AromaticContact CE1-ND1 3.45Å; Y25-H51 WeakPolarHBondContact CE1-ND1 3.29Å; Y25-H51 AromaticContact CZ-ND1 3.92Å; Y25-H51 PolarHBondContact OH-ND1 3.15Å; Y25-I54 HydrophobicContact CE1-CD1 4.39Å; Y25-M63 HydrophobicContact CD1-CE 3.49Å; Y25-M63 VanDerWaalsContact CD1-CE 3.49Å; Y25-M63 HydrophobicContact CD1-SD 4.36Å; Y25-M63 HydrophobicContact CE1-CE 4.28Å; Y25-M63 HydrophobicContact CG-CE 3.92Å; Y25-M63 HydrophobicContact CG-SD 4.23Å; Y25-Y64 PolarHBondContact N-O 2.92Å; Y25-I65 HydrophobicContact CD1-CD1 4.17Å; Y25-I65 HydrophobicContact CD1-CG1 4.06Å; Y25-I65 HydrophobicContact CD1-CG2 4.16Å; Y25-I65 WeakPolarHBondContact O-CA 3.31Å; Y25-L66 PolarHBondContact O-N 3.24Å; Y25-I161 WeakPolarHBondContact CA-O 3.34Å; Y25-I161 HydrophobicContact CD2-CB 3.89Å; Y25-I161 HydrophobicContact CD2-CG2 3.7Å; Y25-I161 HydrophobicContact CE2-CG2 4.23Å; Y25-W163 AromaticContact CE2-CD1 3.48Å; Y25-W163 VanDerWaalsContact CE2-CD1 3.48Å; Y25-W163 HydrophobicContact CE2-CG 4.24Å
26	Y	98.5	Very high	84.3	Confident	8 Å²	8	46.1 Å²	46.1	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.9	-179.5	-72.8	-92.8	0	0	0	111.1	V24 L66 P68 D147 A148 R151 I161	V24-Y26 HydrophobicContact CB-CE2 4.26Å; V24-Y26 HydrophobicContact CG2-CE2 3.8Å; Y26-L66 VanDerWaalsContact CA-O 3.31Å; Y26-L66 WeakPolarHBondContact CA-O 3.21Å; Y26-L66 HydrophobicContact CD1-CB 4.06Å; Y26-L66 HydrophobicContact CE1-CB 3.87Å; Y26-L66 HydrophobicContact CE1-CD1 4.17Å; Y26-L66 HydrophobicContact CE2-CD1 4.43Å; Y26-P68 HydrophobicContact CD1-CB 4.06Å; Y26-D147 HydrophobicContact CD1-CB 4.05Å; Y26-D147 HydrophobicContact CE1-CB 3.26Å; Y26-D147 HydrophobicContact CE2-CB 4.28Å; Y26-D147 VanDerWaalsContact CZ-CB 3.41Å; Y26-D147 WeakPolarHBondContact OH-CB 3.46Å; Y26-D147 PolarHBondContact OH-O 2.86Å; Y26-A148 HydrophobicContact CD2-CB 3.87Å; Y26-A148 HydrophobicContact CE2-CB 3.68Å; Y26-R151 WeakPolarHBondContact OH-CD 3.45Å; Y26-R151 PolarHBondContact OH-NE 3.44Å; Y26-R151 VanDerWaalsContact OH-NE 3.15Å; Y26-I161 PolarHBondContact N-O 3.24Å
27	Y	98.6	Very high	86.7	Confident	16 Å²	16	42.8 Å²	42.8	6%	0.063	20%	0.204	C	C	.	.			trans	-150.7	127.4	178.4	179.6	-105.8	0	0	0	111.4	I31 H51 L66 L436	Y27-I31 HydrophobicContact CD2-CG2 4.43Å; Y27-I31 HydrophobicContact CE2-CG2 3.97Å; Y27-H51 AromaticContact CD1-CD2 3.95Å; Y27-H51 AromaticContact CD1-CE1 3.33Å; Y27-H51 WeakPolarHBondContact CD1-CE1 3.4Å; Y27-H51 AromaticContact CD1-CG 3.71Å; Y27-H51 AromaticContact CD1-ND1 3.3Å; Y27-H51 VanDerWaalsContact CD1-ND1 3.3Å; Y27-H51 WeakPolarHBondContact CD1-ND1 2.98Å; Y27-H51 AromaticContact CD1-NE2 3.75Å; Y27-H51 HydrophobicContact CD2-CB 3.93Å; Y27-H51 AromaticContact CD2-CG 3.92Å; Y27-H51 AromaticContact CD2-ND1 3.74Å; Y27-H51 HydrophobicContact CE1-CB 4.2Å; Y27-H51 AromaticContact CE1-CD2 3.53Å; Y27-H51 AromaticContact CE1-CE1 3.73Å; Y27-H51 AromaticContact CE1-CG 3.53Å; Y27-H51 AromaticContact CE1-ND1 3.65Å; Y27-H51 AromaticContact CE1-NE2 3.67Å; Y27-H51 HydrophobicContact CE2-CB 3.56Å; Y27-H51 AromaticContact CE2-CG 3.78Å; Y27-H51 HydrophobicContact CG-CB 4.4Å; Y27-H51 AromaticContact CG-CE1 3.8Å; Y27-H51 AromaticContact CG-CG 3.89Å; Y27-H51 AromaticContact CG-ND1 3.34Å; Y27-H51 VanDerWaalsContact CG-ND1 3.34Å; Y27-H51 AromaticContact CZ-CD2 3.84Å; Y27-H51 AromaticContact CZ-CG 3.57Å; Y27-L66 PolarHBondContact N-O 3.4Å; Y27-L436 HydrophobicContact CD1-CD1 4.23Å
28	D	97.5	Very high	88.6	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.016	22%	0.223	C	C	.	.			trans	-107.7	127.7	165.9	-172.2	-56.8	0	0	0	108.7	L30 I31 R67 P68 K140	D28-L30 PolarHBondContact O-N 3.4Å; D28-L30 VanDerWaalsContact O-N 3.15Å; D28-L30 WeakPolarHBondContact OD1-CB 3.4Å; D28-L30 WeakPolarHBondContact OD1-CG 3.26Å; D28-L30 PolarHBondContact OD1-N 2.9Å; D28-I31 WeakPolarHBondContact O-CB 3.06Å; D28-I31 VanDerWaalsContact O-CG2 3.22Å; D28-I31 WeakPolarHBondContact O-CG2 3.36Å; D28-I31 PolarHBondContact O-N 2.98Å; D28-R67 HydrophobicContact CB-CG 4.43Å; D28-R67 IonicContact OD1-NH2 3.79Å; D28-R67 IonicContact OD2-CZ 3.84Å; D28-R67 IonicContact OD2-NE 3.25Å; D28-R67 PolarHBondContact OD2-NE 2.79Å; D28-R67 IonicContact OD2-NH2 2.92Å; D28-R67 PolarHBondContact OD2-NH2 2.88Å; D28-P68 HydrophobicContact CB-CG 4.03Å; D28-K140 HydrophobicContact CB-CD 4.14Å; D28-K140 IonicContact OD2-NZ 3.69Å; D28-K140 PolarHBondContact OD2-NZ 3.2Å
29	S	95.9	Very high	90.4	Very high	37 Å²	37	44 Å²	44	26%	0.259	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.1	-176.7	56.8	0	0	0	0	113.6	I31 R48	S29-I31 VanDerWaalsContact C-N 3.35Å; S29-R48 PolarHBondContact O-NH2 2.79Å
30	L	96.3	Very high	92.2	Very high	75 Å²	75	43.5 Å²	43.5	39%	0.393	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.9	177.3	-57.3	177.6	0	0	0	112.8	D28 G32 N33	D28-L30 PolarHBondContact O-N 3.4Å; D28-L30 VanDerWaalsContact O-N 3.15Å; D28-L30 WeakPolarHBondContact OD1-CB 3.4Å; D28-L30 WeakPolarHBondContact OD1-CG 3.26Å; D28-L30 PolarHBondContact OD1-N 2.9Å; L30-G32 PolarHBondContact O-N 3.29Å; L30-G32 VanDerWaalsContact O-N 3.1Å; L30-N33 WeakPolarHBondContact O-CB 3.42Å; L30-N33 PolarHBondContact O-N 2.9Å
31	I	96.6	Very high	94.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-58.7	-32.2	-173.7	-155.8	72	0	0	0	112.7	Y27 D28 S29 N33 Y34 P44 M47 F137 K140	Y27-I31 HydrophobicContact CD2-CG2 4.43Å; Y27-I31 HydrophobicContact CE2-CG2 3.97Å; D28-I31 WeakPolarHBondContact O-CB 3.06Å; D28-I31 VanDerWaalsContact O-CG2 3.22Å; D28-I31 WeakPolarHBondContact O-CG2 3.36Å; D28-I31 PolarHBondContact O-N 2.98Å; S29-I31 VanDerWaalsContact C-N 3.35Å; I31-N33 VanDerWaalsContact C-N 3.27Å; I31-N33 PolarHBondContact O-N 3.46Å; I31-Y34 HydrophobicContact CD1-CD2 4.3Å; I31-Y34 HydrophobicContact CD1-CE2 4.22Å; I31-Y34 WeakPolarHBondContact O-CD2 3.33Å; I31-P44 WeakPolarHBondContact O-CB 3.06Å; I31-M47 HydrophobicContact CB-SD 4.41Å; I31-M47 HydrophobicContact CG1-SD 3.51Å; I31-M47 VanDerWaalsContact CG1-SD 3.51Å; I31-M47 HydrophobicContact CG2-CB 3.92Å; I31-M47 HydrophobicContact CG2-SD 4Å; I31-F137 HydrophobicContact CD1-CD2 3.67Å; I31-F137 HydrophobicContact CD1-CE2 3.91Å; I31-F137 HydrophobicContact CG1-CD2 4.35Å; I31-F137 HydrophobicContact CG1-CE2 4.24Å; I31-K140 HydrophobicContact CD1-CB 3.8Å; I31-K140 HydrophobicContact CD1-CD 4.48Å
32	G	96.6	Very high	95.8	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.021	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-74.9	-9.9	177.8	0	0	0	0	0	114.9	L30	L30-G32 PolarHBondContact O-N 3.29Å; L30-G32 VanDerWaalsContact O-N 3.1Å
33	N	97.1	Very high	96.2	Very high	83 Å²	83	33.7 Å²	33.7	44%	0.444	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-88.3	-19.2	-178.5	-70	-24.8	0	0	0	113.5	L30 I31 R48	L30-N33 WeakPolarHBondContact O-CB 3.42Å; L30-N33 PolarHBondContact O-N 2.9Å; I31-N33 VanDerWaalsContact C-N 3.27Å; I31-N33 PolarHBondContact O-N 3.46Å; N33-R48 PolarHBondContact ND2-NH2 2.96Å; N33-R48 VanDerWaalsContact OD1-CZ 3.23Å; N33-R48 PolarHBondContact OD1-NH1 3.45Å; N33-R48 PolarHBondContact OD1-NH2 3.02Å
34	Y	96.8	Very high	96.3	Very high	31 Å²	31	33.8 Å²	33.8	12%	0.122	19%	0.188	C	C	.	.			trans	-68.2	138.2	178.7	-60.2	-77.6	0	0	0	110.5	I31 P44 F131 G133 E136 F137 K140	I31-Y34 HydrophobicContact CD1-CD2 4.3Å; I31-Y34 HydrophobicContact CD1-CE2 4.22Å; I31-Y34 WeakPolarHBondContact O-CD2 3.33Å; Y34-P44 WeakPolarHBondContact O-CD 3.46Å; Y34-P44 WeakPolarHBondContact O-CG 3.02Å; Y34-F131 HydrophobicContact CD1-CE2 4.43Å; Y34-G133 WeakPolarHBondContact CD1-O 3.45Å; Y34-G133 WeakPolarHBondContact CE1-O 3.27Å; Y34-E136 HydrophobicContact CE1-CB 4.07Å; Y34-E136 VanDerWaalsContact OH-CB 3.32Å; Y34-E136 WeakPolarHBondContact OH-CB 3.33Å; Y34-F137 HydrophobicContact CD1-CB 3.89Å; Y34-F137 HydrophobicContact CD2-CB 3.93Å; Y34-F137 AromaticContact CD2-CD2 3.74Å; Y34-F137 HydrophobicContact CD2-CD2 3.74Å; Y34-F137 HydrophobicContact CD2-CG 4.31Å; Y34-F137 HydrophobicContact CE1-CB 4.13Å; Y34-F137 HydrophobicContact CE2-CB 4.18Å; Y34-F137 HydrophobicContact CE2-CD2 4.43Å; Y34-F137 HydrophobicContact CG-CB 3.79Å; Y34-F137 HydrophobicContact CG-CD2 4.02Å; Y34-F137 HydrophobicContact CG-CG 4.3Å; Y34-K140 HydrophobicContact CE2-CD 4.12Å; Y34-K140 WeakPolarHBondContact OH-CE 3.1Å
35	H	95.3	Very high	96.3	Very high	48 Å²	48	34.3 Å²	34.3	22%	0.222	19%	0.19	C	C	.	.			trans	-135.3	108.6	-172.5	-175.1	-91.3	0	0	0	111.1	G37 F131	H35-G37 PolarHBondContact CE1-O 3.37Å; H35-G37 PolarHBondContact ND1-N 3.45Å; H35-G37 PolarHBondContact O-N 3.38Å; H35-G37 VanDerWaalsContact O-N 3.09Å; H35-F131 VanDerWaalsContact O-CB 3.31Å; H35-F131 WeakPolarHBondContact O-CB 3.42Å
36	Y	94.6	Very high	96.3	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.008	19%	0.191	C	C	.	.			trans	-61.2	-20.7	-176.2	-86.9	-122.8	0	0	0	114.2	H40 M42 P44 P129 F131 F137 F178 Y180	Y36-H40 WeakPolarHBondContact CB-ND1 3.45Å; Y36-H40 AromaticContact CD1-CE1 3.44Å; Y36-H40 VanDerWaalsContact CD1-CE1 3.44Å; Y36-H40 WeakPolarHBondContact CD1-CE1 3.47Å; Y36-H40 AromaticContact CD1-ND1 3.63Å; Y36-H40 AromaticContact CD1-NE2 3.98Å; Y36-H40 AromaticContact CG-ND1 3.85Å; Y36-M42 HydrophobicContact CD1-CB 3.94Å; Y36-M42 HydrophobicContact CD1-CG 4.09Å; Y36-M42 HydrophobicContact CD2-CB 4.39Å; Y36-M42 HydrophobicContact CD2-CG 3.93Å; Y36-M42 HydrophobicContact CE1-CB 4.04Å; Y36-M42 HydrophobicContact CE1-CG 3.82Å; Y36-M42 HydrophobicContact CE2-CB 4.49Å; Y36-M42 HydrophobicContact CE2-CG 3.66Å; Y36-M42 HydrophobicContact CG-CB 4.11Å; Y36-M42 HydrophobicContact CG-CG 4.14Å; Y36-P44 HydrophobicContact CD2-CG 3.95Å; Y36-P44 HydrophobicContact CE2-CG 3.9Å; Y36-P129 HydrophobicContact CD1-CG 3.98Å; Y36-P129 HydrophobicContact CG-CG 4.47Å; Y36-P129 WeakPolarHBondContact O-CB 3.41Å; Y36-P129 WeakPolarHBondContact O-CG 3.3Å; Y36-F131 HydrophobicContact CD1-CD1 4.48Å; Y36-F131 HydrophobicContact CD1-CE1 4.06Å; Y36-F131 HydrophobicContact CD2-CD1 4.25Å; Y36-F131 AromaticContact CD2-CE1 3.71Å; Y36-F131 HydrophobicContact CD2-CE1 3.71Å; Y36-F131 AromaticContact CD2-CZ 3.88Å; Y36-F131 HydrophobicContact CD2-CZ 3.88Å; Y36-F131 HydrophobicContact CE1-CE1 4.07Å; Y36-F131 AromaticContact CE2-CE1 3.7Å; Y36-F131 HydrophobicContact CE2-CE1 3.7Å; Y36-F131 AromaticContact CE2-CZ 3.64Å; Y36-F131 HydrophobicContact CE2-CZ 3.64Å; Y36-F131 HydrophobicContact CG-CD1 4.16Å; Y36-F131 AromaticContact CG-CE1 3.9Å; Y36-F131 HydrophobicContact CG-CE1 3.9Å; Y36-F131 AromaticContact CZ-CE1 3.9Å; Y36-F137 HydrophobicContact CE2-CE1 4.12Å; Y36-F137 HydrophobicContact CE2-CZ 4.3Å; Y36-F137 WeakPolarHBondContact OH-CE1 3.4Å; Y36-F178 HydrophobicContact CE1-CB 4.05Å; Y36-F178 PolarHBondContact OH-O 3.35Å; Y36-Y180 AromaticContact CE1-CE2 3.76Å; Y36-Y180 HydrophobicContact CE1-CE2 3.76Å; Y36-Y180 AromaticContact CZ-CE2 3.85Å
37	G	91.3	Very high	96.3	Very high	24 Å²	24	34.2 Å²	34.2	25%	0.247	19%	0.19	C	C	.	.			trans	136.3	162.4	-179.6	0	0	0	0	0	112.8	H35 G39 H40 K43	H35-G37 PolarHBondContact CE1-O 3.37Å; H35-G37 PolarHBondContact ND1-N 3.45Å; H35-G37 PolarHBondContact O-N 3.38Å; H35-G37 VanDerWaalsContact O-N 3.09Å; G37-G39 PolarHBondContact O-N 3.38Å; G37-H40 WeakPolarHBondContact O-CB 3.44Å; G37-H40 PolarHBondContact O-N 2.84Å; G37-K43 PolarHBondContact O-NZ 3.29Å
38	K	90.6	Very high	96.3	Very high	212 Å²	212	34.5 Å²	34.5	92%	0.922	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	132.8	179.1	-173.7	177.4	179.9	178.1	0	109.3	H40	K38-H40 PolarHBondContact O-N 3.09Å; K38-H40 VanDerWaalsContact O-N 3.16Å
39	G	92.8	Very high	96.3	Very high	66 Å²	66	34.3 Å²	34.3	68%	0.68	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	-17.5	-179.1	0	0	0	0	0	115.5	G37	G37-G39 PolarHBondContact O-N 3.38Å
40	H	96.2	Very high	96.4	Very high	29 Å²	29	32.6 Å²	32.6	13%	0.134	18%	0.178	C	C	.	.			trans	-62.3	137.5	-179.9	-162.6	-82.6	0	0	0	111.8	Y36 G37 K38 M42 K43 D127 F178	Y36-H40 WeakPolarHBondContact CB-ND1 3.45Å; Y36-H40 AromaticContact CD1-CE1 3.44Å; Y36-H40 VanDerWaalsContact CD1-CE1 3.44Å; Y36-H40 WeakPolarHBondContact CD1-CE1 3.47Å; Y36-H40 AromaticContact CD1-ND1 3.63Å; Y36-H40 AromaticContact CD1-NE2 3.98Å; Y36-H40 AromaticContact CG-ND1 3.85Å; G37-H40 WeakPolarHBondContact O-CB 3.44Å; G37-H40 PolarHBondContact O-N 2.84Å; K38-H40 PolarHBondContact O-N 3.09Å; K38-H40 VanDerWaalsContact O-N 3.16Å; H40-M42 VanDerWaalsContact CE1-CB 3.48Å; H40-M42 WeakPolarHBondContact CE1-CB 3.44Å; H40-M42 WeakPolarHBondContact ND1-CB 3.38Å; H40-M42 PolarHBondContact ND1-N 3.1Å; H40-M42 VanDerWaalsContact ND1-N 3.1Å; H40-K43 WeakPolarHBondContact O-CE 3.45Å; H40-K43 PolarHBondContact O-NZ 3.39Å; H40-D127 PolarHBondContact NE2-O 3.12Å; H40-F178 AromaticContact CE1-CD1 3.46Å; H40-F178 VanDerWaalsContact CE1-CD1 3.46Å; H40-F178 WeakPolarHBondContact CE1-CD1 3.32Å; H40-F178 AromaticContact CE1-CE1 3.7Å; H40-F178 AromaticContact CE1-CG 3.93Å; H40-F178 AromaticContact NE2-CD1 3.52Å; H40-F178 AromaticContact NE2-CE1 3.58Å
41	V	96.9	Very high	96.6	Very high	26 Å²	26	30.6 Å²	30.6	16%	0.158	17%	0.166	C	C	.	.	S	Bend	trans	-78.5	-32.9	-172.6	-66	0	0	0	0	113.4	K43 F178 L299 Y331	V41-K43 PolarHBondContact O-N 2.87Å; V41-F178 HydrophobicContact CG2-CE1 4.47Å; V41-F178 HydrophobicContact CG2-CE2 3.79Å; V41-F178 HydrophobicContact CG2-CZ 3.64Å; V41-L299 HydrophobicContact CB-CD1 4.47Å; V41-L299 HydrophobicContact CG1-CD2 4.39Å; V41-L299 HydrophobicContact CG2-CD1 3.72Å; V41-L299 HydrophobicContact CG2-CG 4.44Å; V41-Y331 HydrophobicContact CB-CD1 4.07Å; V41-Y331 HydrophobicContact CG2-CD1 3.99Å; V41-Y331 HydrophobicContact CG2-CE1 4.25Å
42	M	97.7	Very high	96.6	Very high	13 Å²	13	31 Å²	31	6%	0.064	17%	0.17	C	C	.	.			trans	-67.7	118.5	171.2	-179.6	55.4	73.6	0	0	110.4	Y36 H40 R46 F178 Y331	Y36-M42 HydrophobicContact CD1-CB 3.94Å; Y36-M42 HydrophobicContact CD1-CG 4.09Å; Y36-M42 HydrophobicContact CD2-CB 4.39Å; Y36-M42 HydrophobicContact CD2-CG 3.93Å; Y36-M42 HydrophobicContact CE1-CB 4.04Å; Y36-M42 HydrophobicContact CE1-CG 3.82Å; Y36-M42 HydrophobicContact CE2-CB 4.49Å; Y36-M42 HydrophobicContact CE2-CG 3.66Å; Y36-M42 HydrophobicContact CG-CB 4.11Å; Y36-M42 HydrophobicContact CG-CG 4.14Å; H40-M42 VanDerWaalsContact CE1-CB 3.48Å; H40-M42 WeakPolarHBondContact CE1-CB 3.44Å; H40-M42 WeakPolarHBondContact ND1-CB 3.38Å; H40-M42 PolarHBondContact ND1-N 3.1Å; H40-M42 VanDerWaalsContact ND1-N 3.1Å; M42-R46 PolarHBondContact SD-NH2 3.4Å; M42-R46 VanDerWaalsContact SD-NH2 3.4Å; M42-F178 HydrophobicContact CB-CB 4.41Å; M42-F178 HydrophobicContact CB-CD2 4.41Å; M42-F178 HydrophobicContact CB-CG 4.39Å; M42-F178 HydrophobicContact CE-CB 4.26Å; M42-F178 HydrophobicContact CE-CD2 4.27Å; M42-Y331 HydrophobicContact CE-CE1 4.09Å
43	K	98	Very high	96.7	Very high	27 Å²	27	31 Å²	31	12%	0.117	17%	0.17	C	C	.	.			trans	-125.9	97.6	179.3	-61.8	-58.1	-172.2	-164.1	0	110.2	G37 H40 V41 H45 R46 I333	G37-K43 PolarHBondContact O-NZ 3.29Å; H40-K43 WeakPolarHBondContact O-CE 3.45Å; H40-K43 PolarHBondContact O-NZ 3.39Å; V41-K43 PolarHBondContact O-N 2.87Å; K43-H45 PolarHBondContact O-N 3.04Å; K43-R46 WeakPolarHBondContact O-CD 3.39Å; K43-R46 WeakPolarHBondContact O-CG 3.36Å; K43-R46 PolarHBondContact O-N 2.88Å; K43-I333 HydrophobicContact CB-CG2 3.96Å; K43-I333 HydrophobicContact CG-CG2 4.37Å
44	P	98.3	Very high	96.8	Very high	2 Å²	2	27 Å²	27	1%	0.013	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-26.1	176.7	-29.9	37.6	0	0	0	114.3	I31 Y34 Y36 R46 M47 F137	I31-P44 WeakPolarHBondContact O-CB 3.06Å; Y34-P44 WeakPolarHBondContact O-CD 3.46Å; Y34-P44 WeakPolarHBondContact O-CG 3.02Å; Y36-P44 HydrophobicContact CD2-CG 3.95Å; Y36-P44 HydrophobicContact CE2-CG 3.9Å; P44-R46 PolarHBondContact O-N 3.38Å; P44-M47 WeakPolarHBondContact O-CB 3.39Å; P44-M47 PolarHBondContact O-N 3.37Å; P44-F137 HydrophobicContact CB-CE2 4.1Å; P44-F137 HydrophobicContact CG-CD2 4.48Å; P44-F137 HydrophobicContact CG-CE2 3.98Å; P44-F137 HydrophobicContact CG-CZ 4.47Å
45	H	98.2	Very high	96.8	Very high	13 Å²	13	28 Å²	28	6%	0.06	16%	0.159	C	C	.	.	H	α-helix	trans	-47	-30.4	171.3	-169.7	96.7	0	0	0	114.2	K43 M47 R48 M49 Y361 E450	K43-H45 PolarHBondContact O-N 3.04Å; H45-M47 PolarHBondContact O-N 2.82Å; H45-R48 WeakPolarHBondContact O-CB 3.47Å; H45-R48 PolarHBondContact O-N 2.99Å; H45-M49 PolarHBondContact O-N 3.24Å; H45-Y361 AromaticContact CE1-CE1 3.54Å; H45-Y361 AromaticContact NE2-CD1 3.62Å; H45-Y361 AromaticContact NE2-CE1 3.27Å; H45-Y361 VanDerWaalsContact NE2-CE1 3.27Å; H45-Y361 WeakPolarHBondContact NE2-CE1 3.24Å; H45-E450 IonicContact CE1-OE1 3.36Å; H45-E450 PolarHBondContact CE1-OE1 3.29Å; H45-E450 VanDerWaalsContact CE1-OE1 3.3Å; H45-E450 IonicContact CE1-OE2 2.61Å; H45-E450 PolarHBondContact CE1-OE2 3.2Å; H45-E450 IonicContact CG-OE1 3.31Å; H45-E450 IonicContact ND1-OE1 3.93Å; H45-E450 PolarHBondContact ND1-OE1 3.22Å; H45-E450 IonicContact ND1-OE2 3.33Å
46	R	98.5	Very high	96.9	Very high	5 Å²	5	27.4 Å²	27.4	2%	0.019	17%	0.166	C	C	.	.	H	α-helix	trans	-57.4	-30.4	176.2	73.1	-162.7	172.5	115	5.7	113.7	M42 K43 P44 M49 A50 G328 G329 G330 I333 V336 W340	M42-R46 PolarHBondContact SD-NH2 3.4Å; M42-R46 VanDerWaalsContact SD-NH2 3.4Å; K43-R46 WeakPolarHBondContact O-CD 3.39Å; K43-R46 WeakPolarHBondContact O-CG 3.36Å; K43-R46 PolarHBondContact O-N 2.88Å; P44-R46 PolarHBondContact O-N 3.38Å; R46-M49 PolarHBondContact O-N 3.02Å; R46-A50 PolarHBondContact O-N 2.96Å; R46-G328 VanDerWaalsContact CZ-O 3.24Å; R46-G328 PolarHBondContact NH1-O 3.08Å; R46-G328 PolarHBondContact NH2-O 3.32Å; R46-G329 VanDerWaalsContact NH1-C 3.28Å; R46-G329 PolarHBondContact NH1-O 3.38Å; R46-G330 WeakPolarHBondContact CD-O 3.41Å; R46-G330 PolarHBondContact NH1-O 2.96Å; R46-I333 HydrophobicContact CB-CB 3.86Å; R46-I333 HydrophobicContact CB-CG2 3.91Å; R46-V336 HydrophobicContact CB-CB 4.37Å; R46-V336 HydrophobicContact CB-CG1 4.23Å; R46-V336 HydrophobicContact CG-CG1 4.04Å; R46-W340 HydrophobicContact CG-CH2 4.36Å; R46-W340 HydrophobicContact CG-CZ3 4.09Å; R46-W340 VanDerWaalsContact NH1-CH2 3.32Å
47	M	98.2	Very high	97.1	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-69.5	-37	176	-60.6	160.8	178.7	0	0	111.5	I31 P44 H45 A50 H51 F137 S164 W340	I31-M47 HydrophobicContact CB-SD 4.41Å; I31-M47 HydrophobicContact CG1-SD 3.51Å; I31-M47 VanDerWaalsContact CG1-SD 3.51Å; I31-M47 HydrophobicContact CG2-CB 3.92Å; I31-M47 HydrophobicContact CG2-SD 4Å; P44-M47 WeakPolarHBondContact O-CB 3.39Å; P44-M47 PolarHBondContact O-N 3.37Å; H45-M47 PolarHBondContact O-N 2.82Å; M47-A50 PolarHBondContact O-N 2.84Å; M47-H51 WeakPolarHBondContact O-CB 3.45Å; M47-H51 PolarHBondContact O-N 3.13Å; M47-F137 HydrophobicContact CE-CE2 4.35Å; M47-F137 HydrophobicContact CE-CZ 4.47Å; M47-S164 WeakPolarHBondContact CE-O 3.46Å; M47-W340 HydrophobicContact CG-CZ3 3.94Å
48	R	98.3	Very high	97.4	Very high	21 Å²	21	28.2 Å²	28.2	8%	0.079	17%	0.167	C	C	.	.	H	α-helix	trans	-67.9	-42.5	174	-178.3	179	-66.3	158	-4.1	111.4	S29 N33 H45 A50 H51 A52 Y361	S29-R48 PolarHBondContact O-NH2 2.79Å; N33-R48 PolarHBondContact ND2-NH2 2.96Å; N33-R48 VanDerWaalsContact OD1-CZ 3.23Å; N33-R48 PolarHBondContact OD1-NH1 3.45Å; N33-R48 PolarHBondContact OD1-NH2 3.02Å; H45-R48 WeakPolarHBondContact O-CB 3.47Å; H45-R48 PolarHBondContact O-N 2.99Å; R48-A50 VanDerWaalsContact C-N 3.32Å; R48-A50 PolarHBondContact O-N 2.7Å; R48-H51 PolarHBondContact O-N 3.16Å; R48-A52 PolarHBondContact O-N 2.82Å; R48-Y361 WeakPolarHBondContact CD-OH 3.36Å; R48-Y361 HydrophobicContact CG-CE2 4.17Å; R48-Y361 VanDerWaalsContact CG-OH 3.29Å; R48-Y361 WeakPolarHBondContact CG-OH 3.41Å
49	M	98.6	Very high	97.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-43.4	173.9	-65.6	174.7	69	0	0	111.8	H45 R46 A52 L53 I333 A337 Y361 Y364 Y365	H45-M49 PolarHBondContact O-N 3.24Å; R46-M49 PolarHBondContact O-N 3.02Å; M49-A52 PolarHBondContact O-N 2.85Å; M49-L53 PolarHBondContact O-N 2.86Å; M49-L53 VanDerWaalsContact O-N 3.12Å; M49-I333 HydrophobicContact CE-CG1 4.34Å; M49-I333 HydrophobicContact SD-CB 4.22Å; M49-I333 HydrophobicContact SD-CD1 3.73Å; M49-I333 HydrophobicContact SD-CG1 3.89Å; M49-A337 HydrophobicContact CB-CB 3.64Å; M49-A337 HydrophobicContact CE-CB 4.44Å; M49-Y361 HydrophobicContact CB-CD2 4.41Å; M49-Y361 HydrophobicContact CG-CD1 4.1Å; M49-Y361 HydrophobicContact CG-CD2 4.15Å; M49-Y361 HydrophobicContact CG-CG 3.95Å; M49-Y364 HydrophobicContact CE-CD1 3.79Å; M49-Y364 HydrophobicContact CE-CG 3.79Å; M49-Y364 HydrophobicContact SD-CD1 4.43Å; M49-Y365 HydrophobicContact CE-CE1 4.27Å; M49-Y365 WeakPolarHBondContact CE-OH 3.39Å
50	A	98.6	Very high	97.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.8	-48.9	174.9	0	0	0	0	0	111.2	R46 M47 R48 A52 L53 I54 A337 W340 T341	R46-A50 PolarHBondContact O-N 2.96Å; M47-A50 PolarHBondContact O-N 2.84Å; R48-A50 VanDerWaalsContact C-N 3.32Å; R48-A50 PolarHBondContact O-N 2.7Å; A50-A52 VanDerWaalsContact C-N 3.34Å; A50-A52 PolarHBondContact O-N 3.14Å; A50-L53 PolarHBondContact O-N 3.31Å; A50-I54 WeakPolarHBondContact O-CB 3.11Å; A50-I54 WeakPolarHBondContact O-CG1 3.31Å; A50-I54 PolarHBondContact O-N 3.01Å; A50-A337 HydrophobicContact CB-CB 4.49Å; A50-W340 HydrophobicContact CB-CB 4.29Å; A50-W340 HydrophobicContact CB-CE3 4.08Å; A50-T341 PolarHBondContact O-OG1 2.86Å
51	H	98.6	Very high	97.5	Very high	33 Å²	33	19.7 Å²	19.7	15%	0.153	12%	0.118	C	C	.	.	H	α-helix	trans	-55.3	-47.4	177.4	-176.3	81.8	0	0	0	112.4	Y25 Y27 M47 R48 L53 I54 C55	Y25-H51 AromaticContact CE1-ND1 3.45Å; Y25-H51 WeakPolarHBondContact CE1-ND1 3.29Å; Y25-H51 AromaticContact CZ-ND1 3.92Å; Y25-H51 PolarHBondContact OH-ND1 3.15Å; Y27-H51 AromaticContact CD1-CD2 3.95Å; Y27-H51 AromaticContact CD1-CE1 3.33Å; Y27-H51 WeakPolarHBondContact CD1-CE1 3.4Å; Y27-H51 AromaticContact CD1-CG 3.71Å; Y27-H51 AromaticContact CD1-ND1 3.3Å; Y27-H51 VanDerWaalsContact CD1-ND1 3.3Å; Y27-H51 WeakPolarHBondContact CD1-ND1 2.98Å; Y27-H51 AromaticContact CD1-NE2 3.75Å; Y27-H51 HydrophobicContact CD2-CB 3.93Å; Y27-H51 AromaticContact CD2-CG 3.92Å; Y27-H51 AromaticContact CD2-ND1 3.74Å; Y27-H51 HydrophobicContact CE1-CB 4.2Å; Y27-H51 AromaticContact CE1-CD2 3.53Å; Y27-H51 AromaticContact CE1-CE1 3.73Å; Y27-H51 AromaticContact CE1-CG 3.53Å; Y27-H51 AromaticContact CE1-ND1 3.65Å; Y27-H51 AromaticContact CE1-NE2 3.67Å; Y27-H51 HydrophobicContact CE2-CB 3.56Å; Y27-H51 AromaticContact CE2-CG 3.78Å; Y27-H51 HydrophobicContact CG-CB 4.4Å; Y27-H51 AromaticContact CG-CE1 3.8Å; Y27-H51 AromaticContact CG-CG 3.89Å; Y27-H51 AromaticContact CG-ND1 3.34Å; Y27-H51 VanDerWaalsContact CG-ND1 3.34Å; Y27-H51 AromaticContact CZ-CD2 3.84Å; Y27-H51 AromaticContact CZ-CG 3.57Å; M47-H51 WeakPolarHBondContact O-CB 3.45Å; M47-H51 PolarHBondContact O-N 3.13Å; R48-H51 PolarHBondContact O-N 3.16Å; H51-L53 VanDerWaalsContact C-N 3.35Å; H51-L53 PolarHBondContact O-N 2.93Å; H51-I54 PolarHBondContact O-N 3.32Å; H51-C55 PolarHBondContact O-N 3.24Å
52	A	98.4	Very high	97.4	Very high	12 Å²	12	20.8 Å²	20.8	10%	0.099	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-40.6	179	0	0	0	0	0	112.5	R48 M49 A50 G56 T359 Y361	R48-A52 PolarHBondContact O-N 2.82Å; M49-A52 PolarHBondContact O-N 2.85Å; A50-A52 VanDerWaalsContact C-N 3.34Å; A50-A52 PolarHBondContact O-N 3.14Å; A52-G56 PolarHBondContact O-N 3.43Å; A52-T359 HydrophobicContact CB-CG2 4.37Å; A52-T359 WeakPolarHBondContact O-CG2 3.35Å; A52-Y361 HydrophobicContact CB-CD2 3.76Å; A52-Y361 HydrophobicContact CB-CE2 3.62Å
53	L	98.5	Very high	97.3	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-68.5	-42.1	174.9	-77.4	-174.2	0	0	0	112.5	M49 A50 H51 C55 G56 Y57 A337 T341 L356 P357 T359 Y365	M49-L53 PolarHBondContact O-N 2.86Å; M49-L53 VanDerWaalsContact O-N 3.12Å; A50-L53 PolarHBondContact O-N 3.31Å; H51-L53 VanDerWaalsContact C-N 3.35Å; H51-L53 PolarHBondContact O-N 2.93Å; L53-C55 VanDerWaalsContact C-N 3.33Å; L53-C55 PolarHBondContact O-N 3.29Å; L53-G56 PolarHBondContact O-N 3.38Å; L53-Y57 WeakPolarHBondContact O-CD2 3.37Å; L53-Y57 PolarHBondContact O-N 3.36Å; L53-A337 HydrophobicContact CD1-CB 4.05Å; L53-T341 HydrophobicContact CB-CG2 3.94Å; L53-T341 WeakPolarHBondContact CB-OG1 3.42Å; L53-L356 HydrophobicContact CD1-CD2 4.04Å; L53-L356 HydrophobicContact CD2-CD2 3.87Å; L53-P357 HydrophobicContact CD2-CG 4.27Å; L53-T359 HydrophobicContact CD2-CG2 4Å; L53-Y365 HydrophobicContact CD1-CE1 4.08Å; L53-Y365 HydrophobicContact CD1-CE2 4.36Å; L53-Y365 WeakPolarHBondContact CD1-OH 3.42Å; L53-Y365 HydrophobicContact CD2-CE2 4.19Å; L53-Y365 HydrophobicContact CG-CE2 4.43Å
54	I	98.4	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-56.1	-48.6	176	-71.2	166.1	0	0	0	110.2	Y25 A50 H51 G58 L59 M63 T341 T344	Y25-I54 HydrophobicContact CE1-CD1 4.39Å; A50-I54 WeakPolarHBondContact O-CB 3.11Å; A50-I54 WeakPolarHBondContact O-CG1 3.31Å; A50-I54 PolarHBondContact O-N 3.01Å; H51-I54 PolarHBondContact O-N 3.32Å; I54-G58 PolarHBondContact O-N 3.13Å; I54-L59 HydrophobicContact CG2-CB 3.9Å; I54-L59 HydrophobicContact CG2-CD1 4.4Å; I54-L59 WeakPolarHBondContact O-CB 3.31Å; I54-L59 PolarHBondContact O-N 3.05Å; I54-M63 HydrophobicContact CG2-CE 3.39Å; I54-T341 HydrophobicContact CG1-CG2 4.23Å; I54-T344 HydrophobicContact CD1-CG2 4.37Å; I54-T344 WeakPolarHBondContact CD1-OG1 3.45Å; I54-T344 HydrophobicContact CG1-CG2 4.37Å; I54-T344 HydrophobicContact CG2-CG2 4.02Å
55	C	97.6	Very high	97.1	Very high	50 Å²	50	23 Å²	23	34%	0.338	13%	0.13	S	C	.	.	H	α-helix	trans	-72.1	-34.8	176.5	-71.4	0	0	0	0	112.8	H51 L53 Y57 G58 C60	H51-C55 PolarHBondContact O-N 3.24Å; L53-C55 VanDerWaalsContact C-N 3.33Å; L53-C55 PolarHBondContact O-N 3.29Å; C55-Y57 VanDerWaalsContact C-N 3.28Å; C55-Y57 PolarHBondContact O-N 3.08Å; C55-G58 WeakPolarHBondContact O-CA 3.2Å; C55-G58 PolarHBondContact O-N 3.36Å; C55-C60 WeakPolarHBondContact CA-SG 3.26Å; C55-C60 HydrophobicContact CB-CB 4.12Å; C55-C60 WeakPolarHBondContact CB-SG 3.3Å; C55-C60 PolarHBondContact N-SG 2.94Å; C55-C60 VanDerWaalsContact N-SG 3.36Å; C55-C60 WeakPolarHBondContact SG-CB 3.23Å; C55-C60 CovalentContact SG-SG 2.06Å; C55-C60 PolarHBondContact SG-SG 3.43Å
56	G	97.7	Very high	97	Very high	37 Å²	37	23 Å²	23	38%	0.381	13%	0.131	S	C	.	.	H	α-helix	trans	-60.1	-34.5	174.4	0	0	0	0	0	113.5	A52 L53 G58 P357	A52-G56 PolarHBondContact O-N 3.43Å; L53-G56 PolarHBondContact O-N 3.38Å; G56-G58 PolarHBondContact O-N 3.29Å; G56-P357 VanDerWaalsContact C-CG 3.42Å; G56-P357 VanDerWaalsContact O-CB 3.28Å; G56-P357 WeakPolarHBondContact O-CB 3.33Å
57	Y	98	Very high	97	Very high	27 Å²	27	28.9 Å²	28.9	11%	0.106	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-4.3	172.2	-83.2	-66.9	0	0	0	113.5	L53 C55 L59 T341 V352 P353 K355 L356 P357 L371	L53-Y57 WeakPolarHBondContact O-CD2 3.37Å; L53-Y57 PolarHBondContact O-N 3.36Å; C55-Y57 VanDerWaalsContact C-N 3.28Å; C55-Y57 PolarHBondContact O-N 3.08Å; Y57-L59 VanDerWaalsContact C-N 3.26Å; Y57-L59 PolarHBondContact O-N 2.85Å; Y57-T341 HydrophobicContact CD2-CG2 3.49Å; Y57-T341 VanDerWaalsContact CD2-CG2 3.49Å; Y57-T341 HydrophobicContact CE2-CG2 3.8Å; Y57-V352 HydrophobicContact CD1-CB 3.78Å; Y57-V352 HydrophobicContact CD1-CG1 3.88Å; Y57-V352 HydrophobicContact CE1-CB 3.89Å; Y57-V352 HydrophobicContact CE1-CG1 4.49Å; Y57-V352 HydrophobicContact CG-CB 4.26Å; Y57-V352 HydrophobicContact CG-CG1 4Å; Y57-P353 HydrophobicContact CD1-CG 4.46Å; Y57-P353 HydrophobicContact CE1-CG 3.95Å; Y57-P353 WeakPolarHBondContact CE1-O 3.39Å; Y57-P353 PolarHBondContact OH-O 3.08Å; Y57-P353 VanDerWaalsContact OH-O 3.07Å; Y57-K355 PolarHBondContact OH-O 2.89Å; Y57-L356 HydrophobicContact CE2-CD2 4.09Å; Y57-P357 HydrophobicContact CD1-CG 4.41Å; Y57-P357 HydrophobicContact CD2-CG 4.01Å; Y57-P357 VanDerWaalsContact CE2-CD 3.48Å; Y57-P357 HydrophobicContact CE2-CG 4.16Å; Y57-P357 HydrophobicContact CG-CG 4.15Å; Y57-P357 VanDerWaalsContact CZ-CD 3.42Å; Y57-L371 HydrophobicContact CE2-CD1 4.14Å; Y57-L371 HydrophobicContact CE2-CD2 4.4Å
58	G	96.4	Very high	96.9	Very high	15 Å²	15	29 Å²	29	16%	0.155	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	22.5	-175.4	0	0	0	0	0	113.4	I54 C55 G56 N61 K350	I54-G58 PolarHBondContact O-N 3.13Å; C55-G58 WeakPolarHBondContact O-CA 3.2Å; C55-G58 PolarHBondContact O-N 3.36Å; G56-G58 PolarHBondContact O-N 3.29Å; G58-N61 PolarHBondContact O-N 3.2Å; G58-N61 PolarHBondContact O-ND2 2.74Å; G58-K350 PolarHBondContact O-NZ 3.18Å; G58-K350 VanDerWaalsContact O-NZ 3.08Å
59	L	96.3	Very high	96.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-69.1	-26.7	174.8	-59.1	179	0	0	0	111.3	I54 Y57 N61 D62 T341 T344 V348 K350 V352	I54-L59 HydrophobicContact CG2-CB 3.9Å; I54-L59 HydrophobicContact CG2-CD1 4.4Å; I54-L59 WeakPolarHBondContact O-CB 3.31Å; I54-L59 PolarHBondContact O-N 3.05Å; Y57-L59 VanDerWaalsContact C-N 3.26Å; Y57-L59 PolarHBondContact O-N 2.85Å; L59-N61 PolarHBondContact O-N 3.08Å; L59-D62 PolarHBondContact O-N 2.66Å; L59-T341 HydrophobicContact CD1-CG2 4.4Å; L59-T344 HydrophobicContact CB-CG2 4.46Å; L59-T344 HydrophobicContact CD1-CG2 4.1Å; L59-V348 HydrophobicContact CD2-CG2 4.11Å; L59-K350 HydrophobicContact CD2-CB 4.17Å; L59-K350 HydrophobicContact CD2-CD 3.85Å; L59-K350 HydrophobicContact CD2-CG 4.2Å; L59-V352 HydrophobicContact CD2-CG1 3.77Å; L59-V352 HydrophobicContact CG-CG1 4.42Å
60	C	93.4	Very high	96.9	Very high	15 Å²	15	33.5 Å²	33.5	10%	0.101	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-56.1	-22.2	174.9	-64.9	0	0	0	0	113.2	C55 D62 I65	C55-C60 WeakPolarHBondContact CA-SG 3.26Å; C55-C60 HydrophobicContact CB-CB 4.12Å; C55-C60 WeakPolarHBondContact CB-SG 3.3Å; C55-C60 PolarHBondContact N-SG 2.94Å; C55-C60 VanDerWaalsContact N-SG 3.36Å; C55-C60 WeakPolarHBondContact SG-CB 3.23Å; C55-C60 CovalentContact SG-SG 2.06Å; C55-C60 PolarHBondContact SG-SG 3.43Å; C60-D62 VanDerWaalsContact C-N 3.35Å; C60-I65 HydrophobicContact CB-CD1 3.41Å; C60-I65 VanDerWaalsContact CB-CD1 3.41Å; C60-I65 WeakPolarHBondContact SG-CD1 3.45Å
61	N	93.2	Very high	96.8	Very high	114 Å²	114	33.5 Å²	33.5	61%	0.61	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-79.8	-16.5	176.6	-62	-51.4	0	0	0	113.9	G58 L59	G58-N61 PolarHBondContact O-N 3.2Å; G58-N61 PolarHBondContact O-ND2 2.74Å; L59-N61 PolarHBondContact O-N 3.08Å
62	D	94.4	Very high	96.8	Very high	49 Å²	49	33 Å²	33	26%	0.262	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-104	7.8	-171.2	-58.5	-66.4	0	0	0	112.6	F19 R20 L59 C60 V348 K350	F19-D62 CarbonylContact C-O 3.47Å; R20-D62 WeakPolarHBondContact CA-O 3.47Å; L59-D62 PolarHBondContact O-N 2.66Å; C60-D62 VanDerWaalsContact C-N 3.35Å; D62-V348 HydrophobicContact CB-CB 4.14Å; D62-V348 HydrophobicContact CB-CG1 4.4Å; D62-V348 HydrophobicContact CB-CG2 4.29Å; D62-K350 WeakPolarHBondContact OD2-CD 3.48Å; D62-K350 WeakPolarHBondContact OD2-CE 3.49Å; D62-K350 IonicContact OD2-NZ 2.66Å; D62-K350 PolarHBondContact OD2-NZ 2.97Å
63	M	95.9	Very high	96.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-150.7	165.9	-179.5	59.4	-172.1	179.8	0	0	111.3	V23 Y25 I54 I65 T344 V348	V23-M63 HydrophobicContact CB-CB 3.86Å; V23-M63 HydrophobicContact CG1-CB 3.96Å; V23-M63 HydrophobicContact CG1-SD 4.4Å; V23-M63 WeakPolarHBondContact O-CB 3.35Å; Y25-M63 HydrophobicContact CD1-CE 3.49Å; Y25-M63 VanDerWaalsContact CD1-CE 3.49Å; Y25-M63 HydrophobicContact CD1-SD 4.36Å; Y25-M63 HydrophobicContact CE1-CE 4.28Å; Y25-M63 HydrophobicContact CG-CE 3.92Å; Y25-M63 HydrophobicContact CG-SD 4.23Å; I54-M63 HydrophobicContact CG2-CE 3.39Å; M63-I65 HydrophobicContact CE-CD1 4.3Å; M63-I65 HydrophobicContact CE-CG1 4.39Å; M63-I65 HydrophobicContact CG-CG1 4.44Å; M63-T344 HydrophobicContact CE-CG2 3.79Å; M63-T344 HydrophobicContact SD-CG2 3.79Å; M63-V348 HydrophobicContact CB-CG1 4.13Å; M63-V348 HydrophobicContact CG-CG1 4.45Å; M63-V348 HydrophobicContact SD-CG1 4.1Å
64	Y	95.2	Very high	96.7	Very high	79 Å²	79	38.7 Å²	38.7	31%	0.31	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.4	166.9	-71.8	-73.1	0	0	0	110.1	R20 V23 V24 Y25	R20-Y64 WeakPolarHBondContact O-CD2 3.15Å; R20-Y64 WeakPolarHBondContact O-CE2 3.29Å; V23-Y64 PolarHBondContact O-N 2.84Å; V24-Y64 CarbonylContact C-O 3.55Å; V24-Y64 WeakPolarHBondContact CA-O 3.44Å; Y25-Y64 PolarHBondContact N-O 2.92Å
65	I	95.9	Very high	96.7	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.046	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.4	173.1	-54	-172.5	0	0	0	108.1	Y25 C60 M63 L436	Y25-I65 HydrophobicContact CD1-CD1 4.17Å; Y25-I65 HydrophobicContact CD1-CG1 4.06Å; Y25-I65 HydrophobicContact CD1-CG2 4.16Å; Y25-I65 WeakPolarHBondContact O-CA 3.31Å; C60-I65 HydrophobicContact CB-CD1 3.41Å; C60-I65 VanDerWaalsContact CB-CD1 3.41Å; C60-I65 WeakPolarHBondContact SG-CD1 3.45Å; M63-I65 HydrophobicContact CE-CD1 4.3Å; M63-I65 HydrophobicContact CE-CG1 4.39Å; M63-I65 HydrophobicContact CG-CG1 4.44Å; I65-L436 HydrophobicContact CG2-CD1 4.15Å
66	L	96.7	Very high	96.8	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.063	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.5	-174.5	-58.7	174.4	0	0	0	109.5	V24 Y25 Y26 Y27 R151	V24-L66 HydrophobicContact CB-CD1 4.33Å; V24-L66 HydrophobicContact CG1-CD1 4.32Å; Y25-L66 PolarHBondContact O-N 3.24Å; Y26-L66 VanDerWaalsContact CA-O 3.31Å; Y26-L66 WeakPolarHBondContact CA-O 3.21Å; Y26-L66 HydrophobicContact CD1-CB 4.06Å; Y26-L66 HydrophobicContact CE1-CB 3.87Å; Y26-L66 HydrophobicContact CE1-CD1 4.17Å; Y26-L66 HydrophobicContact CE2-CD1 4.43Å; Y27-L66 PolarHBondContact N-O 3.4Å; L66-R151 VanDerWaalsContact CD1-CZ 3.4Å; L66-R151 VanDerWaalsContact CD1-NH2 3.31Å
67	R	97.9	Very high	96.8	Very high	129 Å²	129	35.9 Å²	35.9	49%	0.487	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-82.4	129.7	167.6	-170.4	-178.1	-177.1	-179.5	2.4	108.5	D28	D28-R67 HydrophobicContact CB-CG 4.43Å; D28-R67 IonicContact OD1-NH2 3.79Å; D28-R67 IonicContact OD2-CZ 3.84Å; D28-R67 IonicContact OD2-NE 3.25Å; D28-R67 PolarHBondContact OD2-NE 2.79Å; D28-R67 IonicContact OD2-NH2 2.92Å; D28-R67 PolarHBondContact OD2-NH2 2.88Å
68	P	97.5	Very high	96.8	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.032	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-67	149.7	173.9	30.3	-36.1	0	0	0	110.8	Y26 D28 G144 D147	Y26-P68 HydrophobicContact CD1-CB 4.06Å; D28-P68 HydrophobicContact CB-CG 4.03Å; P68-G144 VanDerWaalsContact CB-CA 3.49Å; P68-D147 WeakPolarHBondContact CA-OD2 3.13Å
69	H	97.5	Very high	96.9	Very high	52 Å²	52	38 Å²	38	24%	0.241	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-69.4	160.6	162.5	78.1	-85	0	0	0	110.2	A71 E75 G143 D147	H69-A71 PolarHBondContact CD2-N 3.12Å; H69-A71 WeakPolarHBondContact NE2-CA 3.46Å; H69-A71 PolarHBondContact O-N 3.29Å; H69-E75 IonicContact CD2-OE2 3.37Å; H69-E75 IonicContact CE1-OE1 2.76Å; H69-E75 IonicContact NE2-OE1 3.73Å; H69-E75 PolarHBondContact NE2-OE1 3.17Å; H69-E75 IonicContact NE2-OE2 2.74Å; H69-E75 PolarHBondContact NE2-OE2 2.97Å; H69-G143 WeakPolarHBondContact O-CA 3.33Å; H69-D147 IonicContact CE1-OD1 3.95Å; H69-D147 PolarHBondContact CE1-OD1 3.16Å; H69-D147 VanDerWaalsContact CE1-OD1 3.25Å; H69-D147 IonicContact CE1-OD2 2.69Å; H69-D147 IonicContact CG-OD1 3.66Å; H69-D147 IonicContact CG-OD2 3.31Å; H69-D147 PolarHBondContact N-OD2 2.99Å; H69-D147 IonicContact ND1-OD1 3.84Å; H69-D147 PolarHBondContact ND1-OD1 2.8Å; H69-D147 IonicContact ND1-OD2 3.51Å; H69-D147 PolarHBondContact ND1-OD2 2.59Å
70	D	97.9	Very high	97	Very high	65 Å²	65	38 Å²	38	35%	0.348	18%	0.181	S	C	.	.			trans	-86.2	102.8	172.6	-71.4	-17.2	0	0	0	108.9	T72 R139 K140	D70-T72 PolarHBondContact O-N 3.2Å; D70-R139 HydrophobicContact CB-CB 4.19Å; D70-R139 PolarHBondContact O-NH2 3.16Å; D70-K140 WeakPolarHBondContact OD1-CG 3.38Å; D70-K140 IonicContact OD1-NZ 3.08Å; D70-K140 PolarHBondContact OD1-NZ 3.02Å; D70-K140 IonicContact OD2-NZ 3Å; D70-K140 PolarHBondContact OD2-NZ 3.42Å
71	A	98.4	Very high	97.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.186	C	C	.	.			trans	-44.5	129.7	-176.4	0	0	0	0	0	112	H69 E75 L76 R139 A142 I146	H69-A71 PolarHBondContact CD2-N 3.12Å; H69-A71 WeakPolarHBondContact NE2-CA 3.46Å; H69-A71 PolarHBondContact O-N 3.29Å; A71-E75 WeakPolarHBondContact CA-OE2 3.47Å; A71-L76 HydrophobicContact CB-CD2 3.98Å; A71-L76 HydrophobicContact CB-CG 4.33Å; A71-R139 WeakPolarHBondContact CB-O 3.22Å; A71-R139 PolarHBondContact N-O 2.62Å; A71-R139 VanDerWaalsContact O-CG 3.28Å; A71-R139 WeakPolarHBondContact O-CG 3.44Å; A71-R139 PolarHBondContact O-NE 3.43Å; A71-R139 PolarHBondContact O-NH2 3.2Å; A71-A142 HydrophobicContact CB-CB 3.84Å; A71-I146 HydrophobicContact CB-CD1 4.2Å
72	T	98.1	Very high	97.1	Very high	21 Å²	21	37.4 Å²	37.4	13%	0.129	18%	0.179	C	C	.	.			trans	-77.8	168.9	-174.8	78.5	0	0	0	0	111.9	D70 E74 E75 L76 L420	D70-T72 PolarHBondContact O-N 3.2Å; T72-E74 WeakPolarHBondContact CB-OE2 3.26Å; T72-E74 PolarHBondContact O-N 3.1Å; T72-E74 PolarHBondContact OG1-N 3.06Å; T72-E74 PolarHBondContact OG1-OE2 3.4Å; T72-E75 PolarHBondContact N-OE2 3.5Å; T72-E75 PolarHBondContact O-N 3.46Å; T72-E75 PolarHBondContact OG1-N 2.9Å; T72-L76 VanDerWaalsContact O-CG 3.26Å; T72-L76 WeakPolarHBondContact O-CG 3.06Å; T72-L76 PolarHBondContact O-N 3.45Å; T72-L420 HydrophobicContact CG2-CD1 3.53Å; T72-L420 HydrophobicContact CG2-CD2 4.05Å; T72-L420 HydrophobicContact CG2-CG 4.4Å
73	F	97.5	Very high	97	Very high	44 Å²	44	37.9 Å²	37.9	19%	0.193	18%	0.182	C	C	.	.	H	α-helix	trans	-56.7	-45.1	174.5	-179.1	-91.5	0	0	0	110.4	E75 L76 T77 D82 I85 E86	F73-E75 VanDerWaalsContact C-N 3.31Å; F73-E75 PolarHBondContact O-N 2.76Å; F73-L76 PolarHBondContact O-N 2.95Å; F73-T77 HydrophobicContact CD1-CG2 4.09Å; F73-T77 HydrophobicContact CE1-CG2 3.7Å; F73-T77 HydrophobicContact CE2-CG2 4.19Å; F73-T77 HydrophobicContact CG-CG2 4.49Å; F73-T77 HydrophobicContact CZ-CG2 3.76Å; F73-T77 WeakPolarHBondContact O-CG2 3.23Å; F73-T77 PolarHBondContact O-N 3.46Å; F73-T77 PolarHBondContact O-OG1 3.36Å; F73-T77 VanDerWaalsContact O-OG1 3.11Å; F73-D82 HydrophobicContact CZ-CB 4.12Å; F73-I85 HydrophobicContact CD2-CB 4.15Å; F73-I85 HydrophobicContact CD2-CG2 3.42Å; F73-I85 VanDerWaalsContact CD2-CG2 3.42Å; F73-I85 HydrophobicContact CE2-CB 3.8Å; F73-I85 HydrophobicContact CE2-CG2 3.59Å; F73-I85 HydrophobicContact CG-CG2 4.4Å; F73-E86 HydrophobicContact CE2-CG 3.69Å; F73-E86 HydrophobicContact CZ-CG 3.87Å
74	E	97.8	Very high	96.9	Very high	89 Å²	89	37.9 Å²	37.9	42%	0.416	18%	0.182	S	C	.	.	H	α-helix	trans	-64.5	-32.2	-179.2	-57.4	73	-158.2	0	0	112.8	T72 Q78	T72-E74 WeakPolarHBondContact CB-OE2 3.26Å; T72-E74 PolarHBondContact O-N 3.1Å; T72-E74 PolarHBondContact OG1-N 3.06Å; T72-E74 PolarHBondContact OG1-OE2 3.4Å; E74-Q78 WeakPolarHBondContact O-CG 3.44Å; E74-Q78 PolarHBondContact O-NE2 3.41Å
75	E	98.2	Very high	96.9	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-74.8	-42.4	174.9	-68.1	174.7	121.7	0	0	111.1	H69 A71 T72 F73 T77 Q78 I146 L186 L416	H69-E75 IonicContact CD2-OE2 3.37Å; H69-E75 IonicContact CE1-OE1 2.76Å; H69-E75 IonicContact NE2-OE1 3.73Å; H69-E75 PolarHBondContact NE2-OE1 3.17Å; H69-E75 IonicContact NE2-OE2 2.74Å; H69-E75 PolarHBondContact NE2-OE2 2.97Å; A71-E75 WeakPolarHBondContact CA-OE2 3.47Å; T72-E75 PolarHBondContact N-OE2 3.5Å; T72-E75 PolarHBondContact O-N 3.46Å; T72-E75 PolarHBondContact OG1-N 2.9Å; F73-E75 VanDerWaalsContact C-N 3.31Å; F73-E75 PolarHBondContact O-N 2.76Å; E75-T77 VanDerWaalsContact C-N 3.34Å; E75-T77 PolarHBondContact O-N 2.98Å; E75-Q78 WeakPolarHBondContact O-CB 3.34Å; E75-Q78 WeakPolarHBondContact O-CG 3.47Å; E75-Q78 PolarHBondContact O-N 3.13Å; E75-I146 HydrophobicContact CB-CD1 4.15Å; E75-L186 WeakPolarHBondContact O-CD2 3.29Å; E75-L416 HydrophobicContact CG-CB 4.18Å
76	L	98.4	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-39	178.8	-65.9	-178.3	0	0	0	112.3	A71 T72 F73 Q78 H80 I85 I135 R139 A142 V181 L186	A71-L76 HydrophobicContact CB-CD2 3.98Å; A71-L76 HydrophobicContact CB-CG 4.33Å; T72-L76 VanDerWaalsContact O-CG 3.26Å; T72-L76 WeakPolarHBondContact O-CG 3.06Å; T72-L76 PolarHBondContact O-N 3.45Å; F73-L76 PolarHBondContact O-N 2.95Å; L76-Q78 PolarHBondContact O-N 3.42Å; L76-H80 WeakPolarHBondContact O-CB 3.39Å; L76-H80 PolarHBondContact O-CD2 2.94Å; L76-H80 PolarHBondContact O-N 3.35Å; L76-H80 VanDerWaalsContact O-N 3.16Å; L76-I85 HydrophobicContact CB-CD1 3.97Å; L76-I85 HydrophobicContact CB-CG1 4.02Å; L76-I85 HydrophobicContact CB-CG2 4.23Å; L76-I85 HydrophobicContact CD1-CD1 4.36Å; L76-I85 HydrophobicContact CD1-CG2 4Å; L76-I135 HydrophobicContact CD1-CD1 4.28Å; L76-R139 HydrophobicContact CD1-CG 4.18Å; L76-A142 HydrophobicContact CD2-CB 3.8Å; L76-V181 HydrophobicContact CD2-CG1 3.6Å; L76-V181 HydrophobicContact CD2-CG2 4.23Å; L76-L186 HydrophobicContact CD2-CD1 3.82Å
77	T	97.8	Very high	96.5	Very high	26 Å²	26	37.4 Å²	37.4	16%	0.16	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	2.9	-177.5	58.3	0	0	0	0	114.6	F73 E75 F79 H80 D82 I85	F73-T77 HydrophobicContact CD1-CG2 4.09Å; F73-T77 HydrophobicContact CE1-CG2 3.7Å; F73-T77 HydrophobicContact CE2-CG2 4.19Å; F73-T77 HydrophobicContact CG-CG2 4.49Å; F73-T77 HydrophobicContact CZ-CG2 3.76Å; F73-T77 WeakPolarHBondContact O-CG2 3.23Å; F73-T77 PolarHBondContact O-N 3.46Å; F73-T77 PolarHBondContact O-OG1 3.36Å; F73-T77 VanDerWaalsContact O-OG1 3.11Å; E75-T77 VanDerWaalsContact C-N 3.34Å; E75-T77 PolarHBondContact O-N 2.98Å; T77-F79 PolarHBondContact O-N 3.34Å; T77-H80 CarbonylContact C-O 3.53Å; T77-H80 VanDerWaalsContact CA-O 3.25Å; T77-H80 WeakPolarHBondContact CA-O 3.5Å; T77-H80 VanDerWaalsContact O-O 3.1Å; T77-D82 VanDerWaalsContact CB-OD1 3.24Å; T77-D82 WeakPolarHBondContact CB-OD1 3.25Å; T77-D82 HydrophobicContact CG2-CB 4.48Å; T77-D82 VanDerWaalsContact CG2-OD1 3.3Å; T77-D82 WeakPolarHBondContact CG2-OD1 3.21Å; T77-I85 HydrophobicContact CG2-CB 4.01Å; T77-I85 HydrophobicContact CG2-CG1 3.78Å
78	Q	97.9	Very high	96.3	Very high	65 Å²	65	31.3 Å²	31.3	30%	0.304	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.9	172.8	-66.5	-80.6	-26.9	0	0	111.6	E74 E75 L76 L186 M413 L416	E74-Q78 WeakPolarHBondContact O-CG 3.44Å; E74-Q78 PolarHBondContact O-NE2 3.41Å; E75-Q78 WeakPolarHBondContact O-CB 3.34Å; E75-Q78 WeakPolarHBondContact O-CG 3.47Å; E75-Q78 PolarHBondContact O-N 3.13Å; L76-Q78 PolarHBondContact O-N 3.42Å; Q78-L186 HydrophobicContact CB-CD2 4.29Å; Q78-M413 VanDerWaalsContact OE1-CE 3.32Å; Q78-L416 HydrophobicContact CB-CD2 4.04Å; Q78-L416 HydrophobicContact CG-CD2 3.38Å
79	F	98.5	Very high	96	Very high	20 Å²	20	33.3 Å²	33.3	9%	0.088	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-54.8	167.5	173	-121.5	0	0	0	111.6	T77 R172 N182 V185 L186 L189 A214	T77-F79 PolarHBondContact O-N 3.34Å; F79-R172 HydrophobicContact CE1-CB 4.48Å; F79-R172 HydrophobicContact CE2-CB 4.13Å; F79-R172 HydrophobicContact CZ-CB 3.95Å; F79-R172 WeakPolarHBondContact O-CG 3.37Å; F79-R172 PolarHBondContact O-NE 2.94Å; F79-N182 HydrophobicContact CD1-CB 4.26Å; F79-N182 HydrophobicContact CE1-CB 4.01Å; F79-V185 HydrophobicContact CB-CG1 3.87Å; F79-V185 HydrophobicContact CD1-CB 4.12Å; F79-V185 HydrophobicContact CD1-CG1 3.86Å; F79-V185 HydrophobicContact CD2-CG1 3.54Å; F79-V185 HydrophobicContact CE1-CB 4.39Å; F79-V185 HydrophobicContact CE1-CG1 4.28Å; F79-V185 HydrophobicContact CE1-CG2 4.37Å; F79-V185 HydrophobicContact CE2-CG1 3.98Å; F79-V185 HydrophobicContact CG-CB 4.22Å; F79-V185 HydrophobicContact CG-CG1 3.46Å; F79-V185 VanDerWaalsContact CG-CG1 3.46Å; F79-V185 HydrophobicContact CZ-CG1 4.33Å; F79-V185 HydrophobicContact CZ-CG2 4.45Å; F79-L186 HydrophobicContact CB-CD2 3.79Å; F79-L189 HydrophobicContact CB-CD1 4.1Å; F79-A214 HydrophobicContact CD2-CB 4.44Å; F79-A214 HydrophobicContact CE2-CB 3.6Å; F79-A214 HydrophobicContact CZ-CB 3.84Å
80	H	98	Very high	95.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-71.7	155.6	-173	-65.1	-75.6	0	0	0	112.1	L76 T77 Y84 I85 K171 R172 V181 N182	L76-H80 WeakPolarHBondContact O-CB 3.39Å; L76-H80 PolarHBondContact O-CD2 2.94Å; L76-H80 PolarHBondContact O-N 3.35Å; L76-H80 VanDerWaalsContact O-N 3.16Å; T77-H80 CarbonylContact C-O 3.53Å; T77-H80 VanDerWaalsContact CA-O 3.25Å; T77-H80 WeakPolarHBondContact CA-O 3.5Å; T77-H80 VanDerWaalsContact O-O 3.1Å; H80-Y84 HydrophobicContact CB-CD1 4.16Å; H80-Y84 AromaticContact ND1-CD1 3.87Å; H80-Y84 AromaticContact ND1-CE1 3.82Å; H80-I85 HydrophobicContact CB-CD1 3.57Å; H80-I85 HydrophobicContact CB-CG1 3.7Å; H80-K171 PolarHBondContact CE1-O 3.47Å; H80-K171 PolarHBondContact ND1-O 3.06Å; H80-R172 WeakPolarHBondContact CA-O 3.43Å; H80-R172 PolarHBondContact ND1-O 3.18Å; H80-V181 WeakPolarHBondContact NE2-CA 3.19Å; H80-N182 PolarHBondContact CE1-N 3.1Å; H80-N182 PolarHBondContact NE2-N 2.61Å
81	S	95.4	Very high	95.1	Very high	29 Å²	29	32.3 Å²	32.3	20%	0.203	17%	0.165	C	C	.	.			trans	-71.2	145.5	172.2	58.3	0	0	0	0	111.6	D83 Y84 I85 R172	S81-D83 VanDerWaalsContact C-N 3.3Å; S81-D83 PolarHBondContact O-N 2.93Å; S81-Y84 PolarHBondContact O-N 3.4Å; S81-Y84 WeakPolarHBondContact OG-CB 3.35Å; S81-Y84 PolarHBondContact OG-N 2.91Å; S81-I85 PolarHBondContact O-N 3.19Å; S81-I85 VanDerWaalsContact O-N 3.11Å; S81-R172 PolarHBondContact N-O 3.12Å; S81-R172 VanDerWaalsContact N-O 3.09Å
82	D	94.7	Very high	94.4	Very high	88 Å²	88	32.5 Å²	32.5	47%	0.471	17%	0.166	S	C	.	.	H	α-helix	trans	-50.9	-50.8	174.1	-60.9	-5.9	0	0	0	110.9	F73 T77 Y84 I85 E86	F73-D82 HydrophobicContact CZ-CB 4.12Å; T77-D82 VanDerWaalsContact CB-OD1 3.24Å; T77-D82 WeakPolarHBondContact CB-OD1 3.25Å; T77-D82 HydrophobicContact CG2-CB 4.48Å; T77-D82 VanDerWaalsContact CG2-OD1 3.3Å; T77-D82 WeakPolarHBondContact CG2-OD1 3.21Å; D82-Y84 PolarHBondContact O-N 2.97Å; D82-I85 PolarHBondContact O-N 3.2Å; D82-E86 WeakPolarHBondContact O-CG 3.34Å; D82-E86 PolarHBondContact O-N 3.07Å
83	D	91.6	Very high	93.6	Very high	59 Å²	59	37.1 Å²	37.1	32%	0.316	19%	0.19	S	C	.	.	H	α-helix	trans	-58.1	-34.5	-179.9	-59.5	-41.7	0	0	0	112.9	S81 F87 I114 F120	S81-D83 VanDerWaalsContact C-N 3.3Å; S81-D83 PolarHBondContact O-N 2.93Å; D83-F87 WeakPolarHBondContact O-CB 3.46Å; D83-F87 PolarHBondContact O-N 3.05Å; D83-I114 WeakPolarHBondContact OD2-CD1 3.06Å; D83-F120 HydrophobicContact CB-CE1 4.05Å; D83-F120 HydrophobicContact CB-CZ 3.71Å
84	Y	94.1	Very high	92.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-74.1	-42.7	179.4	175.2	-116.1	0	0	0	111.6	H80 S81 D82 F87 L88 V122 W173 A175 Y180	H80-Y84 HydrophobicContact CB-CD1 4.16Å; H80-Y84 AromaticContact ND1-CD1 3.87Å; H80-Y84 AromaticContact ND1-CE1 3.82Å; S81-Y84 PolarHBondContact O-N 3.4Å; S81-Y84 WeakPolarHBondContact OG-CB 3.35Å; S81-Y84 PolarHBondContact OG-N 2.91Å; D82-Y84 PolarHBondContact O-N 2.97Å; Y84-F87 HydrophobicContact CD2-CD1 4.31Å; Y84-F87 HydrophobicContact CE2-CD1 4.41Å; Y84-F87 WeakPolarHBondContact O-CB 3.35Å; Y84-F87 PolarHBondContact O-N 3.12Å; Y84-L88 HydrophobicContact CD1-CD1 4.38Å; Y84-L88 HydrophobicContact CE1-CD1 3.72Å; Y84-L88 HydrophobicContact CE1-CG 4.31Å; Y84-L88 HydrophobicContact CE2-CD1 4.33Å; Y84-L88 HydrophobicContact CE2-CD2 4.06Å; Y84-L88 HydrophobicContact CE2-CG 4.09Å; Y84-L88 WeakPolarHBondContact O-CG 3.37Å; Y84-L88 PolarHBondContact O-N 2.98Å; Y84-V122 HydrophobicContact CD2-CB 4.25Å; Y84-V122 HydrophobicContact CD2-CG1 4.05Å; Y84-V122 HydrophobicContact CE2-CB 4.21Å; Y84-V122 HydrophobicContact CE2-CG1 4.49Å; Y84-W173 VanDerWaalsContact CD2-O 3.27Å; Y84-W173 WeakPolarHBondContact CD2-O 3.47Å; Y84-A175 WeakPolarHBondContact OH-CA 3.37Å; Y84-A175 WeakPolarHBondContact OH-CB 3.41Å; Y84-A175 PolarHBondContact OH-N 2.97Å; Y84-Y180 VanDerWaalsContact CE1-O 3.3Å; Y84-Y180 WeakPolarHBondContact CE1-O 3.42Å; Y84-Y180 WeakPolarHBondContact OH-CA 3.45Å; Y84-Y180 PolarHBondContact OH-O 3.12Å
85	I	95.5	Very high	91.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.2	-38.7	177	-59.5	-54.4	0	0	0	110.9	F73 L76 T77 H80 S81 D82 F87 L88 Q89 V181	F73-I85 HydrophobicContact CD2-CB 4.15Å; F73-I85 HydrophobicContact CD2-CG2 3.42Å; F73-I85 VanDerWaalsContact CD2-CG2 3.42Å; F73-I85 HydrophobicContact CE2-CB 3.8Å; F73-I85 HydrophobicContact CE2-CG2 3.59Å; F73-I85 HydrophobicContact CG-CG2 4.4Å; L76-I85 HydrophobicContact CB-CD1 3.97Å; L76-I85 HydrophobicContact CB-CG1 4.02Å; L76-I85 HydrophobicContact CB-CG2 4.23Å; L76-I85 HydrophobicContact CD1-CD1 4.36Å; L76-I85 HydrophobicContact CD1-CG2 4Å; T77-I85 HydrophobicContact CG2-CB 4.01Å; T77-I85 HydrophobicContact CG2-CG1 3.78Å; H80-I85 HydrophobicContact CB-CD1 3.57Å; H80-I85 HydrophobicContact CB-CG1 3.7Å; S81-I85 PolarHBondContact O-N 3.19Å; S81-I85 VanDerWaalsContact O-N 3.11Å; D82-I85 PolarHBondContact O-N 3.2Å; I85-F87 VanDerWaalsContact C-N 3.33Å; I85-F87 PolarHBondContact O-N 2.89Å; I85-L88 HydrophobicContact CD1-CD1 4.36Å; I85-L88 PolarHBondContact O-N 2.9Å; I85-Q89 WeakPolarHBondContact O-CG 3.43Å; I85-Q89 PolarHBondContact O-N 2.86Å; I85-V181 HydrophobicContact CD1-CG2 4.19Å
86	E	92.8	Very high	90.4	Very high	83 Å²	83	40.9 Å²	40.9	39%	0.388	21%	0.212	S	C	.	.	H	α-helix	trans	-60	-43.9	171.4	-74.3	-172.4	-177.3	0	0	111.3	F73 D82 L88 Q89 N90	F73-E86 HydrophobicContact CE2-CG 3.69Å; F73-E86 HydrophobicContact CZ-CG 3.87Å; D82-E86 WeakPolarHBondContact O-CG 3.34Å; D82-E86 PolarHBondContact O-N 3.07Å; E86-L88 PolarHBondContact O-N 2.85Å; E86-Q89 PolarHBondContact O-N 2.81Å; E86-N90 WeakPolarHBondContact O-CB 3.47Å; E86-N90 PolarHBondContact O-N 3.31Å; E86-N90 PolarHBondContact O-ND2 3.16Å; E86-N90 VanDerWaalsContact O-ND2 3.11Å
87	F	91.3	Very high	88.9	Confident	7 Å²	7	47.9 Å²	47.9	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-50.6	174.1	164.4	-102.3	0	0	0	111.8	D83 Y84 I85 Q89 N90 V91 A109 Y112 V122 V124	D83-F87 WeakPolarHBondContact O-CB 3.46Å; D83-F87 PolarHBondContact O-N 3.05Å; Y84-F87 HydrophobicContact CD2-CD1 4.31Å; Y84-F87 HydrophobicContact CE2-CD1 4.41Å; Y84-F87 WeakPolarHBondContact O-CB 3.35Å; Y84-F87 PolarHBondContact O-N 3.12Å; I85-F87 VanDerWaalsContact C-N 3.33Å; I85-F87 PolarHBondContact O-N 2.89Å; F87-Q89 VanDerWaalsContact C-N 3.32Å; F87-Q89 PolarHBondContact O-N 3.08Å; F87-N90 PolarHBondContact O-N 3.21Å; F87-N90 VanDerWaalsContact O-N 3.16Å; F87-V91 HydrophobicContact CD2-CG1 3.77Å; F87-V91 HydrophobicContact CE1-CG1 4.4Å; F87-V91 HydrophobicContact CE1-CG2 4.36Å; F87-V91 HydrophobicContact CE2-CG1 3.3Å; F87-V91 HydrophobicContact CZ-CG1 3.66Å; F87-V91 HydrophobicContact CZ-CG2 4.33Å; F87-V91 WeakPolarHBondContact O-CG2 3.27Å; F87-V91 PolarHBondContact O-N 2.91Å; F87-A109 HydrophobicContact CE2-CB 4.44Å; F87-A109 HydrophobicContact CZ-CB 4.02Å; F87-Y112 HydrophobicContact CB-CD2 4Å; F87-Y112 HydrophobicContact CB-CE2 3.92Å; F87-Y112 HydrophobicContact CB-CG 4.36Å; F87-Y112 AromaticContact CD2-CD2 3.21Å; F87-Y112 HydrophobicContact CD2-CD2 3.21Å; F87-Y112 AromaticContact CD2-CE2 3.64Å; F87-Y112 HydrophobicContact CD2-CE2 3.64Å; F87-Y112 HydrophobicContact CD2-CG 4Å; F87-Y112 AromaticContact CE2-CD2 3.95Å; F87-Y112 HydrophobicContact CE2-CD2 3.95Å; F87-Y112 AromaticContact CG-CD2 3.92Å; F87-Y112 HydrophobicContact CG-CD2 3.92Å; F87-Y112 HydrophobicContact CG-CE2 4.24Å; F87-Y112 HydrophobicContact CG-CG 4.38Å; F87-V122 HydrophobicContact CD1-CB 4.11Å; F87-V122 HydrophobicContact CD1-CG1 4.13Å; F87-V122 HydrophobicContact CD1-CG2 4.02Å; F87-V122 HydrophobicContact CE1-CB 3.85Å; F87-V122 HydrophobicContact CE1-CG1 4.32Å; F87-V122 HydrophobicContact CE1-CG2 3.39Å; F87-V122 HydrophobicContact CE2-CG2 4.12Å; F87-V122 HydrophobicContact CZ-CB 4.37Å; F87-V122 HydrophobicContact CZ-CG2 3.43Å; F87-V122 VanDerWaalsContact CZ-CG2 3.43Å; F87-V124 HydrophobicContact CE1-CB 3.98Å; F87-V124 HydrophobicContact CE1-CG1 4.43Å; F87-V124 HydrophobicContact CE1-CG2 3.82Å; F87-V124 HydrophobicContact CZ-CB 4.08Å; F87-V124 HydrophobicContact CZ-CG1 4.39Å; F87-V124 HydrophobicContact CZ-CG2 4.43Å
88	L	92.6	Very high	88	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-41.3	179.3	-68.1	-176.5	0	0	0	112.1	Y84 I85 E86 V91 S92 V124 L134 I135 Y180 V181	Y84-L88 HydrophobicContact CD1-CD1 4.38Å; Y84-L88 HydrophobicContact CE1-CD1 3.72Å; Y84-L88 HydrophobicContact CE1-CG 4.31Å; Y84-L88 HydrophobicContact CE2-CD1 4.33Å; Y84-L88 HydrophobicContact CE2-CD2 4.06Å; Y84-L88 HydrophobicContact CE2-CG 4.09Å; Y84-L88 WeakPolarHBondContact O-CG 3.37Å; Y84-L88 PolarHBondContact O-N 2.98Å; I85-L88 HydrophobicContact CD1-CD1 4.36Å; I85-L88 PolarHBondContact O-N 2.9Å; E86-L88 PolarHBondContact O-N 2.85Å; L88-V91 WeakPolarHBondContact O-CG2 3.44Å; L88-S92 VanDerWaalsContact O-CB 3.23Å; L88-S92 WeakPolarHBondContact O-CB 3.39Å; L88-S92 PolarHBondContact O-N 2.93Å; L88-V124 HydrophobicContact CD2-CG2 4.31Å; L88-L134 HydrophobicContact CB-CD2 4.35Å; L88-L134 HydrophobicContact CD2-CD2 4.02Å; L88-I135 HydrophobicContact CB-CD1 3.95Å; L88-Y180 HydrophobicContact CD2-CD1 4.23Å; L88-V181 HydrophobicContact CD1-CG2 4.19Å
89	Q	92.4	Very high	86.9	Confident	47 Å²	47	52.7 Å²	52.7	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-47.6	174.4	-76.4	179.1	-9.7	0	0	111.6	I85 E86 F87 S92 N93 I135	I85-Q89 WeakPolarHBondContact O-CG 3.43Å; I85-Q89 PolarHBondContact O-N 2.86Å; E86-Q89 PolarHBondContact O-N 2.81Å; F87-Q89 VanDerWaalsContact C-N 3.32Å; F87-Q89 PolarHBondContact O-N 3.08Å; Q89-S92 PolarHBondContact O-N 3.21Å; Q89-N93 WeakPolarHBondContact O-CB 3.18Å; Q89-N93 VanDerWaalsContact O-CG 3.27Å; Q89-N93 PolarHBondContact O-N 2.73Å; Q89-N93 VanDerWaalsContact O-N 3.12Å; Q89-N93 PolarHBondContact O-ND2 3.25Å; Q89-N93 VanDerWaalsContact O-ND2 3.1Å; Q89-I135 HydrophobicContact CG-CD1 4.28Å; Q89-I135 HydrophobicContact CG-CG1 3.81Å
90	N	88.8	Confident	86	Confident	88 Å²	88	58.6 Å²	58.6	47%	0.471	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-44.6	-178.1	-71.3	-30.4	0	0	0	111.9	E86 F87 N93 D94	E86-N90 WeakPolarHBondContact O-CB 3.47Å; E86-N90 PolarHBondContact O-N 3.31Å; E86-N90 PolarHBondContact O-ND2 3.16Å; E86-N90 VanDerWaalsContact O-ND2 3.11Å; F87-N90 PolarHBondContact O-N 3.21Å; F87-N90 VanDerWaalsContact O-N 3.16Å; N90-N93 PolarHBondContact O-N 3.06Å; N90-D94 WeakPolarHBondContact O-CB 3.32Å; N90-D94 PolarHBondContact O-N 2.68Å
91	V	86.5	Confident	85.1	Confident	9 Å²	9	63.3 Å²	63.3	6%	0.055	33%	0.33	C	S	.	.	H	α-helix	trans	-70	-33.2	179.2	-61.4	0	0	0	0	112.9	F87 L88 I130	F87-V91 HydrophobicContact CD2-CG1 3.77Å; F87-V91 HydrophobicContact CE1-CG1 4.4Å; F87-V91 HydrophobicContact CE1-CG2 4.36Å; F87-V91 HydrophobicContact CE2-CG1 3.3Å; F87-V91 HydrophobicContact CZ-CG1 3.66Å; F87-V91 HydrophobicContact CZ-CG2 4.33Å; F87-V91 WeakPolarHBondContact O-CG2 3.27Å; F87-V91 PolarHBondContact O-N 2.91Å; L88-V91 WeakPolarHBondContact O-CG2 3.44Å; V91-I130 HydrophobicContact CB-CD1 4.22Å; V91-I130 HydrophobicContact CB-CG2 4.38Å; V91-I130 HydrophobicContact CG1-CD1 4.47Å
92	S	85.2	Confident	84.2	Confident	3 Å²	3	65.2 Å²	65.2	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-36.5	176.6	-168.1	0	0	0	0	112.3	L88 Q89 I95 L134 I135 E136	L88-S92 VanDerWaalsContact O-CB 3.23Å; L88-S92 WeakPolarHBondContact O-CB 3.39Å; L88-S92 PolarHBondContact O-N 2.93Å; Q89-S92 PolarHBondContact O-N 3.21Å; S92-I95 WeakPolarHBondContact O-CD1 3.44Å; S92-I95 VanDerWaalsContact O-CG1 3.29Å; S92-I95 WeakPolarHBondContact O-CG1 3.46Å; S92-L134 PolarHBondContact OG-N 2.83Å; S92-L134 VanDerWaalsContact OG-N 3.07Å; S92-I135 PolarHBondContact OG-N 2.92Å; S92-E136 PolarHBondContact OG-OE2 3.08Å
93	N	81.6	Confident	83.3	Confident	118 Å²	118	66.2 Å²	66.2	63%	0.631	33%	0.333	S	S	*	.	H	α-helix	trans	-81.7	-23.4	-177.7	-71.2	-29.5	0	0	0	113.8	Q89 N90	Q89-N93 WeakPolarHBondContact O-CB 3.18Å; Q89-N93 VanDerWaalsContact O-CG 3.27Å; Q89-N93 PolarHBondContact O-N 2.73Å; Q89-N93 VanDerWaalsContact O-N 3.12Å; Q89-N93 PolarHBondContact O-ND2 3.25Å; Q89-N93 VanDerWaalsContact O-ND2 3.1Å; N90-N93 PolarHBondContact O-N 3.06Å
94	D	78.6	Confident	82.6	Confident	87 Å²	87	68 Å²	68	47%	0.465	34%	0.34	S	S	.	.			trans	-105.5	70.9	-175.4	174.9	41	0	0	0	111.3	N90 E96 K105	N90-D94 WeakPolarHBondContact O-CB 3.32Å; N90-D94 PolarHBondContact O-N 2.68Å; D94-E96 PolarHBondContact O-N 3.33Å; D94-K105 VanDerWaalsContact CG-NZ 3.25Å; D94-K105 PolarHBondContact O-NZ 2.87Å; D94-K105 IonicContact OD2-NZ 3.92Å; D94-K105 PolarHBondContact OD2-NZ 2.85Å
95	I	72	Confident	81.7	Confident	70 Å²	70	69.5 Å²	69.5	36%	0.359	35%	0.346	S	S	.	.			trans	-89	106.2	-177.1	-54.2	171.8	0	0	0	109.1	S92 V97 P132	S92-I95 WeakPolarHBondContact O-CD1 3.44Å; S92-I95 VanDerWaalsContact O-CG1 3.29Å; S92-I95 WeakPolarHBondContact O-CG1 3.46Å; I95-V97 PolarHBondContact O-N 3.45Å; I95-P132 HydrophobicContact CD1-CB 3.59Å; I95-P132 HydrophobicContact CD1-CG 3.78Å; I95-P132 HydrophobicContact CG2-CG 4.47Å
96	E	73.8	Confident	80.8	Confident	59 Å²	59	70.1 Å²	70.1	28%	0.276	35%	0.351	S	S	.	.			trans	-66	130	177.7	-79	-74.8	-165.7	0	0	111.1	D94 K101	D94-E96 PolarHBondContact O-N 3.33Å; E96-K101 HydrophobicContact CB-CB 4.02Å; E96-K101 VanDerWaalsContact CD-CD 3.48Å; E96-K101 HydrophobicContact CG-CB 4.02Å; E96-K101 HydrophobicContact CG-CD 4.42Å; E96-K101 WeakPolarHBondContact OE1-CD 3.5Å; E96-K101 IonicContact OE1-NZ 3.27Å; E96-K101 PolarHBondContact OE1-NZ 3.39Å; E96-K101 WeakPolarHBondContact OE2-CD 3.47Å; E96-K101 IonicContact OE2-NZ 3.44Å; E96-K101 PolarHBondContact OE2-NZ 3.01Å
97	V	66.8	Low	79.9	Confident	147 Å²	147	73.3 Å²	73.3	89%	0.891	37%	0.365	S	S	*	.	S	Bend	trans	-80	-26	-174.9	-172.2	0	0	0	0	111.7	I95	I95-V97 PolarHBondContact O-N 3.45Å
98	S	79.1	Confident	78.9	Confident	55 Å²	55	79.2 Å²	79.2	39%	0.385	40%	0.396	S	S	.	.	S	Bend	trans	-90.4	134.5	178.9	77.7	0	0	0	0	111.7	E100 K101 Y102	S98-E100 PolarHBondContact O-N 3.43Å; S98-K101 PolarHBondContact O-N 3.01Å; S98-K101 WeakPolarHBondContact OG-CB 3.49Å; S98-K101 VanDerWaalsContact OG-CG 3.28Å; S98-K101 WeakPolarHBondContact OG-CG 3.44Å; S98-K101 PolarHBondContact OG-N 2.78Å; S98-Y102 WeakPolarHBondContact O-CB 3.4Å; S98-Y102 PolarHBondContact O-N 3.49Å
99	E	76	Confident	78	Confident	136 Å²	136	79.4 Å²	79.4	64%	0.636	40%	0.398	S	S	*	.	H	α-helix	trans	-58.2	-37.3	-178.7	-166.1	-173	156.7	0	0	112.3	Y102 K103	E99-Y102 PolarHBondContact O-N 3.33Å; E99-K103 WeakPolarHBondContact O-CG 3.31Å; E99-K103 PolarHBondContact O-N 2.93Å; E99-K103 VanDerWaalsContact OE1-CE 3.3Å; E99-K103 WeakPolarHBondContact OE1-CE 3.2Å; E99-K103 IonicContact OE1-NZ 2.72Å; E99-K103 PolarHBondContact OE1-NZ 3.06Å
100	E	80.1	Confident	77.1	Confident	144 Å²	144	81.5 Å²	81.5	67%	0.673	41%	0.407	S	S	*	.	H	α-helix	trans	-66.3	-44.5	179.4	-174.2	166.5	-167.3	0	0	112.2	S98 K103 Q104	S98-E100 PolarHBondContact O-N 3.43Å; E100-K103 PolarHBondContact O-N 3.02Å; E100-Q104 WeakPolarHBondContact O-CG 3.23Å; E100-Q104 PolarHBondContact O-N 3.34Å
101	K	77.7	Confident	76.2	Confident	101 Å²	101	81.5 Å²	81.5	44%	0.439	41%	0.406	S	S	.	.	H	α-helix	trans	-70.9	-37	176.6	-73.2	-175.4	168.8	-163.7	0	112.2	E96 S98 K103 Q104 K105	E96-K101 HydrophobicContact CB-CB 4.02Å; E96-K101 VanDerWaalsContact CD-CD 3.48Å; E96-K101 HydrophobicContact CG-CB 4.02Å; E96-K101 HydrophobicContact CG-CD 4.42Å; E96-K101 WeakPolarHBondContact OE1-CD 3.5Å; E96-K101 IonicContact OE1-NZ 3.27Å; E96-K101 PolarHBondContact OE1-NZ 3.39Å; E96-K101 WeakPolarHBondContact OE2-CD 3.47Å; E96-K101 IonicContact OE2-NZ 3.44Å; E96-K101 PolarHBondContact OE2-NZ 3.01Å; S98-K101 PolarHBondContact O-N 3.01Å; S98-K101 WeakPolarHBondContact OG-CB 3.49Å; S98-K101 VanDerWaalsContact OG-CG 3.28Å; S98-K101 WeakPolarHBondContact OG-CG 3.44Å; S98-K101 PolarHBondContact OG-N 2.78Å; K101-K103 VanDerWaalsContact C-N 3.32Å; K101-K103 PolarHBondContact O-N 3.43Å; K101-Q104 PolarHBondContact O-N 3.3Å; K101-K105 WeakPolarHBondContact O-CB 3.45Å; K101-K105 PolarHBondContact O-N 3.02Å
102	Y	76.7	Confident	75.3	Confident	68 Å²	68	83.5 Å²	83.5	27%	0.267	41%	0.413	S	S	.	.	H	α-helix	trans	-59.4	-44.2	173.9	175.1	-92.1	0	0	0	111.1	S98 E99 K105 C106 I130	S98-Y102 WeakPolarHBondContact O-CB 3.4Å; S98-Y102 PolarHBondContact O-N 3.49Å; E99-Y102 PolarHBondContact O-N 3.33Å; Y102-K105 PolarHBondContact O-N 2.88Å; Y102-C106 WeakPolarHBondContact CE1-SG 3.45Å; Y102-C106 PolarHBondContact O-N 2.65Å; Y102-C106 PolarHBondContact O-SG 3.33Å; Y102-I130 HydrophobicContact CE2-CB 4.17Å; Y102-I130 WeakPolarHBondContact CE2-O 3.3Å; Y102-I130 PolarHBondContact OH-O 3.18Å
103	K	76.3	Confident	74.4	Confident	110 Å²	110	85.7 Å²	85.7	48%	0.478	43%	0.428	S	S	.	.	H	α-helix	trans	-61.4	-45.2	174.2	-77.1	176.4	-174.8	165.5	0	112.2	E99 E100 K101 K105 C106 Q107	E99-K103 WeakPolarHBondContact O-CG 3.31Å; E99-K103 PolarHBondContact O-N 2.93Å; E99-K103 VanDerWaalsContact OE1-CE 3.3Å; E99-K103 WeakPolarHBondContact OE1-CE 3.2Å; E99-K103 IonicContact OE1-NZ 2.72Å; E99-K103 PolarHBondContact OE1-NZ 3.06Å; E100-K103 PolarHBondContact O-N 3.02Å; K101-K103 VanDerWaalsContact C-N 3.32Å; K101-K103 PolarHBondContact O-N 3.43Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 3.27Å; K103-C106 PolarHBondContact O-N 3.43Å; K103-Q107 WeakPolarHBondContact O-CG 3.33Å; K103-Q107 PolarHBondContact O-N 3.15Å
104	Q	76.1	Confident	73.6	Confident	96 Å²	96	83.8 Å²	83.8	45%	0.449	42%	0.418	S	S	.	.	H	α-helix	trans	-60.5	-42.6	175.2	-72.2	172.3	9.8	0	0	111.4	E100 K101 Q107 L108	E100-Q104 WeakPolarHBondContact O-CG 3.23Å; E100-Q104 PolarHBondContact O-N 3.34Å; K101-Q104 PolarHBondContact O-N 3.3Å; Q104-Q107 PolarHBondContact O-N 2.97Å; Q104-L108 WeakPolarHBondContact O-CB 3.34Å; Q104-L108 VanDerWaalsContact O-CG 3.28Å; Q104-L108 WeakPolarHBondContact O-CG 3.37Å; Q104-L108 PolarHBondContact O-N 3.42Å
105	K	76.5	Confident	73.2	Confident	31 Å²	31	82.9 Å²	82.9	14%	0.135	41%	0.413	C	S	.	.	H	α-helix	trans	-62.6	-44.4	176.8	-174.8	170	-178	164.8	0	111.8	D94 K101 Y102 K103 Q107 L108 A109 I130	D94-K105 VanDerWaalsContact CG-NZ 3.25Å; D94-K105 PolarHBondContact O-NZ 2.87Å; D94-K105 IonicContact OD2-NZ 3.92Å; D94-K105 PolarHBondContact OD2-NZ 2.85Å; K101-K105 WeakPolarHBondContact O-CB 3.45Å; K101-K105 PolarHBondContact O-N 3.02Å; Y102-K105 PolarHBondContact O-N 2.88Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 3.27Å; K105-Q107 VanDerWaalsContact C-N 3.33Å; K105-Q107 PolarHBondContact O-N 3.15Å; K105-L108 PolarHBondContact O-N 3.23Å; K105-A109 WeakPolarHBondContact O-CB 3.21Å; K105-A109 PolarHBondContact O-N 2.78Å; K105-I130 HydrophobicContact CD-CD1 4.37Å; K105-I130 HydrophobicContact CG-CD1 4.01Å
106	C	75.6	Confident	73	Confident	14 Å²	14	86.9 Å²	86.9	10%	0.095	44%	0.435	C	S	.	.	H	α-helix	trans	-62.1	-39.7	175.5	-66.8	0	0	0	0	112.1	Y102 K103 L108 A109	Y102-C106 WeakPolarHBondContact CE1-SG 3.45Å; Y102-C106 PolarHBondContact O-N 2.65Å; Y102-C106 PolarHBondContact O-SG 3.33Å; K103-C106 PolarHBondContact O-N 3.43Å; C106-L108 VanDerWaalsContact C-N 3.35Å; C106-A109 PolarHBondContact O-N 3.31Å
107	Q	73.3	Confident	72.8	Confident	150 Å²	150	91.2 Å²	91.2	70%	0.701	46%	0.46	S	S	*	.	H	α-helix	trans	-65.5	-38.2	175.9	-73.9	174.6	-10.5	0	0	112.5	K103 Q104 K105	K103-Q107 WeakPolarHBondContact O-CG 3.33Å; K103-Q107 PolarHBondContact O-N 3.15Å; Q104-Q107 PolarHBondContact O-N 2.97Å; K105-Q107 VanDerWaalsContact C-N 3.33Å; K105-Q107 PolarHBondContact O-N 3.15Å
108	L	71.9	Confident	72.8	Confident	130 Å²	130	89.3 Å²	89.3	68%	0.681	44%	0.441	S	S	*	.	H	α-helix	trans	-77.6	-31.1	178.5	-68.2	172.9	0	0	0	112.3	Q104 K105 C106 F110 L111	Q104-L108 WeakPolarHBondContact O-CB 3.34Å; Q104-L108 VanDerWaalsContact O-CG 3.28Å; Q104-L108 WeakPolarHBondContact O-CG 3.37Å; Q104-L108 PolarHBondContact O-N 3.42Å; K105-L108 PolarHBondContact O-N 3.23Å; C106-L108 VanDerWaalsContact C-N 3.35Å; L108-F110 PolarHBondContact O-N 3Å; L108-L111 PolarHBondContact O-N 2.76Å; L108-L111 VanDerWaalsContact O-N 3.08Å
109	A	72.9	Confident	72.4	Confident	5 Å²	5	92.7 Å²	92.7	4%	0.041	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-3.4	178.5	0	0	0	0	0	113.6	F87 K105 C106 V122 V124 I130	F87-A109 HydrophobicContact CE2-CB 4.44Å; F87-A109 HydrophobicContact CZ-CB 4.02Å; K105-A109 WeakPolarHBondContact O-CB 3.21Å; K105-A109 PolarHBondContact O-N 2.78Å; C106-A109 PolarHBondContact O-N 3.31Å; A109-V122 WeakPolarHBondContact O-CG2 3.45Å; A109-V124 CarbonylContact C-O 3.46Å; A109-V124 HydrophobicContact CB-CB 4.41Å; A109-V124 HydrophobicContact CB-CG1 4.33Å; A109-V124 VanDerWaalsContact CB-O 3.28Å; A109-V124 WeakPolarHBondContact CB-O 3.33Å; A109-V124 VanDerWaalsContact O-O 3.05Å; A109-I130 HydrophobicContact CB-CD1 3.83Å
110	F	73.2	Confident	72.3	Confident	91 Å²	91	88.1 Å²	88.1	40%	0.399	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-34.6	168.9	-173.8	-104.2	0	0	0	112.1	L108 V121 V122 N123 V124	L108-F110 PolarHBondContact O-N 3Å; F110-V121 HydrophobicContact CD2-CG1 4.48Å; F110-V121 HydrophobicContact CE1-CG1 4.11Å; F110-V121 HydrophobicContact CE1-CG2 4.26Å; F110-V121 HydrophobicContact CE2-CG1 3.94Å; F110-V121 HydrophobicContact CZ-CG1 3.72Å; F110-V121 WeakPolarHBondContact O-CA 3.43Å; F110-V122 PolarHBondContact O-N 3.09Å; F110-V122 VanDerWaalsContact O-N 3.09Å; F110-N123 HydrophobicContact CE2-CB 4.48Å; F110-V124 PolarHBondContact N-O 3.32Å
111	L	69.7	Low	72.3	Confident	88 Å²	88	83.7 Å²	83.7	46%	0.461	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.3	-178.4	-75	163.7	0	0	0	110.5	L108 F119 F120 V121	L108-L111 PolarHBondContact O-N 2.76Å; L108-L111 VanDerWaalsContact O-N 3.08Å; L111-F119 HydrophobicContact CD2-CB 4.36Å; L111-F120 WeakPolarHBondContact CA-O 3.47Å; L111-V121 HydrophobicContact CD2-CG2 3.83Å
112	Y	67.8	Low	72.7	Confident	51 Å²	51	78.9 Å²	78.9	20%	0.2	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.4	173.8	-173.7	-99.3	0	0	0	111.1	F87 I114 F119 F120	F87-Y112 HydrophobicContact CB-CD2 4Å; F87-Y112 HydrophobicContact CB-CE2 3.92Å; F87-Y112 HydrophobicContact CB-CG 4.36Å; F87-Y112 AromaticContact CD2-CD2 3.21Å; F87-Y112 HydrophobicContact CD2-CD2 3.21Å; F87-Y112 AromaticContact CD2-CE2 3.64Å; F87-Y112 HydrophobicContact CD2-CE2 3.64Å; F87-Y112 HydrophobicContact CD2-CG 4Å; F87-Y112 AromaticContact CE2-CD2 3.95Å; F87-Y112 HydrophobicContact CE2-CD2 3.95Å; F87-Y112 AromaticContact CG-CD2 3.92Å; F87-Y112 HydrophobicContact CG-CD2 3.92Å; F87-Y112 HydrophobicContact CG-CE2 4.24Å; F87-Y112 HydrophobicContact CG-CG 4.38Å; Y112-I114 HydrophobicContact CD1-CG1 4.47Å; Y112-I114 HydrophobicContact CE1-CG1 4.38Å; Y112-F119 CarbonylContact O-C 3.03Å; Y112-F119 VanDerWaalsContact O-CA 3.22Å; Y112-F119 WeakPolarHBondContact O-CA 3.42Å; Y112-F120 HydrophobicContact CD1-CD1 4.31Å; Y112-F120 AromaticContact CD1-CE1 3.39Å; Y112-F120 HydrophobicContact CD1-CE1 3.39Å; Y112-F120 AromaticContact CD1-CE2 3.84Å; Y112-F120 HydrophobicContact CD1-CE2 3.84Å; Y112-F120 AromaticContact CD1-CZ 3.09Å; Y112-F120 HydrophobicContact CD1-CZ 3.09Å; Y112-F120 HydrophobicContact CE1-CE1 4.08Å; Y112-F120 AromaticContact CE1-CZ 3.78Å; Y112-F120 HydrophobicContact CE1-CZ 3.78Å; Y112-F120 HydrophobicContact CG-CE1 4.35Å; Y112-F120 HydrophobicContact CG-CE2 4.17Å; Y112-F120 AromaticContact CG-CZ 3.86Å; Y112-F120 HydrophobicContact CG-CZ 3.86Å; Y112-F120 PolarHBondContact N-O 3.37Å; Y112-F120 PolarHBondContact O-N 3.46Å
113	S	67.3	Low	73.3	Confident	48 Å²	48	78.1 Å²	78.1	34%	0.336	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.3	178.4	177.5	0	0	0	0	110.3	N115 Q118 F119	S113-N115 PolarHBondContact OG-O 2.63Å; S113-Q118 WeakPolarHBondContact CA-O 3.36Å; S113-F119 VanDerWaalsContact CB-CE1 3.49Å
114	I	64.2	Low	73.8	Confident	79 Å²	79	72.9 Å²	72.9	41%	0.405	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-36.2	171	-52.2	175	0	0	0	109.8	D83 Y112 Q118 F120	D83-I114 WeakPolarHBondContact OD2-CD1 3.06Å; Y112-I114 HydrophobicContact CD1-CG1 4.47Å; Y112-I114 HydrophobicContact CE1-CG1 4.38Å; I114-Q118 PolarHBondContact N-O 2.72Å; I114-F120 HydrophobicContact CD1-CD1 4.05Å; I114-F120 HydrophobicContact CD1-CE1 3.62Å; I114-F120 HydrophobicContact CG1-CD1 4.03Å; I114-F120 HydrophobicContact CG1-CE1 3.42Å; I114-F120 VanDerWaalsContact CG1-CE1 3.42Å; I114-F120 HydrophobicContact CG1-CZ 4.48Å
115	N	69.3	Low	74.2	Confident	68 Å²	68	69 Å²	69	36%	0.364	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	171.4	178.3	55.6	59.4	0	0	0	109.3	S113 D117 Q118	S113-N115 PolarHBondContact OG-O 2.63Å; N115-D117 PolarHBondContact O-N 2.92Å; N115-D117 PolarHBondContact OD1-N 3.01Å; N115-Q118 PolarHBondContact ND2-OE1 3.35Å; N115-Q118 VanDerWaalsContact ND2-OE1 3.15Å; N115-Q118 PolarHBondContact O-N 3.02Å; N115-Q118 VanDerWaalsContact O-N 3.14Å; N115-Q118 WeakPolarHBondContact OD1-CB 3.11Å; N115-Q118 PolarHBondContact OD1-N 2.71Å
116	D	69.5	Low	74.6	Confident	153 Å²	153	75.5 Å²	75.5	82%	0.818	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-21.4	-174.4	-68.5	-28.5	0	0	0	114.6
117	D	68.8	Low	75.3	Confident	150 Å²	150	80 Å²	80	80%	0.802	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-7.2	-174	-65	-35.5	0	0	0	114.5	N115	N115-D117 PolarHBondContact O-N 2.92Å; N115-D117 PolarHBondContact OD1-N 3.01Å
118	Q	66.4	Low	76.4	Confident	107 Å²	107	72.9 Å²	72.9	50%	0.5	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117	-175.1	-69.3	-177.6	-21.8	0	0	111.8	S113 I114 N115	S113-Q118 WeakPolarHBondContact CA-O 3.36Å; I114-Q118 PolarHBondContact N-O 2.72Å; N115-Q118 PolarHBondContact ND2-OE1 3.35Å; N115-Q118 VanDerWaalsContact ND2-OE1 3.15Å; N115-Q118 PolarHBondContact O-N 3.02Å; N115-Q118 VanDerWaalsContact O-N 3.14Å; N115-Q118 WeakPolarHBondContact OD1-CB 3.11Å; N115-Q118 PolarHBondContact OD1-N 2.71Å
119	F	70	Confident	77.4	Confident	126 Å²	126	67.2 Å²	67.2	55%	0.553	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.3	175.9	-59.2	-96.5	0	0	0	109.7	L111 Y112 S113	L111-F119 HydrophobicContact CD2-CB 4.36Å; Y112-F119 CarbonylContact O-C 3.03Å; Y112-F119 VanDerWaalsContact O-CA 3.22Å; Y112-F119 WeakPolarHBondContact O-CA 3.42Å; S113-F119 VanDerWaalsContact CB-CE1 3.49Å
120	F	75.9	Confident	78.2	Confident	40 Å²	40	67.1 Å²	67.1	18%	0.175	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.9	168.6	56.1	-95.8	0	0	0	110.9	D83 L111 Y112 I114 V122	D83-F120 HydrophobicContact CB-CE1 4.05Å; D83-F120 HydrophobicContact CB-CZ 3.71Å; L111-F120 WeakPolarHBondContact CA-O 3.47Å; Y112-F120 HydrophobicContact CD1-CD1 4.31Å; Y112-F120 AromaticContact CD1-CE1 3.39Å; Y112-F120 HydrophobicContact CD1-CE1 3.39Å; Y112-F120 AromaticContact CD1-CE2 3.84Å; Y112-F120 HydrophobicContact CD1-CE2 3.84Å; Y112-F120 AromaticContact CD1-CZ 3.09Å; Y112-F120 HydrophobicContact CD1-CZ 3.09Å; Y112-F120 HydrophobicContact CE1-CE1 4.08Å; Y112-F120 AromaticContact CE1-CZ 3.78Å; Y112-F120 HydrophobicContact CE1-CZ 3.78Å; Y112-F120 HydrophobicContact CG-CE1 4.35Å; Y112-F120 HydrophobicContact CG-CE2 4.17Å; Y112-F120 AromaticContact CG-CZ 3.86Å; Y112-F120 HydrophobicContact CG-CZ 3.86Å; Y112-F120 PolarHBondContact N-O 3.37Å; Y112-F120 PolarHBondContact O-N 3.46Å; I114-F120 HydrophobicContact CD1-CD1 4.05Å; I114-F120 HydrophobicContact CD1-CE1 3.62Å; I114-F120 HydrophobicContact CG1-CD1 4.03Å; I114-F120 HydrophobicContact CG1-CE1 3.42Å; I114-F120 VanDerWaalsContact CG1-CE1 3.42Å; I114-F120 HydrophobicContact CG1-CZ 4.48Å; F120-V122 HydrophobicContact CD2-CG1 3.33Å; F120-V122 HydrophobicContact CE2-CG1 3.17Å; F120-V122 HydrophobicContact CZ-CG1 4.37Å; F120-V122 PolarHBondContact O-N 3.13Å
121	V	79.7	Confident	79.1	Confident	51 Å²	51	63 Å²	63	31%	0.309	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	121.8	175.5	179.1	0	0	0	0	107.1	F110 L111 N123	F110-V121 HydrophobicContact CD2-CG1 4.48Å; F110-V121 HydrophobicContact CE1-CG1 4.11Å; F110-V121 HydrophobicContact CE1-CG2 4.26Å; F110-V121 HydrophobicContact CE2-CG1 3.94Å; F110-V121 HydrophobicContact CZ-CG1 3.72Å; F110-V121 WeakPolarHBondContact O-CA 3.43Å; L111-V121 HydrophobicContact CD2-CG2 3.83Å; V121-N123 HydrophobicContact CG1-CB 4.11Å
122	V	85.7	Confident	80.1	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.329	C	S	.	.			trans	-106.3	-12.3	172.5	-61.7	0	0	0	0	112.1	Y84 F87 A109 F110 F120 V124 E174 A175	Y84-V122 HydrophobicContact CD2-CB 4.25Å; Y84-V122 HydrophobicContact CD2-CG1 4.05Å; Y84-V122 HydrophobicContact CE2-CB 4.21Å; Y84-V122 HydrophobicContact CE2-CG1 4.49Å; F87-V122 HydrophobicContact CD1-CB 4.11Å; F87-V122 HydrophobicContact CD1-CG1 4.13Å; F87-V122 HydrophobicContact CD1-CG2 4.02Å; F87-V122 HydrophobicContact CE1-CB 3.85Å; F87-V122 HydrophobicContact CE1-CG1 4.32Å; F87-V122 HydrophobicContact CE1-CG2 3.39Å; F87-V122 HydrophobicContact CE2-CG2 4.12Å; F87-V122 HydrophobicContact CZ-CB 4.37Å; F87-V122 HydrophobicContact CZ-CG2 3.43Å; F87-V122 VanDerWaalsContact CZ-CG2 3.43Å; A109-V122 WeakPolarHBondContact O-CG2 3.45Å; F110-V122 PolarHBondContact O-N 3.09Å; F110-V122 VanDerWaalsContact O-N 3.09Å; F120-V122 HydrophobicContact CD2-CG1 3.33Å; F120-V122 HydrophobicContact CE2-CG1 3.17Å; F120-V122 HydrophobicContact CZ-CG1 4.37Å; F120-V122 PolarHBondContact O-N 3.13Å; V122-V124 VanDerWaalsContact C-N 3.34Å; V122-V124 HydrophobicContact CG2-CB 4.46Å; V122-V124 PolarHBondContact O-N 3.38Å; V122-E174 WeakPolarHBondContact O-CA 3.32Å; V122-A175 PolarHBondContact O-N 3.25Å
123	N	89.3	Confident	81.3	Confident	52 Å²	52	61.2 Å²	61.2	28%	0.278	33%	0.328	S	S	.	.			trans	56	42.4	173.3	-167.7	40	0	0	0	113.9	F110 V121 C128 E174 A175	F110-N123 HydrophobicContact CE2-CB 4.48Å; V121-N123 HydrophobicContact CG1-CB 4.11Å; N123-C128 WeakPolarHBondContact O-CB 3.43Å; N123-E174 HydrophobicContact CB-CB 4.42Å; N123-A175 VanDerWaalsContact CB-O 3.3Å; N123-A175 WeakPolarHBondContact CB-O 3.5Å; N123-A175 PolarHBondContact ND2-O 3.36Å
124	V	87.2	Confident	82.6	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	31%	0.312	C	S	.	.			trans	-110.7	134.5	174.9	172.8	0	0	0	0	109.5	F87 L88 A109 F110 V122 C128 I130 A175 Y180	F87-V124 HydrophobicContact CE1-CB 3.98Å; F87-V124 HydrophobicContact CE1-CG1 4.43Å; F87-V124 HydrophobicContact CE1-CG2 3.82Å; F87-V124 HydrophobicContact CZ-CB 4.08Å; F87-V124 HydrophobicContact CZ-CG1 4.39Å; F87-V124 HydrophobicContact CZ-CG2 4.43Å; L88-V124 HydrophobicContact CD2-CG2 4.31Å; A109-V124 CarbonylContact C-O 3.46Å; A109-V124 HydrophobicContact CB-CB 4.41Å; A109-V124 HydrophobicContact CB-CG1 4.33Å; A109-V124 VanDerWaalsContact CB-O 3.28Å; A109-V124 WeakPolarHBondContact CB-O 3.33Å; A109-V124 VanDerWaalsContact O-O 3.05Å; F110-V124 PolarHBondContact N-O 3.32Å; V122-V124 VanDerWaalsContact C-N 3.34Å; V122-V124 HydrophobicContact CG2-CB 4.46Å; V122-V124 PolarHBondContact O-N 3.38Å; V124-C128 CarbonylContact C-O 3.54Å; V124-C128 WeakPolarHBondContact CA-O 3.42Å; V124-C128 WeakPolarHBondContact CG1-O 3.32Å; V124-I130 HydrophobicContact CG1-CD1 4.23Å; V124-I130 HydrophobicContact CG1-CG1 3.52Å; V124-A175 HydrophobicContact CG2-CB 3.72Å; V124-Y180 HydrophobicContact CG2-CD1 4.16Å; V124-Y180 HydrophobicContact CG2-CE1 4.24Å
125	G	83.1	Confident	84.1	Confident	14 Å²	14	55.4 Å²	55.4	14%	0.144	29%	0.294	C	S	.	.	S	Bend	trans	135.8	-33.6	173.2	0	0	0	0	0	115.4	C128	G125-C128 PolarHBondContact N-O 3.31Å
126	E	86.1	Confident	85.4	Confident	167 Å²	167	55.3 Å²	55.3	78%	0.78	29%	0.292	S	S	*	.	S	Bend	trans	-96.4	-103.3	177.7	-64	-170.5	171.8	0	0	110.7	C128	E126-C128 PolarHBondContact O-N 3.33Å
127	D	91	Very high	86.8	Confident	108 Å²	108	48.1 Å²	48.1	58%	0.578	25%	0.253	S	S	*	.	S	Bend	trans	-62.5	-28	178	-73.1	-8.3	0	0	0	111.8	H40 P129 F178	H40-D127 PolarHBondContact NE2-O 3.12Å; D127-P129 VanDerWaalsContact C-CD 3.41Å; D127-P129 WeakPolarHBondContact O-CD 3.49Å; D127-F178 HydrophobicContact CB-CE1 4.12Å; D127-F178 WeakPolarHBondContact O-CD1 3.49Å
128	C	94.7	Very high	88.2	Confident	2 Å²	2	41 Å²	41	1%	0.014	22%	0.215	C	C	.	.	S	Bend	trans	-104.8	77.5	172.7	-64.6	0	0	0	0	109.7	N123 V124 G125 E126 A175 F178 Y180	N123-C128 WeakPolarHBondContact O-CB 3.43Å; V124-C128 CarbonylContact C-O 3.54Å; V124-C128 WeakPolarHBondContact CA-O 3.42Å; V124-C128 WeakPolarHBondContact CG1-O 3.32Å; G125-C128 PolarHBondContact N-O 3.31Å; E126-C128 PolarHBondContact O-N 3.33Å; C128-A175 HydrophobicContact CB-CB 3.92Å; C128-F178 PolarHBondContact SG-N 2.77Å; C128-F178 VanDerWaalsContact SG-N 3.38Å; C128-Y180 HydrophobicContact CB-CD1 4.43Å; C128-Y180 HydrophobicContact CB-CE1 3.69Å
129	P	92.6	Very high	89.7	Confident	10 Å²	10	38.8 Å²	38.8	7%	0.065	20%	0.202	C	C	.	.			trans	-68	161.9	-173	28.9	-37.4	0	0	0	112.9	Y36 D127 L134 Y180	Y36-P129 HydrophobicContact CD1-CG 3.98Å; Y36-P129 HydrophobicContact CG-CG 4.47Å; Y36-P129 WeakPolarHBondContact O-CB 3.41Å; Y36-P129 WeakPolarHBondContact O-CG 3.3Å; D127-P129 VanDerWaalsContact C-CD 3.41Å; D127-P129 WeakPolarHBondContact O-CD 3.49Å; P129-L134 WeakPolarHBondContact O-CD1 3.39Å; P129-Y180 WeakPolarHBondContact CD-OH 3.44Å; P129-Y180 PolarHBondContact O-OH 2.82Å
130	I	91.1	Very high	91.1	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	18%	0.177	C	C	.	.			trans	-87.9	128.8	168.9	-58	169.5	0	0	0	107.9	V91 Y102 K105 A109 V124	V91-I130 HydrophobicContact CB-CD1 4.22Å; V91-I130 HydrophobicContact CB-CG2 4.38Å; V91-I130 HydrophobicContact CG1-CD1 4.47Å; Y102-I130 HydrophobicContact CE2-CB 4.17Å; Y102-I130 WeakPolarHBondContact CE2-O 3.3Å; Y102-I130 PolarHBondContact OH-O 3.18Å; K105-I130 HydrophobicContact CD-CD1 4.37Å; K105-I130 HydrophobicContact CG-CD1 4.01Å; A109-I130 HydrophobicContact CB-CD1 3.83Å; V124-I130 HydrophobicContact CG1-CD1 4.23Å; V124-I130 HydrophobicContact CG1-CG1 3.52Å
131	F	91.2	Very high	92.1	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.013	17%	0.169	C	C	.	.			trans	-140.1	159.4	178.7	58.8	-94.4	0	0	0	112.5	Y34 H35 Y36 G133 L134 F137 Y180	Y34-F131 HydrophobicContact CD1-CE2 4.43Å; H35-F131 VanDerWaalsContact O-CB 3.31Å; H35-F131 WeakPolarHBondContact O-CB 3.42Å; Y36-F131 HydrophobicContact CD1-CD1 4.48Å; Y36-F131 HydrophobicContact CD1-CE1 4.06Å; Y36-F131 HydrophobicContact CD2-CD1 4.25Å; Y36-F131 AromaticContact CD2-CE1 3.71Å; Y36-F131 HydrophobicContact CD2-CE1 3.71Å; Y36-F131 AromaticContact CD2-CZ 3.88Å; Y36-F131 HydrophobicContact CD2-CZ 3.88Å; Y36-F131 HydrophobicContact CE1-CE1 4.07Å; Y36-F131 AromaticContact CE2-CE1 3.7Å; Y36-F131 HydrophobicContact CE2-CE1 3.7Å; Y36-F131 AromaticContact CE2-CZ 3.64Å; Y36-F131 HydrophobicContact CE2-CZ 3.64Å; Y36-F131 HydrophobicContact CG-CD1 4.16Å; Y36-F131 AromaticContact CG-CE1 3.9Å; Y36-F131 HydrophobicContact CG-CE1 3.9Å; Y36-F131 AromaticContact CZ-CE1 3.9Å; F131-G133 PolarHBondContact O-N 3.18Å; F131-L134 HydrophobicContact CD1-CB 4.42Å; F131-L134 HydrophobicContact CD1-CD1 4.05Å; F131-L134 HydrophobicContact CD2-CB 4.18Å; F131-L134 HydrophobicContact CE1-CB 4.27Å; F131-L134 HydrophobicContact CE1-CD1 3.91Å; F131-L134 HydrophobicContact CE1-CG 4.07Å; F131-L134 HydrophobicContact CE2-CB 4.01Å; F131-L134 HydrophobicContact CG-CB 4.38Å; F131-L134 HydrophobicContact CZ-CB 4.06Å; F131-L134 HydrophobicContact CZ-CD1 4.43Å; F131-L134 HydrophobicContact CZ-CG 4.08Å; F131-L134 WeakPolarHBondContact O-CB 3.47Å; F131-L134 PolarHBondContact O-N 3.43Å; F131-L134 VanDerWaalsContact O-N 3.12Å; F131-F137 HydrophobicContact CE2-CB 4.18Å; F131-F137 HydrophobicContact CZ-CB 4.36Å; F131-F137 HydrophobicContact CZ-CD1 4.1Å; F131-F137 HydrophobicContact CZ-CG 4.34Å; F131-Y180 AromaticContact CE1-CE2 3.94Å; F131-Y180 HydrophobicContact CE1-CE2 3.94Å; F131-Y180 HydrophobicContact CZ-CE2 4.49Å
132	P	90.2	Very high	93	Very high	85 Å²	85	28.9 Å²	28.9	55%	0.552	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	121.9	175.8	-20.9	29.3	0	0	0	113.9	I95	I95-P132 HydrophobicContact CD1-CB 3.59Å; I95-P132 HydrophobicContact CD1-CG 3.78Å; I95-P132 HydrophobicContact CG2-CG 4.47Å
133	G	93.6	Very high	93.7	Very high	17 Å²	17	28.9 Å²	28.9	18%	0.175	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	21.7	180	0	0	0	0	0	114.3	Y34 F131 I135 E136 F137	Y34-G133 WeakPolarHBondContact CD1-O 3.45Å; Y34-G133 WeakPolarHBondContact CE1-O 3.27Å; F131-G133 PolarHBondContact O-N 3.18Å; G133-I135 PolarHBondContact O-N 3.29Å; G133-E136 WeakPolarHBondContact CA-OE2 3.26Å; G133-E136 PolarHBondContact O-N 3.13Å; G133-F137 WeakPolarHBondContact O-CB 3.38Å; G133-F137 PolarHBondContact O-N 3.36Å
134	L	95	Very high	94.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-55.1	-48.9	-177.5	178.1	151.8	0	0	0	112.3	L88 S92 P129 F131 F137 C138 Y180	L88-L134 HydrophobicContact CB-CD2 4.35Å; L88-L134 HydrophobicContact CD2-CD2 4.02Å; S92-L134 PolarHBondContact OG-N 2.83Å; S92-L134 VanDerWaalsContact OG-N 3.07Å; P129-L134 WeakPolarHBondContact O-CD1 3.39Å; F131-L134 HydrophobicContact CD1-CB 4.42Å; F131-L134 HydrophobicContact CD1-CD1 4.05Å; F131-L134 HydrophobicContact CD2-CB 4.18Å; F131-L134 HydrophobicContact CE1-CB 4.27Å; F131-L134 HydrophobicContact CE1-CD1 3.91Å; F131-L134 HydrophobicContact CE1-CG 4.07Å; F131-L134 HydrophobicContact CE2-CB 4.01Å; F131-L134 HydrophobicContact CG-CB 4.38Å; F131-L134 HydrophobicContact CZ-CB 4.06Å; F131-L134 HydrophobicContact CZ-CD1 4.43Å; F131-L134 HydrophobicContact CZ-CG 4.08Å; F131-L134 WeakPolarHBondContact O-CB 3.47Å; F131-L134 PolarHBondContact O-N 3.43Å; F131-L134 VanDerWaalsContact O-N 3.12Å; L134-F137 WeakPolarHBondContact O-CB 3.39Å; L134-F137 PolarHBondContact O-N 2.91Å; L134-C138 PolarHBondContact O-N 2.85Å; L134-C138 VanDerWaalsContact O-N 3.12Å; L134-C138 PolarHBondContact O-SG 3.42Å; L134-Y180 HydrophobicContact CD1-CD1 4.08Å; L134-Y180 HydrophobicContact CD1-CE1 3.61Å; L134-Y180 HydrophobicContact CD1-CE2 4.38Å; L134-Y180 HydrophobicContact CD2-CD1 4.37Å; L134-Y180 HydrophobicContact CG-CE1 4.43Å
135	I	96	Very high	94.7	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-69.6	-37.5	-179.2	-169.1	62.6	0	0	0	110.8	L76 L88 Q89 S92 G133 F137 C138 R139	L76-I135 HydrophobicContact CD1-CD1 4.28Å; L88-I135 HydrophobicContact CB-CD1 3.95Å; Q89-I135 HydrophobicContact CG-CD1 4.28Å; Q89-I135 HydrophobicContact CG-CG1 3.81Å; S92-I135 PolarHBondContact OG-N 2.92Å; G133-I135 PolarHBondContact O-N 3.29Å; I135-F137 VanDerWaalsContact C-N 3.32Å; I135-F137 PolarHBondContact O-N 3.44Å; I135-C138 HydrophobicContact CD1-CB 4.4Å; I135-C138 WeakPolarHBondContact O-CB 3.39Å; I135-C138 PolarHBondContact O-N 2.67Å; I135-C138 VanDerWaalsContact O-N 3.14Å; I135-R139 HydrophobicContact CG1-CG 4.25Å; I135-R139 WeakPolarHBondContact O-CB 3.48Å; I135-R139 WeakPolarHBondContact O-CG 3.3Å; I135-R139 PolarHBondContact O-N 3.35Å
136	E	97.1	Very high	95.4	Very high	66 Å²	66	25.7 Å²	25.7	31%	0.308	13%	0.134	S	C	.	.	H	α-helix	trans	-63.1	-38.7	176.7	-65.1	83.5	168.3	0	0	111.8	Y34 S92 G133 R139 K140	Y34-E136 HydrophobicContact CE1-CB 4.07Å; Y34-E136 VanDerWaalsContact OH-CB 3.32Å; Y34-E136 WeakPolarHBondContact OH-CB 3.33Å; S92-E136 PolarHBondContact OG-OE2 3.08Å; G133-E136 WeakPolarHBondContact CA-OE2 3.26Å; G133-E136 PolarHBondContact O-N 3.13Å; E136-R139 PolarHBondContact O-N 3.33Å; E136-K140 WeakPolarHBondContact O-CG 3.48Å; E136-K140 PolarHBondContact O-N 2.94Å
137	F	97.9	Very high	96	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-59.2	-48.2	171.1	170.9	-101.3	0	0	0	111.2	I31 Y34 Y36 P44 M47 F131 G133 L134 I135 R139 K140 S141 L167	I31-F137 HydrophobicContact CD1-CD2 3.67Å; I31-F137 HydrophobicContact CD1-CE2 3.91Å; I31-F137 HydrophobicContact CG1-CD2 4.35Å; I31-F137 HydrophobicContact CG1-CE2 4.24Å; Y34-F137 HydrophobicContact CD1-CB 3.89Å; Y34-F137 HydrophobicContact CD2-CB 3.93Å; Y34-F137 AromaticContact CD2-CD2 3.74Å; Y34-F137 HydrophobicContact CD2-CD2 3.74Å; Y34-F137 HydrophobicContact CD2-CG 4.31Å; Y34-F137 HydrophobicContact CE1-CB 4.13Å; Y34-F137 HydrophobicContact CE2-CB 4.18Å; Y34-F137 HydrophobicContact CE2-CD2 4.43Å; Y34-F137 HydrophobicContact CG-CB 3.79Å; Y34-F137 HydrophobicContact CG-CD2 4.02Å; Y34-F137 HydrophobicContact CG-CG 4.3Å; Y36-F137 HydrophobicContact CE2-CE1 4.12Å; Y36-F137 HydrophobicContact CE2-CZ 4.3Å; Y36-F137 WeakPolarHBondContact OH-CE1 3.4Å; P44-F137 HydrophobicContact CB-CE2 4.1Å; P44-F137 HydrophobicContact CG-CD2 4.48Å; P44-F137 HydrophobicContact CG-CE2 3.98Å; P44-F137 HydrophobicContact CG-CZ 4.47Å; M47-F137 HydrophobicContact CE-CE2 4.35Å; M47-F137 HydrophobicContact CE-CZ 4.47Å; F131-F137 HydrophobicContact CE2-CB 4.18Å; F131-F137 HydrophobicContact CZ-CB 4.36Å; F131-F137 HydrophobicContact CZ-CD1 4.1Å; F131-F137 HydrophobicContact CZ-CG 4.34Å; G133-F137 WeakPolarHBondContact O-CB 3.38Å; G133-F137 PolarHBondContact O-N 3.36Å; L134-F137 WeakPolarHBondContact O-CB 3.39Å; L134-F137 PolarHBondContact O-N 2.91Å; I135-F137 VanDerWaalsContact C-N 3.32Å; I135-F137 PolarHBondContact O-N 3.44Å; F137-R139 PolarHBondContact O-N 3.38Å; F137-K140 PolarHBondContact O-N 3.14Å; F137-S141 WeakPolarHBondContact O-CB 3.46Å; F137-S141 PolarHBondContact O-N 3.07Å; F137-L167 HydrophobicContact CE1-CD2 4.09Å
138	C	98.2	Very high	96.4	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.007	7%	0.074	C	C	.	.	H	α-helix	trans	-61.3	-44.4	178.8	-62.6	0	0	0	0	111.7	L134 I135 K140 S141 A142 V181	L134-C138 PolarHBondContact O-N 2.85Å; L134-C138 VanDerWaalsContact O-N 3.12Å; L134-C138 PolarHBondContact O-SG 3.42Å; I135-C138 HydrophobicContact CD1-CB 4.4Å; I135-C138 WeakPolarHBondContact O-CB 3.39Å; I135-C138 PolarHBondContact O-N 2.67Å; I135-C138 VanDerWaalsContact O-N 3.14Å; C138-K140 PolarHBondContact O-N 3.26Å; C138-S141 PolarHBondContact O-N 3.34Å; C138-A142 VanDerWaalsContact O-CB 3.28Å; C138-A142 WeakPolarHBondContact O-CB 3.46Å; C138-A142 PolarHBondContact O-N 3.46Å; C138-V181 HydrophobicContact CB-CB 4.08Å; C138-V181 HydrophobicContact CB-CG2 3.77Å
139	R	98.3	Very high	96.5	Very high	60 Å²	60	13.2 Å²	13.2	23%	0.226	7%	0.073	C	C	.	.	H	α-helix	trans	-62.5	-41	179.9	-69.7	175.2	66.2	118.1	11.4	112.5	D70 A71 L76 I135 E136 F137 G143	D70-R139 HydrophobicContact CB-CB 4.19Å; D70-R139 PolarHBondContact O-NH2 3.16Å; A71-R139 WeakPolarHBondContact CB-O 3.22Å; A71-R139 PolarHBondContact N-O 2.62Å; A71-R139 VanDerWaalsContact O-CG 3.28Å; A71-R139 WeakPolarHBondContact O-CG 3.44Å; A71-R139 PolarHBondContact O-NE 3.43Å; A71-R139 PolarHBondContact O-NH2 3.2Å; L76-R139 HydrophobicContact CD1-CG 4.18Å; I135-R139 HydrophobicContact CG1-CG 4.25Å; I135-R139 WeakPolarHBondContact O-CB 3.48Å; I135-R139 WeakPolarHBondContact O-CG 3.3Å; I135-R139 PolarHBondContact O-N 3.35Å; E136-R139 PolarHBondContact O-N 3.33Å; F137-R139 PolarHBondContact O-N 3.38Å; R139-G143 PolarHBondContact O-N 2.81Å
140	K	98.3	Very high	96.8	Very high	6 Å²	6	13.2 Å²	13.2	3%	0.026	7%	0.072	C	C	.	.	H	α-helix	trans	-68.2	-44.2	177.1	-74.1	178.6	-172.9	-48.4	0	112.4	D28 I31 Y34 D70 E136 F137 C138 G144	D28-K140 HydrophobicContact CB-CD 4.14Å; D28-K140 IonicContact OD2-NZ 3.69Å; D28-K140 PolarHBondContact OD2-NZ 3.2Å; I31-K140 HydrophobicContact CD1-CB 3.8Å; I31-K140 HydrophobicContact CD1-CD 4.48Å; Y34-K140 HydrophobicContact CE2-CD 4.12Å; Y34-K140 WeakPolarHBondContact OH-CE 3.1Å; D70-K140 WeakPolarHBondContact OD1-CG 3.38Å; D70-K140 IonicContact OD1-NZ 3.08Å; D70-K140 PolarHBondContact OD1-NZ 3.02Å; D70-K140 IonicContact OD2-NZ 3Å; D70-K140 PolarHBondContact OD2-NZ 3.42Å; E136-K140 WeakPolarHBondContact O-CG 3.48Å; E136-K140 PolarHBondContact O-N 2.94Å; F137-K140 PolarHBondContact O-N 3.14Å; C138-K140 PolarHBondContact O-N 3.26Å; K140-G144 PolarHBondContact O-N 2.78Å
141	S	98.3	Very high	97	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.014	8%	0.079	C	C	.	.	H	α-helix	trans	-61	-51.2	176.9	176.6	0	0	0	0	110.9	F137 C138 S145 N162 S164 G165 L167	F137-S141 WeakPolarHBondContact O-CB 3.46Å; F137-S141 PolarHBondContact O-N 3.07Å; C138-S141 PolarHBondContact O-N 3.34Å; S141-S145 PolarHBondContact O-N 2.86Å; S141-N162 PolarHBondContact O-ND2 3.48Å; S141-S164 WeakPolarHBondContact CB-O 3.23Å; S141-S164 PolarHBondContact OG-O 3.36Å; S141-G165 WeakPolarHBondContact OG-CA 3.36Å; S141-L167 WeakPolarHBondContact OG-CD1 3.23Å
142	A	98.8	Very high	97.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.9	-46.6	177.7	0	0	0	0	0	113.1	A71 L76 C138 G144 S145 I146 V181 D183 L186	A71-A142 HydrophobicContact CB-CB 3.84Å; L76-A142 HydrophobicContact CD2-CB 3.8Å; C138-A142 VanDerWaalsContact O-CB 3.28Å; C138-A142 WeakPolarHBondContact O-CB 3.46Å; C138-A142 PolarHBondContact O-N 3.46Å; A142-G144 VanDerWaalsContact C-N 3.29Å; A142-G144 PolarHBondContact O-N 3.05Å; A142-S145 PolarHBondContact O-N 3.4Å; A142-I146 WeakPolarHBondContact O-CG1 3.29Å; A142-I146 PolarHBondContact O-N 3.2Å; A142-V181 HydrophobicContact CB-CG1 3.98Å; A142-D183 HydrophobicContact CB-CB 4.28Å; A142-L186 HydrophobicContact CB-CD1 4.12Å
143	G	98.7	Very high	97.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.4	-38.7	-178	0	0	0	0	0	112.5	H69 R139 S145 I146 D147	H69-G143 WeakPolarHBondContact O-CA 3.33Å; R139-G143 PolarHBondContact O-N 2.81Å; G143-S145 VanDerWaalsContact C-N 3.32Å; G143-S145 PolarHBondContact O-N 3.31Å; G143-I146 PolarHBondContact O-N 2.91Å; G143-D147 VanDerWaalsContact O-CB 3.23Å; G143-D147 WeakPolarHBondContact O-CB 3.34Å; G143-D147 VanDerWaalsContact O-CG 3.22Å; G143-D147 PolarHBondContact O-N 2.84Å
144	G	98.7	Very high	97.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64	-34.8	175	0	0	0	0	0	113.9	P68 K140 A142 A148	P68-G144 VanDerWaalsContact CB-CA 3.49Å; K140-G144 PolarHBondContact O-N 2.78Å; A142-G144 VanDerWaalsContact C-N 3.29Å; A142-G144 PolarHBondContact O-N 3.05Å; G144-A148 VanDerWaalsContact O-CB 3.26Å; G144-A148 WeakPolarHBondContact O-CB 3.3Å; G144-A148 PolarHBondContact O-N 3.07Å
145	S	98.9	Very high	97.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-76.5	-41	178.1	-60.3	0	0	0	0	111.4	S141 A142 G143 A149 N162 D183 L326	S141-S145 PolarHBondContact O-N 2.86Å; A142-S145 PolarHBondContact O-N 3.4Å; G143-S145 VanDerWaalsContact C-N 3.32Å; G143-S145 PolarHBondContact O-N 3.31Å; S145-A149 WeakPolarHBondContact O-CB 3.3Å; S145-A149 PolarHBondContact O-N 3.42Å; S145-N162 PolarHBondContact N-ND2 3.27Å; S145-N162 VanDerWaalsContact N-ND2 3.12Å; S145-N162 PolarHBondContact OG-ND2 2.83Å; S145-D183 WeakPolarHBondContact CB-OD2 3.2Å; S145-D183 PolarHBondContact OG-OD2 3.13Å; S145-L326 WeakPolarHBondContact OG-CD2 3.46Å
146	I	98.8	Very high	97.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.3	-49.7	175.1	-66.4	165.2	0	0	0	110.6	A71 E75 A142 G143 A148 A149 D150 L186 L416 T417	A71-I146 HydrophobicContact CB-CD1 4.2Å; E75-I146 HydrophobicContact CB-CD1 4.15Å; A142-I146 WeakPolarHBondContact O-CG1 3.29Å; A142-I146 PolarHBondContact O-N 3.2Å; G143-I146 PolarHBondContact O-N 2.91Å; I146-A148 VanDerWaalsContact C-N 3.29Å; I146-A148 PolarHBondContact O-N 3.27Å; I146-A149 WeakPolarHBondContact O-CB 3.47Å; I146-A149 PolarHBondContact O-N 3.36Å; I146-D150 WeakPolarHBondContact O-CB 3.49Å; I146-D150 PolarHBondContact O-N 3.17Å; I146-L186 HydrophobicContact CD1-CB 4.12Å; I146-L186 HydrophobicContact CD1-CD1 4.26Å; I146-L186 HydrophobicContact CG1-CB 3.99Å; I146-L416 HydrophobicContact CD1-CD1 4.27Å; I146-L416 HydrophobicContact CG1-CD1 4.16Å; I146-L416 HydrophobicContact CG2-CB 4.02Å; I146-L416 HydrophobicContact CG2-CD1 4.04Å; I146-T417 HydrophobicContact CG2-CG2 4.27Å
147	D	98.6	Very high	97.4	Very high	16 Å²	16	19.4 Å²	19.4	9%	0.086	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-40.4	-180	-78.7	-29.5	0	0	0	112	Y26 P68 H69 G143 D150 R151	Y26-D147 HydrophobicContact CD1-CB 4.05Å; Y26-D147 HydrophobicContact CE1-CB 3.26Å; Y26-D147 HydrophobicContact CE2-CB 4.28Å; Y26-D147 VanDerWaalsContact CZ-CB 3.41Å; Y26-D147 WeakPolarHBondContact OH-CB 3.46Å; Y26-D147 PolarHBondContact OH-O 2.86Å; P68-D147 WeakPolarHBondContact CA-OD2 3.13Å; H69-D147 IonicContact CE1-OD1 3.95Å; H69-D147 PolarHBondContact CE1-OD1 3.16Å; H69-D147 VanDerWaalsContact CE1-OD1 3.25Å; H69-D147 IonicContact CE1-OD2 2.69Å; H69-D147 IonicContact CG-OD1 3.66Å; H69-D147 IonicContact CG-OD2 3.31Å; H69-D147 PolarHBondContact N-OD2 2.99Å; H69-D147 IonicContact ND1-OD1 3.84Å; H69-D147 PolarHBondContact ND1-OD1 2.8Å; H69-D147 IonicContact ND1-OD2 3.51Å; H69-D147 PolarHBondContact ND1-OD2 2.59Å; G143-D147 VanDerWaalsContact O-CB 3.23Å; G143-D147 WeakPolarHBondContact O-CB 3.34Å; G143-D147 VanDerWaalsContact O-CG 3.22Å; G143-D147 PolarHBondContact O-N 2.84Å; D147-D150 PolarHBondContact O-N 3.06Å; D147-R151 WeakPolarHBondContact O-CG 3.38Å; D147-R151 PolarHBondContact O-N 3.42Å
148	A	98.4	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.8	-43.9	177.1	0	0	0	0	0	111.4	Y26 G144 I146 R151 L152 L324	Y26-A148 HydrophobicContact CD2-CB 3.87Å; Y26-A148 HydrophobicContact CE2-CB 3.68Å; G144-A148 VanDerWaalsContact O-CB 3.26Å; G144-A148 WeakPolarHBondContact O-CB 3.3Å; G144-A148 PolarHBondContact O-N 3.07Å; I146-A148 VanDerWaalsContact C-N 3.29Å; I146-A148 PolarHBondContact O-N 3.27Å; A148-R151 PolarHBondContact O-N 3.08Å; A148-L152 WeakPolarHBondContact O-CG 3.33Å; A148-L152 PolarHBondContact O-N 2.91Å; A148-L152 VanDerWaalsContact O-N 3.08Å; A148-L324 HydrophobicContact CB-CD1 3.45Å; A148-L324 VanDerWaalsContact CB-CD1 3.45Å
149	A	98.7	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60	-44.7	174.7	0	0	0	0	0	112.3	S145 I146 R151 L152 N153 A187 E190 L191	S145-A149 WeakPolarHBondContact O-CB 3.3Å; S145-A149 PolarHBondContact O-N 3.42Å; I146-A149 WeakPolarHBondContact O-CB 3.47Å; I146-A149 PolarHBondContact O-N 3.36Å; A149-R151 VanDerWaalsContact C-N 3.34Å; A149-R151 PolarHBondContact O-N 2.87Å; A149-L152 WeakPolarHBondContact O-CB 3.36Å; A149-L152 PolarHBondContact O-N 2.78Å; A149-N153 PolarHBondContact O-N 2.94Å; A149-A187 HydrophobicContact CB-CB 4.11Å; A149-A187 WeakPolarHBondContact CB-O 3.45Å; A149-E190 HydrophobicContact CB-CB 3.88Å; A149-E190 HydrophobicContact CB-CG 3.89Å; A149-L191 HydrophobicContact CB-CD2 4.13Å; A149-L191 HydrophobicContact CB-CG 3.86Å
150	D	97.7	Very high	97.3	Very high	9 Å²	9	19.2 Å²	19.2	5%	0.048	11%	0.111	C	C	.	.	H	α-helix	trans	-60	-42.4	176	170.1	71.8	0	0	0	112	I146 D147 L152 N153 K154 E190 T417	I146-D150 WeakPolarHBondContact O-CB 3.49Å; I146-D150 PolarHBondContact O-N 3.17Å; D147-D150 PolarHBondContact O-N 3.06Å; D150-L152 VanDerWaalsContact C-N 3.33Å; D150-L152 PolarHBondContact O-N 2.78Å; D150-N153 WeakPolarHBondContact O-CB 3.3Å; D150-N153 PolarHBondContact O-N 2.98Å; D150-K154 WeakPolarHBondContact O-CB 3.35Å; D150-K154 WeakPolarHBondContact O-CG 3.17Å; D150-K154 PolarHBondContact O-N 2.88Å; D150-K154 WeakPolarHBondContact OD1-CE 3.32Å; D150-K154 IonicContact OD1-NZ 3.8Å; D150-K154 PolarHBondContact OD1-NZ 2.82Å; D150-K154 WeakPolarHBondContact OD2-CD 3.14Å; D150-K154 WeakPolarHBondContact OD2-CE 3.22Å; D150-K154 IonicContact OD2-NZ 2.82Å; D150-K154 PolarHBondContact OD2-NZ 3.5Å; D150-E190 HydrophobicContact CB-CG 4.23Å; D150-T417 HydrophobicContact CB-CG2 3.88Å; D150-T417 PolarHBondContact OD1-OG1 3.33Å
151	R	96.6	Very high	97.3	Very high	45 Å²	45	19 Å²	19	17%	0.17	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-34.3	176.5	-76.6	-164.2	179.1	-109.1	7.3	113.3	Y26 L66 D147 A148 A149 G155 S156 A157 D433	Y26-R151 WeakPolarHBondContact OH-CD 3.45Å; Y26-R151 PolarHBondContact OH-NE 3.44Å; Y26-R151 VanDerWaalsContact OH-NE 3.15Å; L66-R151 VanDerWaalsContact CD1-CZ 3.4Å; L66-R151 VanDerWaalsContact CD1-NH2 3.31Å; D147-R151 WeakPolarHBondContact O-CG 3.38Å; D147-R151 PolarHBondContact O-N 3.42Å; A148-R151 PolarHBondContact O-N 3.08Å; A149-R151 VanDerWaalsContact C-N 3.34Å; A149-R151 PolarHBondContact O-N 2.87Å; R151-G155 PolarHBondContact O-N 2.86Å; R151-S156 WeakPolarHBondContact CA-OG 3.45Å; R151-S156 WeakPolarHBondContact CB-OG 3.31Å; R151-S156 WeakPolarHBondContact CG-OG 3.34Å; R151-S156 PolarHBondContact O-N 3.29Å; R151-S156 PolarHBondContact O-OG 3.48Å; R151-S156 VanDerWaalsContact O-OG 3.05Å; R151-A157 HydrophobicContact CB-CB 4.08Å; R151-A157 PolarHBondContact O-N 3.32Å; R151-D433 IonicContact NH2-OD1 3.96Å; R151-D433 PolarHBondContact NH2-OD1 2.87Å
152	L	97	Very high	97.3	Very high	7 Å²	7	18.9 Å²	18.9	4%	0.037	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-46.6	172.9	-66.9	175.5	0	0	0	110.8	A148 A149 D150 K154 G155 Y158 L191 P322 L324	A148-L152 WeakPolarHBondContact O-CG 3.33Å; A148-L152 PolarHBondContact O-N 2.91Å; A148-L152 VanDerWaalsContact O-N 3.08Å; A149-L152 WeakPolarHBondContact O-CB 3.36Å; A149-L152 PolarHBondContact O-N 2.78Å; D150-L152 VanDerWaalsContact C-N 3.33Å; D150-L152 PolarHBondContact O-N 2.78Å; L152-K154 VanDerWaalsContact C-N 3.31Å; L152-K154 PolarHBondContact O-N 3.42Å; L152-G155 PolarHBondContact O-N 3.32Å; L152-Y158 VanDerWaalsContact CD2-O 3.27Å; L152-Y158 WeakPolarHBondContact CD2-O 3.45Å; L152-L191 HydrophobicContact CB-CD2 3.98Å; L152-L191 HydrophobicContact CD1-CD2 4.18Å; L152-P322 HydrophobicContact CD2-CB 4.29Å; L152-L324 HydrophobicContact CD1-CB 3.9Å
153	N	96.9	Very high	97.3	Very high	23 Å²	23	19 Å²	19	12%	0.123	11%	0.109	C	C	.	.	H	α-helix	trans	-55.5	-45.5	174.5	-80.6	-16.6	0	0	0	112.1	A149 D150 G155 E190 L191 T194 H195	A149-N153 PolarHBondContact O-N 2.94Å; D150-N153 WeakPolarHBondContact O-CB 3.3Å; D150-N153 PolarHBondContact O-N 2.98Å; N153-G155 PolarHBondContact O-N 3.26Å; N153-E190 PolarHBondContact ND2-O 2.86Å; N153-L191 WeakPolarHBondContact OD1-CA 3.31Å; N153-L191 PolarHBondContact OD1-O 2.97Å; N153-T194 WeakPolarHBondContact CB-OG1 3.36Å; N153-T194 WeakPolarHBondContact OD1-CB 3.28Å; N153-T194 PolarHBondContact OD1-OG1 2.9Å; N153-H195 PolarHBondContact OD1-CD2 3.12Å; N153-H195 VanDerWaalsContact OD1-CD2 3.24Å
154	K	95	Very high	97.3	Very high	111 Å²	111	19.4 Å²	19.4	48%	0.483	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.9	179	-71.7	169.4	178	157.1	0	113.5	D150 L152 S156	D150-K154 WeakPolarHBondContact O-CB 3.35Å; D150-K154 WeakPolarHBondContact O-CG 3.17Å; D150-K154 PolarHBondContact O-N 2.88Å; D150-K154 WeakPolarHBondContact OD1-CE 3.32Å; D150-K154 IonicContact OD1-NZ 3.8Å; D150-K154 PolarHBondContact OD1-NZ 2.82Å; D150-K154 WeakPolarHBondContact OD2-CD 3.14Å; D150-K154 WeakPolarHBondContact OD2-CE 3.22Å; D150-K154 IonicContact OD2-NZ 2.82Å; D150-K154 PolarHBondContact OD2-NZ 3.5Å; L152-K154 VanDerWaalsContact C-N 3.31Å; L152-K154 PolarHBondContact O-N 3.42Å; K154-S156 PolarHBondContact O-N 2.93Å
155	G	93.2	Very high	97.3	Very high	63 Å²	63	19.4 Å²	19.4	65%	0.649	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	17.8	-173.9	0	0	0	0	0	113.6	R151 L152 N153	R151-G155 PolarHBondContact O-N 2.86Å; L152-G155 PolarHBondContact O-N 3.32Å; N153-G155 PolarHBondContact O-N 3.26Å
156	S	92.8	Very high	97.3	Very high	55 Å²	55	19.5 Å²	19.5	39%	0.385	11%	0.113	S	C	.	.	S	Bend	trans	-85	-14.9	-179.9	69.1	0	0	0	0	112.8	R151 K154	R151-S156 WeakPolarHBondContact CA-OG 3.45Å; R151-S156 WeakPolarHBondContact CB-OG 3.31Å; R151-S156 WeakPolarHBondContact CG-OG 3.34Å; R151-S156 PolarHBondContact O-N 3.29Å; R151-S156 PolarHBondContact O-OG 3.48Å; R151-S156 VanDerWaalsContact O-OG 3.05Å; K154-S156 PolarHBondContact O-N 2.93Å
157	A	95.1	Very high	97.3	Very high	7 Å²	7	20.2 Å²	20.2	6%	0.058	12%	0.117	C	C	.	.			trans	-138.9	160.8	167.7	0	0	0	0	0	108.6	V24 R151	V24-A157 HydrophobicContact CB-CB 4.3Å; V24-A157 HydrophobicContact CG1-CB 3.67Å; V24-A157 HydrophobicContact CG2-CB 3.68Å; R151-A157 HydrophobicContact CB-CB 4.08Å; R151-A157 PolarHBondContact O-N 3.32Å
158	Y	95.8	Very high	97.3	Very high	53 Å²	53	19.7 Å²	19.7	21%	0.208	11%	0.114	C	C	.	.	S	Bend	trans	-114.4	-28.4	174	-166.3	-110.1	0	0	0	112.1	E22 L152 N320 I321 P322 L323	E22-Y158 VanDerWaalsContact CG-CB 3.41Å; E22-Y158 HydrophobicContact CG-CD1 4.02Å; E22-Y158 HydrophobicContact CG-CG 4.06Å; E22-Y158 PolarHBondContact O-N 2.99Å; E22-Y158 WeakPolarHBondContact OE1-CD1 3.23Å; L152-Y158 VanDerWaalsContact CD2-O 3.27Å; L152-Y158 WeakPolarHBondContact CD2-O 3.45Å; Y158-N320 WeakPolarHBondContact OH-CA 3.43Å; Y158-N320 VanDerWaalsContact OH-CB 3.31Å; Y158-N320 WeakPolarHBondContact OH-CB 3.44Å; Y158-N320 PolarHBondContact OH-O 3.39Å; Y158-I321 PolarHBondContact OH-N 3.05Å; Y158-P322 HydrophobicContact CD2-CG 4.45Å; Y158-P322 HydrophobicContact CE2-CG 4.21Å; Y158-P322 WeakPolarHBondContact O-CA 3.28Å; Y158-L323 PolarHBondContact O-N 3.47Å
159	I	98.3	Very high	97.4	Very high	7 Å²	7	20 Å²	20	4%	0.036	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123	171	-55.5	175.5	0	0	0	108.6	E22 V23 V24 I161 R317 L323 L325 A347	E22-I159 PolarHBondContact O-N 3.21Å; V23-I159 WeakPolarHBondContact CA-O 3.26Å; V23-I159 HydrophobicContact CG1-CB 4.32Å; V23-I159 HydrophobicContact CG1-CG2 4.34Å; V23-I159 HydrophobicContact CG2-CB 4.18Å; V23-I159 HydrophobicContact CG2-CD1 4.28Å; V24-I159 PolarHBondContact N-O 2.88Å; I159-I161 HydrophobicContact CG2-CG1 4.15Å; I159-R317 HydrophobicContact CD1-CG 4.15Å; I159-L323 CarbonylContact C-O 3.59Å; I159-L323 WeakPolarHBondContact CA-O 3.47Å; I159-L323 HydrophobicContact CG1-CB 4.39Å; I159-L325 HydrophobicContact CG2-CD1 4.28Å; I159-L325 HydrophobicContact CG2-CG 4.42Å; I159-A347 HydrophobicContact CG2-CB 4.3Å
160	G	98.5	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	141.9	166.6	0	0	0	0	0	110.5	V24 L323 L324 L325	V24-G160 CarbonylContact O-C 3.31Å; G160-L323 PolarHBondContact N-O 2.85Å; G160-L324 CarbonylContact O-C 3.59Å; G160-L324 WeakPolarHBondContact O-CA 3.14Å; G160-L325 PolarHBondContact O-N 3.43Å
161	I	98.8	Very high	97.4	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.7	176.4	-52.8	179.9	0	0	0	108.7	V23 V24 Y25 Y26 I159 W163 L325 T344 A347	V23-I161 HydrophobicContact CG1-CD1 3.77Å; V23-I161 HydrophobicContact CG1-CG1 4.19Å; V24-I161 PolarHBondContact O-N 3.44Å; Y25-I161 WeakPolarHBondContact CA-O 3.34Å; Y25-I161 HydrophobicContact CD2-CB 3.89Å; Y25-I161 HydrophobicContact CD2-CG2 3.7Å; Y25-I161 HydrophobicContact CE2-CG2 4.23Å; Y26-I161 PolarHBondContact N-O 3.24Å; I159-I161 HydrophobicContact CG2-CG1 4.15Å; I161-W163 HydrophobicContact CG2-CD2 3.76Å; I161-W163 HydrophobicContact CG2-CE3 4.38Å; I161-W163 HydrophobicContact CG2-CG 4.15Å; I161-W163 HydrophobicContact CG2-CH2 4.29Å; I161-W163 HydrophobicContact CG2-CZ2 3.67Å; I161-L325 CarbonylContact C-O 3.51Å; I161-L325 WeakPolarHBondContact CA-O 3.37Å; I161-L325 HydrophobicContact CD1-CD1 4.5Å; I161-L325 HydrophobicContact CG1-CB 4.32Å; I161-L325 HydrophobicContact CG1-CD1 4.28Å; I161-T344 HydrophobicContact CD1-CG2 4.15Å; I161-A347 HydrophobicContact CD1-CB 3.79Å
162	N	98.9	Very high	97.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	91.1	169	179.1	22.5	0	0	0	110.5	S141 S145 S164 G165 L325 L326 G327	S141-N162 PolarHBondContact O-ND2 3.48Å; S145-N162 PolarHBondContact N-ND2 3.27Å; S145-N162 VanDerWaalsContact N-ND2 3.12Å; S145-N162 PolarHBondContact OG-ND2 2.83Å; N162-S164 PolarHBondContact O-N 2.84Å; N162-S164 VanDerWaalsContact O-N 3.17Å; N162-S164 WeakPolarHBondContact OD1-CB 3.48Å; N162-S164 PolarHBondContact OD1-N 2.06Å; N162-S164 PolarHBondContact OD1-OG 3.06Å; N162-G165 PolarHBondContact ND2-N 2.89Å; N162-G165 PolarHBondContact O-N 2.82Å; N162-G165 VanDerWaalsContact O-N 3.15Å; N162-L325 PolarHBondContact N-O 3.04Å; N162-L326 HydrophobicContact CB-CD2 3.87Å; N162-L326 WeakPolarHBondContact O-CA 3.44Å; N162-G327 PolarHBondContact O-N 3.32Å
163	W	98.9	Very high	97.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.008	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-10	176	-59.4	136.4	0	0	0	113.6	Y25 I161 C289 L325 L326 W340 E343 T344	Y25-W163 AromaticContact CE2-CD1 3.48Å; Y25-W163 VanDerWaalsContact CE2-CD1 3.48Å; Y25-W163 HydrophobicContact CE2-CG 4.24Å; I161-W163 HydrophobicContact CG2-CD2 3.76Å; I161-W163 HydrophobicContact CG2-CE3 4.38Å; I161-W163 HydrophobicContact CG2-CG 4.15Å; I161-W163 HydrophobicContact CG2-CH2 4.29Å; I161-W163 HydrophobicContact CG2-CZ2 3.67Å; W163-C289 HydrophobicContact CZ3-CB 3.93Å; W163-L325 HydrophobicContact CH2-CB 4.16Å; W163-L325 HydrophobicContact CH2-CD1 4.47Å; W163-L325 HydrophobicContact CZ3-CB 4.32Å; W163-L326 WeakPolarHBondContact CZ3-O 3.42Å; W163-W340 HydrophobicContact CB-CD2 4.24Å; W163-W340 HydrophobicContact CB-CE3 3.81Å; W163-W340 HydrophobicContact CB-CZ3 4.1Å; W163-W340 HydrophobicContact CD2-CB 3.82Å; W163-W340 HydrophobicContact CD2-CD2 4.16Å; W163-W340 AromaticContact CD2-CG 3.84Å; W163-W340 HydrophobicContact CD2-CG 3.84Å; W163-W340 HydrophobicContact CE3-CB 4.25Å; W163-W340 AromaticContact CE3-CD1 3.8Å; W163-W340 HydrophobicContact CE3-CD2 4.11Å; W163-W340 AromaticContact CE3-CG 3.83Å; W163-W340 HydrophobicContact CE3-CG 3.83Å; W163-W340 HydrophobicContact CG-CB 4.13Å; W163-W340 HydrophobicContact CG-CD2 4.24Å; W163-W340 HydrophobicContact CG-CE3 4.16Å; W163-W340 HydrophobicContact CG-CG 4.26Å; W163-W340 HydrophobicContact CZ2-CB 4.12Å; W163-W340 WeakPolarHBondContact CZ2-O 3.33Å; W163-W340 AromaticContact CZ3-CD1 3.84Å; W163-W340 HydrophobicContact CZ3-CG 4.23Å; W163-E343 HydrophobicContact CH2-CB 3.93Å; W163-E343 HydrophobicContact CZ2-CB 4.13Å; W163-T344 WeakPolarHBondContact CZ2-OG1 3.18Å; W163-T344 PolarHBondContact NE1-OG1 3.34Å
164	S	98.4	Very high	97.1	Very high	9 Å²	9	30.8 Å²	30.8	6%	0.063	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.2	173.3	74.8	0	0	0	0	114.6	M47 S141 N162	M47-S164 WeakPolarHBondContact CE-O 3.46Å; S141-S164 WeakPolarHBondContact CB-O 3.23Å; S141-S164 PolarHBondContact OG-O 3.36Å; N162-S164 PolarHBondContact O-N 2.84Å; N162-S164 VanDerWaalsContact O-N 3.17Å; N162-S164 WeakPolarHBondContact OD1-CB 3.48Å; N162-S164 PolarHBondContact OD1-N 2.06Å; N162-S164 PolarHBondContact OD1-OG 3.06Å
165	G	98.7	Very high	97.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	13%	0.133	C	C	.	.			trans	-90.3	-164.5	176.1	0	0	0	0	0	113.7	S141 N162 D183 G327 G328	S141-G165 WeakPolarHBondContact OG-CA 3.36Å; N162-G165 PolarHBondContact ND2-N 2.89Å; N162-G165 PolarHBondContact O-N 2.82Å; N162-G165 VanDerWaalsContact O-N 3.15Å; G165-D183 WeakPolarHBondContact CA-OD2 3.44Å; G165-G327 CarbonylContact O-C 3.58Å; G165-G327 VanDerWaalsContact O-CA 3.26Å; G165-G327 WeakPolarHBondContact O-CA 3.2Å; G165-G327 PolarHBondContact O-N 3.26Å; G165-G328 PolarHBondContact O-N 2.92Å
166	G	98.8	Very high	97.3	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	11%	0.106	C	C	.	.			trans	92.1	23.2	-179.7	0	0	0	0	0	114	H168 D183 Q288 G328	G166-H168 VanDerWaalsContact C-N 3.27Å; G166-H168 PolarHBondContact O-N 2.83Å; G166-D183 VanDerWaalsContact N-CG 3.32Å; G166-D183 PolarHBondContact N-OD1 3.2Å; G166-D183 PolarHBondContact N-OD2 3.32Å; G166-Q288 PolarHBondContact O-NE2 2.95Å; G166-G328 WeakPolarHBondContact O-CA 3.43Å
167	L	98.8	Very high	97.5	Very high	16 Å²	16	21.1 Å²	21.1	8%	0.084	9%	0.094	C	C	.	.			trans	-82.6	69.3	-175.4	-76.7	72.9	0	0	0	111	F137 S141 H169 C179 D183	F137-L167 HydrophobicContact CE1-CD2 4.09Å; S141-L167 WeakPolarHBondContact OG-CD1 3.23Å; L167-H169 VanDerWaalsContact C-N 3.33Å; L167-H169 PolarHBondContact O-N 2.93Å; L167-C179 VanDerWaalsContact C-SG 3.54Å; L167-C179 VanDerWaalsContact CA-SG 3.55Å; L167-C179 HydrophobicContact CB-CB 3.88Å; L167-C179 HydrophobicContact CG-CB 4.49Å; L167-D183 PolarHBondContact N-OD1 2.87Å
168	H	98.8	Very high	97.6	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.019	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.7	-165	66	175.4	0	0	0	116.7	G166 N182 I184 D202 D204 G208 G210 V211	G166-H168 VanDerWaalsContact C-N 3.27Å; G166-H168 PolarHBondContact O-N 2.83Å; H168-N182 PolarHBondContact O-ND2 3.36Å; H168-I184 HydrophobicContact CB-CD1 3.54Å; H168-D202 IonicContact CE1-OD1 2.78Å; H168-D202 IonicContact CE1-OD2 3.53Å; H168-D202 IonicContact CG-OD2 2.72Å; H168-D202 IonicContact ND1-OD1 3.71Å; H168-D202 IonicContact ND1-OD2 3.76Å; H168-D202 PolarHBondContact ND1-OD2 2.9Å; H168-D204 VanDerWaalsContact CE1-CB 3.41Å; H168-D204 WeakPolarHBondContact CE1-CB 3.33Å; H168-D204 VanDerWaalsContact CE1-CG 3.42Å; H168-D204 IonicContact CE1-OD1 3.59Å; H168-D204 IonicContact CE1-OD2 2.9Å; H168-D204 IonicContact NE2-OD1 3.74Å; H168-D204 IonicContact NE2-OD2 2.99Å; H168-G208 WeakPolarHBondContact ND1-CA 3.28Å; H168-G210 WeakPolarHBondContact O-CA 3.39Å; H168-G210 PolarHBondContact O-N 2.76Å; H168-V211 HydrophobicContact CB-CG2 3.98Å; H168-V211 PolarHBondContact O-N 3.04Å
169	H	98.8	Very high	97.8	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.028	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-19.7	-176.2	-68.2	-48.5	0	0	0	113.4	L167 K171 S176 C179 H206 H207 D209 F233	L167-H169 VanDerWaalsContact C-N 3.33Å; L167-H169 PolarHBondContact O-N 2.93Å; H169-K171 WeakPolarHBondContact O-CD 3.39Å; H169-K171 WeakPolarHBondContact O-CE 3.27Å; H169-K171 PolarHBondContact O-N 3.43Å; H169-S176 WeakPolarHBondContact CB-O 3.44Å; H169-S176 WeakPolarHBondContact O-CB 3.27Å; H169-C179 HydrophobicContact CB-CB 3.99Å; H169-H206 AromaticContact NE2-CG 3.95Å; H169-H207 PolarHBondContact CE1-O 3.34Å; H169-D209 IonicContact CE1-OD1 3.21Å; H169-D209 IonicContact CG-OD1 3.64Å; H169-D209 IonicContact ND1-OD1 2.76Å; H169-D209 PolarHBondContact ND1-OD1 3.19Å; H169-F233 AromaticContact CD2-CE1 3.69Å; H169-F233 AromaticContact CE1-CE1 3.62Å; H169-F233 AromaticContact CG-CE1 3.88Å; H169-F233 AromaticContact ND1-CE1 3.83Å; H169-F233 AromaticContact NE2-CD1 3.87Å; H169-F233 AromaticContact NE2-CE1 3.47Å; H169-F233 WeakPolarHBondContact NE2-CE1 3.43Å
170	A	98.5	Very high	97.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.087	C	C	.	.			trans	-60.4	133.3	-177.5	0	0	0	0	0	110.6	C179 V181 N182	A170-C179 HydrophobicContact CB-CB 3.72Å; A170-C179 VanDerWaalsContact N-CB 3.33Å; A170-V181 VanDerWaalsContact CB-C 3.46Å; A170-N182 HydrophobicContact CB-CB 3.79Å; A170-N182 PolarHBondContact O-ND2 2.92Å
171	K	97.9	Very high	97.8	Very high	11 Å²	11	19.6 Å²	19.6	5%	0.048	9%	0.088	C	C	.	.			trans	-101.6	-179.5	-178.4	-52.6	-59.4	-173.4	156.1	0	110.4	H80 H169 W173 E174 D209 E213	H80-K171 PolarHBondContact CE1-O 3.47Å; H80-K171 PolarHBondContact ND1-O 3.06Å; H169-K171 WeakPolarHBondContact O-CD 3.39Å; H169-K171 WeakPolarHBondContact O-CE 3.27Å; H169-K171 PolarHBondContact O-N 3.43Å; K171-W173 PolarHBondContact O-N 3.4Å; K171-E174 HydrophobicContact CB-CG 3.5Å; K171-E174 VanDerWaalsContact CB-CG 3.5Å; K171-E174 HydrophobicContact CG-CG 3.62Å; K171-E174 PolarHBondContact N-O 2.92Å; K171-D209 WeakPolarHBondContact CE-OD2 3.44Å; K171-D209 VanDerWaalsContact NZ-CG 3.28Å; K171-D209 PolarHBondContact NZ-O 3.04Å; K171-D209 IonicContact NZ-OD1 3.82Å; K171-D209 IonicContact NZ-OD2 3.72Å; K171-D209 PolarHBondContact NZ-OD2 3.32Å; K171-E213 IonicContact NZ-OE2 3.24Å; K171-E213 PolarHBondContact NZ-OE2 2.65Å
172	R	96.7	Very high	97.8	Very high	126 Å²	126	19.6 Å²	19.6	48%	0.475	9%	0.088	S	C	.	.	S	Bend	trans	-62.2	-39.4	-178.8	-177.9	165	-169	160	5.3	113.4	F79 H80 S81	F79-R172 HydrophobicContact CE1-CB 4.48Å; F79-R172 HydrophobicContact CE2-CB 4.13Å; F79-R172 HydrophobicContact CZ-CB 3.95Å; F79-R172 WeakPolarHBondContact O-CG 3.37Å; F79-R172 PolarHBondContact O-NE 2.94Å; H80-R172 WeakPolarHBondContact CA-O 3.43Å; H80-R172 PolarHBondContact ND1-O 3.18Å; S81-R172 PolarHBondContact N-O 3.12Å; S81-R172 VanDerWaalsContact N-O 3.09Å
173	W	94.3	Very high	97.8	Very high	121 Å²	121	19.6 Å²	19.6	46%	0.458	9%	0.088	S	C	.	.	S	Bend	trans	-133.3	9.4	-174.7	56.4	71.9	0	0	0	113.7	Y84 K171	Y84-W173 VanDerWaalsContact CD2-O 3.27Å; Y84-W173 WeakPolarHBondContact CD2-O 3.47Å; K171-W173 PolarHBondContact O-N 3.4Å
174	E	93.5	Very high	97.8	Very high	54 Å²	54	19.5 Å²	19.5	25%	0.252	9%	0.088	S	C	.	.			trans	-142.7	146.5	-180	63.5	177.2	-172.9	0	0	112	V122 N123 K171	V122-E174 WeakPolarHBondContact O-CA 3.32Å; N123-E174 HydrophobicContact CB-CB 4.42Å; K171-E174 HydrophobicContact CB-CG 3.5Å; K171-E174 VanDerWaalsContact CB-CG 3.5Å; K171-E174 HydrophobicContact CG-CG 3.62Å; K171-E174 PolarHBondContact N-O 2.92Å
175	A	96.7	Very high	97.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.085	C	C	.	.			trans	-76.6	152.1	167.5	0	0	0	0	0	109.9	Y84 V122 N123 V124 C128 C179 Y180	Y84-A175 WeakPolarHBondContact OH-CA 3.37Å; Y84-A175 WeakPolarHBondContact OH-CB 3.41Å; Y84-A175 PolarHBondContact OH-N 2.97Å; V122-A175 PolarHBondContact O-N 3.25Å; N123-A175 VanDerWaalsContact CB-O 3.3Å; N123-A175 WeakPolarHBondContact CB-O 3.5Å; N123-A175 PolarHBondContact ND2-O 3.36Å; V124-A175 HydrophobicContact CG2-CB 3.72Å; C128-A175 HydrophobicContact CB-CB 3.92Å; A175-C179 CarbonylContact C-O 3.56Å; A175-C179 VanDerWaalsContact CA-O 3.22Å; A175-C179 WeakPolarHBondContact CA-O 3.47Å; A175-C179 WeakPolarHBondContact CB-O 3.43Å; A175-Y180 HydrophobicContact CB-CD1 3.79Å; A175-Y180 HydrophobicContact CB-CE1 4.37Å; A175-Y180 HydrophobicContact CB-CG 4.41Å
176	S	97.1	Very high	97.8	Very high	13 Å²	13	19.1 Å²	19.1	9%	0.091	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-158.8	143.9	175.6	-173.4	0	0	0	0	110	H169 F178 C179 F233	H169-S176 WeakPolarHBondContact CB-O 3.44Å; H169-S176 WeakPolarHBondContact O-CB 3.27Å; S176-F178 PolarHBondContact O-N 2.71Å; S176-C179 PolarHBondContact N-O 3.47Å; S176-C179 WeakPolarHBondContact O-CA 3.16Å; S176-C179 VanDerWaalsContact O-CB 3.23Å; S176-C179 WeakPolarHBondContact O-CB 3.43Å; S176-C179 PolarHBondContact O-N 3.46Å; S176-F233 WeakPolarHBondContact OG-CZ 3.39Å
177	G	96.5	Very high	97.8	Very high	12 Å²	12	19 Å²	19	12%	0.124	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	49.9	173	0	0	0	0	0	114.3	C179	G177-C179 PolarHBondContact O-N 3Å; G177-C179 VanDerWaalsContact O-N 3.14Å; G177-C179 PolarHBondContact O-SG 3.42Å
178	F	97.6	Very high	97.8	Very high	24 Å²	24	18.3 Å²	18.3	11%	0.105	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	1.5	-178.1	-38.1	-40.4	0	0	0	115.7	Y36 H40 V41 M42 D127 C128 S176 L299 Y331	Y36-F178 HydrophobicContact CE1-CB 4.05Å; Y36-F178 PolarHBondContact OH-O 3.35Å; H40-F178 AromaticContact CE1-CD1 3.46Å; H40-F178 VanDerWaalsContact CE1-CD1 3.46Å; H40-F178 WeakPolarHBondContact CE1-CD1 3.32Å; H40-F178 AromaticContact CE1-CE1 3.7Å; H40-F178 AromaticContact CE1-CG 3.93Å; H40-F178 AromaticContact NE2-CD1 3.52Å; H40-F178 AromaticContact NE2-CE1 3.58Å; V41-F178 HydrophobicContact CG2-CE1 4.47Å; V41-F178 HydrophobicContact CG2-CE2 3.79Å; V41-F178 HydrophobicContact CG2-CZ 3.64Å; M42-F178 HydrophobicContact CB-CB 4.41Å; M42-F178 HydrophobicContact CB-CD2 4.41Å; M42-F178 HydrophobicContact CB-CG 4.39Å; M42-F178 HydrophobicContact CE-CB 4.26Å; M42-F178 HydrophobicContact CE-CD2 4.27Å; D127-F178 HydrophobicContact CB-CE1 4.12Å; D127-F178 WeakPolarHBondContact O-CD1 3.49Å; C128-F178 PolarHBondContact SG-N 2.77Å; C128-F178 VanDerWaalsContact SG-N 3.38Å; S176-F178 PolarHBondContact O-N 2.71Å; F178-L299 HydrophobicContact CE2-CD1 3.88Å; F178-L299 HydrophobicContact CZ-CD1 4.22Å; F178-Y331 AromaticContact CD2-CE1 3.85Å; F178-Y331 HydrophobicContact CD2-CE1 3.85Å; F178-Y331 AromaticContact CE2-CE1 3.69Å; F178-Y331 HydrophobicContact CE2-CE1 3.69Å; F178-Y331 AromaticContact CE2-CZ 3.83Å
179	C	98.5	Very high	97.8	Very high	8 Å²	8	20.5 Å²	20.5	5%	0.054	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-105.2	127.7	-176.1	-55.6	0	0	0	0	110.4	L167 H169 A170 A175 S176 G177	L167-C179 VanDerWaalsContact C-SG 3.54Å; L167-C179 VanDerWaalsContact CA-SG 3.55Å; L167-C179 HydrophobicContact CB-CB 3.88Å; L167-C179 HydrophobicContact CG-CB 4.49Å; H169-C179 HydrophobicContact CB-CB 3.99Å; A170-C179 HydrophobicContact CB-CB 3.72Å; A170-C179 VanDerWaalsContact N-CB 3.33Å; A175-C179 CarbonylContact C-O 3.56Å; A175-C179 VanDerWaalsContact CA-O 3.22Å; A175-C179 WeakPolarHBondContact CA-O 3.47Å; A175-C179 WeakPolarHBondContact CB-O 3.43Å; S176-C179 PolarHBondContact N-O 3.47Å; S176-C179 WeakPolarHBondContact O-CA 3.16Å; S176-C179 VanDerWaalsContact O-CB 3.23Å; S176-C179 WeakPolarHBondContact O-CB 3.43Å; S176-C179 PolarHBondContact O-N 3.46Å; G177-C179 PolarHBondContact O-N 3Å; G177-C179 VanDerWaalsContact O-N 3.14Å; G177-C179 PolarHBondContact O-SG 3.42Å
180	Y	98	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-108.4	-48.3	179	-50.6	-95.3	0	0	0	111.1	Y36 Y84 L88 V124 C128 P129 F131 L134 A175	Y36-Y180 AromaticContact CE1-CE2 3.76Å; Y36-Y180 HydrophobicContact CE1-CE2 3.76Å; Y36-Y180 AromaticContact CZ-CE2 3.85Å; Y84-Y180 VanDerWaalsContact CE1-O 3.3Å; Y84-Y180 WeakPolarHBondContact CE1-O 3.42Å; Y84-Y180 WeakPolarHBondContact OH-CA 3.45Å; Y84-Y180 PolarHBondContact OH-O 3.12Å; L88-Y180 HydrophobicContact CD2-CD1 4.23Å; V124-Y180 HydrophobicContact CG2-CD1 4.16Å; V124-Y180 HydrophobicContact CG2-CE1 4.24Å; C128-Y180 HydrophobicContact CB-CD1 4.43Å; C128-Y180 HydrophobicContact CB-CE1 3.69Å; P129-Y180 WeakPolarHBondContact CD-OH 3.44Å; P129-Y180 PolarHBondContact O-OH 2.82Å; F131-Y180 AromaticContact CE1-CE2 3.94Å; F131-Y180 HydrophobicContact CE1-CE2 3.94Å; F131-Y180 HydrophobicContact CZ-CE2 4.49Å; L134-Y180 HydrophobicContact CD1-CD1 4.08Å; L134-Y180 HydrophobicContact CD1-CE1 3.61Å; L134-Y180 HydrophobicContact CD1-CE2 4.38Å; L134-Y180 HydrophobicContact CD2-CD1 4.37Å; L134-Y180 HydrophobicContact CG-CE1 4.43Å; A175-Y180 HydrophobicContact CB-CD1 3.79Å; A175-Y180 HydrophobicContact CB-CE1 4.37Å; A175-Y180 HydrophobicContact CB-CG 4.41Å
181	V	98.7	Very high	97.8	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.018	9%	0.091	C	C	.	.	S	Bend	trans	-111.6	134.9	174.7	167.5	0	0	0	0	109.1	L76 H80 I85 L88 C138 A142 A170 D183 L186	L76-V181 HydrophobicContact CD2-CG1 3.6Å; L76-V181 HydrophobicContact CD2-CG2 4.23Å; H80-V181 WeakPolarHBondContact NE2-CA 3.19Å; I85-V181 HydrophobicContact CD1-CG2 4.19Å; L88-V181 HydrophobicContact CD1-CG2 4.19Å; C138-V181 HydrophobicContact CB-CB 4.08Å; C138-V181 HydrophobicContact CB-CG2 3.77Å; A142-V181 HydrophobicContact CB-CG1 3.98Å; A170-V181 VanDerWaalsContact CB-C 3.46Å; V181-D183 PolarHBondContact O-N 3.5Å; V181-L186 HydrophobicContact CG1-CD1 3.92Å
182	N	98.8	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.094	C	C	.	.			trans	-90.6	84.6	177.8	-159	-43.9	0	0	0	109.8	F79 H80 H168 A170 I184 V185 L186	F79-N182 HydrophobicContact CD1-CB 4.26Å; F79-N182 HydrophobicContact CE1-CB 4.01Å; H80-N182 PolarHBondContact CE1-N 3.1Å; H80-N182 PolarHBondContact NE2-N 2.61Å; H168-N182 PolarHBondContact O-ND2 3.36Å; A170-N182 HydrophobicContact CB-CB 3.79Å; A170-N182 PolarHBondContact O-ND2 2.92Å; N182-I184 PolarHBondContact O-N 3.44Å; N182-I184 WeakPolarHBondContact OD1-CB 3.45Å; N182-I184 PolarHBondContact OD1-N 3.47Å; N182-V185 HydrophobicContact CB-CB 4.2Å; N182-V185 HydrophobicContact CB-CG2 4.08Å; N182-V185 VanDerWaalsContact CG-CG2 3.47Å; N182-V185 PolarHBondContact O-N 3.25Å; N182-V185 WeakPolarHBondContact OD1-CG2 3.24Å; N182-V185 PolarHBondContact OD1-N 2.93Å; N182-V185 VanDerWaalsContact OD1-N 3.12Å; N182-L186 PolarHBondContact O-N 3.28Å
183	D	98.9	Very high	97.8	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-59.4	-28.3	179.5	69.8	-71.2	0	0	0	112.8	A142 S145 G165 G166 L167 V181 A187	A142-D183 HydrophobicContact CB-CB 4.28Å; S145-D183 WeakPolarHBondContact CB-OD2 3.2Å; S145-D183 PolarHBondContact OG-OD2 3.13Å; G165-D183 WeakPolarHBondContact CA-OD2 3.44Å; G166-D183 VanDerWaalsContact N-CG 3.32Å; G166-D183 PolarHBondContact N-OD1 3.2Å; G166-D183 PolarHBondContact N-OD2 3.32Å; L167-D183 PolarHBondContact N-OD1 2.87Å; V181-D183 PolarHBondContact O-N 3.5Å; D183-A187 WeakPolarHBondContact O-CB 3.42Å; D183-A187 PolarHBondContact O-N 3.03Å
184	I	99	Very high	97.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68.5	-46.8	-179.9	-43.9	-176.8	0	0	0	110.2	H168 N182 L186 A187 I188 Y200 V211 V286 Q288 L326	H168-I184 HydrophobicContact CB-CD1 3.54Å; N182-I184 PolarHBondContact O-N 3.44Å; N182-I184 WeakPolarHBondContact OD1-CB 3.45Å; N182-I184 PolarHBondContact OD1-N 3.47Å; I184-L186 VanDerWaalsContact C-N 3.32Å; I184-L186 PolarHBondContact O-N 2.96Å; I184-A187 PolarHBondContact O-N 3.35Å; I184-I188 HydrophobicContact CG2-CD1 3.94Å; I184-I188 VanDerWaalsContact O-CG1 3.3Å; I184-I188 WeakPolarHBondContact O-CG1 3.34Å; I184-I188 PolarHBondContact O-N 3.13Å; I184-Y200 HydrophobicContact CD1-CE2 4.03Å; I184-Y200 WeakPolarHBondContact CD1-OH 3.4Å; I184-Y200 HydrophobicContact CG2-CD2 3.79Å; I184-Y200 HydrophobicContact CG2-CE2 3.47Å; I184-Y200 VanDerWaalsContact CG2-CE2 3.47Å; I184-V211 HydrophobicContact CB-CG2 3.86Å; I184-V211 HydrophobicContact CD1-CG2 3.82Å; I184-V211 HydrophobicContact CG1-CG2 4.36Å; I184-V211 HydrophobicContact CG2-CG1 4.28Å; I184-V211 HydrophobicContact CG2-CG2 3.91Å; I184-V286 HydrophobicContact CG2-CG1 3.95Å; I184-Q288 HydrophobicContact CD1-CB 4.35Å; I184-Q288 HydrophobicContact CD1-CG 3.96Å; I184-L326 HydrophobicContact CB-CD1 4.23Å; I184-L326 HydrophobicContact CD1-CD1 4.48Å; I184-L326 HydrophobicContact CG1-CD1 3.77Å; I184-L326 HydrophobicContact CG2-CD1 4.14Å
185	V	98.9	Very high	98.1	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-61.6	-44.4	178.1	173.9	0	0	0	0	110.2	F79 N182 A187 I188 L189 V211 A214 F215	F79-V185 HydrophobicContact CB-CG1 3.87Å; F79-V185 HydrophobicContact CD1-CB 4.12Å; F79-V185 HydrophobicContact CD1-CG1 3.86Å; F79-V185 HydrophobicContact CD2-CG1 3.54Å; F79-V185 HydrophobicContact CE1-CB 4.39Å; F79-V185 HydrophobicContact CE1-CG1 4.28Å; F79-V185 HydrophobicContact CE1-CG2 4.37Å; F79-V185 HydrophobicContact CE2-CG1 3.98Å; F79-V185 HydrophobicContact CG-CB 4.22Å; F79-V185 HydrophobicContact CG-CG1 3.46Å; F79-V185 VanDerWaalsContact CG-CG1 3.46Å; F79-V185 HydrophobicContact CZ-CG1 4.33Å; F79-V185 HydrophobicContact CZ-CG2 4.45Å; N182-V185 HydrophobicContact CB-CB 4.2Å; N182-V185 HydrophobicContact CB-CG2 4.08Å; N182-V185 VanDerWaalsContact CG-CG2 3.47Å; N182-V185 PolarHBondContact O-N 3.25Å; N182-V185 WeakPolarHBondContact OD1-CG2 3.24Å; N182-V185 PolarHBondContact OD1-N 2.93Å; N182-V185 VanDerWaalsContact OD1-N 3.12Å; V185-A187 PolarHBondContact O-N 3.34Å; V185-I188 PolarHBondContact O-N 3.31Å; V185-L189 HydrophobicContact CG1-CD1 4.19Å; V185-L189 HydrophobicContact CG1-CG 4.43Å; V185-L189 VanDerWaalsContact O-CG 3.31Å; V185-L189 WeakPolarHBondContact O-CG 3.35Å; V185-L189 PolarHBondContact O-N 2.82Å; V185-V211 HydrophobicContact CG2-CG2 4.42Å; V185-A214 HydrophobicContact CB-CB 4.44Å; V185-A214 HydrophobicContact CG1-CB 3.95Å; V185-A214 HydrophobicContact CG2-CB 3.54Å; V185-F215 HydrophobicContact CB-CE2 4.35Å; V185-F215 HydrophobicContact CB-CZ 4.46Å; V185-F215 HydrophobicContact CG1-CE2 4.16Å; V185-F215 HydrophobicContact CG1-CZ 3.88Å; V185-F215 HydrophobicContact CG2-CE2 4.03Å
186	L	98.9	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-44	176.7	-63	174.7	0	0	0	112	E75 L76 Q78 F79 A142 I146 V181 N182 I184 I188 L189 E190	E75-L186 WeakPolarHBondContact O-CD2 3.29Å; L76-L186 HydrophobicContact CD2-CD1 3.82Å; Q78-L186 HydrophobicContact CB-CD2 4.29Å; F79-L186 HydrophobicContact CB-CD2 3.79Å; A142-L186 HydrophobicContact CB-CD1 4.12Å; I146-L186 HydrophobicContact CD1-CB 4.12Å; I146-L186 HydrophobicContact CD1-CD1 4.26Å; I146-L186 HydrophobicContact CG1-CB 3.99Å; V181-L186 HydrophobicContact CG1-CD1 3.92Å; N182-L186 PolarHBondContact O-N 3.28Å; I184-L186 VanDerWaalsContact C-N 3.32Å; I184-L186 PolarHBondContact O-N 2.96Å; L186-I188 PolarHBondContact O-N 2.7Å; L186-L189 PolarHBondContact O-N 3.14Å; L186-E190 PolarHBondContact O-N 3.18Å
187	A	98.9	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.6	-39.1	175.8	0	0	0	0	0	112.9	A149 D183 I184 V185 E190 L191 L324	A149-A187 HydrophobicContact CB-CB 4.11Å; A149-A187 WeakPolarHBondContact CB-O 3.45Å; D183-A187 WeakPolarHBondContact O-CB 3.42Å; D183-A187 PolarHBondContact O-N 3.03Å; I184-A187 PolarHBondContact O-N 3.35Å; V185-A187 PolarHBondContact O-N 3.34Å; A187-E190 PolarHBondContact O-N 3.47Å; A187-L191 WeakPolarHBondContact O-CG 3.5Å; A187-L191 PolarHBondContact O-N 2.87Å; A187-L324 HydrophobicContact CB-CD2 3.74Å
188	I	98.9	Very high	98.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.6	-41.1	175.5	-69.3	168.1	0	0	0	110.5	I184 V185 L186 E190 L191 L192 V198 Y200 V211 F215 V221 V286	I184-I188 HydrophobicContact CG2-CD1 3.94Å; I184-I188 VanDerWaalsContact O-CG1 3.3Å; I184-I188 WeakPolarHBondContact O-CG1 3.34Å; I184-I188 PolarHBondContact O-N 3.13Å; V185-I188 PolarHBondContact O-N 3.31Å; L186-I188 PolarHBondContact O-N 2.7Å; I188-E190 VanDerWaalsContact C-N 3.32Å; I188-E190 PolarHBondContact O-N 3.06Å; I188-L191 PolarHBondContact O-N 3.19Å; I188-L192 HydrophobicContact CG2-CD1 3.91Å; I188-L192 HydrophobicContact CG2-CG 4.17Å; I188-L192 WeakPolarHBondContact O-CB 3.47Å; I188-L192 WeakPolarHBondContact O-CG 3.41Å; I188-L192 PolarHBondContact O-N 3.22Å; I188-V198 HydrophobicContact CG1-CG1 4.17Å; I188-V198 HydrophobicContact CG2-CB 4.31Å; I188-V198 HydrophobicContact CG2-CG1 4.16Å; I188-Y200 HydrophobicContact CD1-CD2 4.33Å; I188-Y200 HydrophobicContact CD1-CG 4.36Å; I188-V211 HydrophobicContact CD1-CG1 3.91Å; I188-F215 HydrophobicContact CB-CE2 3.9Å; I188-F215 HydrophobicContact CB-CZ 3.71Å; I188-F215 HydrophobicContact CD1-CD2 4.39Å; I188-F215 HydrophobicContact CD1-CE2 3.73Å; I188-F215 HydrophobicContact CD1-CZ 4.44Å; I188-F215 HydrophobicContact CG1-CE2 4.42Å; I188-F215 HydrophobicContact CG2-CE1 3.95Å; I188-F215 HydrophobicContact CG2-CE2 3.7Å; I188-F215 HydrophobicContact CG2-CZ 3.36Å; I188-V221 HydrophobicContact CD1-CG1 4.5Å; I188-V221 HydrophobicContact CG2-CG1 4.26Å; I188-V221 HydrophobicContact CG2-CG2 3.64Å; I188-V286 HydrophobicContact CG1-CB 4.42Å; I188-V286 HydrophobicContact CG1-CG2 3.83Å
189	L	98.7	Very high	98.2	Very high	50 Å²	50	17.1 Å²	17.1	26%	0.262	9%	0.088	S	C	.	.	H	α-helix	trans	-58.8	-43.8	174.6	-72	173.2	0	0	0	111.4	F79 V185 L186 L192 F215	F79-L189 HydrophobicContact CB-CD1 4.1Å; V185-L189 HydrophobicContact CG1-CD1 4.19Å; V185-L189 HydrophobicContact CG1-CG 4.43Å; V185-L189 VanDerWaalsContact O-CG 3.31Å; V185-L189 WeakPolarHBondContact O-CG 3.35Å; V185-L189 PolarHBondContact O-N 2.82Å; L186-L189 PolarHBondContact O-N 3.14Å; L189-L192 PolarHBondContact O-N 3.19Å; L189-F215 HydrophobicContact CD2-CE1 4.27Å
190	E	98.6	Very high	98.3	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-60.5	-49.4	173.2	-175.4	59.9	-153.8	0	0	110.9	A149 D150 N153 L186 A187 I188 L192 I193 S415 L416	A149-E190 HydrophobicContact CB-CB 3.88Å; A149-E190 HydrophobicContact CB-CG 3.89Å; D150-E190 HydrophobicContact CB-CG 4.23Å; N153-E190 PolarHBondContact ND2-O 2.86Å; L186-E190 PolarHBondContact O-N 3.18Å; A187-E190 PolarHBondContact O-N 3.47Å; I188-E190 VanDerWaalsContact C-N 3.32Å; I188-E190 PolarHBondContact O-N 3.06Å; E190-L192 VanDerWaalsContact C-N 3.26Å; E190-L192 PolarHBondContact O-N 3Å; E190-I193 VanDerWaalsContact O-CB 3.27Å; E190-I193 WeakPolarHBondContact O-CB 3.31Å; E190-I193 WeakPolarHBondContact O-CG1 3.25Å; E190-I193 PolarHBondContact O-N 3.4Å; E190-I193 WeakPolarHBondContact OE2-CD1 3.36Å; E190-S415 WeakPolarHBondContact OE1-CB 3.44Å; E190-S415 PolarHBondContact OE1-OG 2.55Å; E190-L416 HydrophobicContact CB-CD1 4.09Å; E190-L416 VanDerWaalsContact OE2-CB 3.23Å; E190-L416 WeakPolarHBondContact OE2-CB 3.48Å; E190-L416 WeakPolarHBondContact OE2-CG 3.48Å; E190-L416 PolarHBondContact OE2-N 2.98Å
191	L	98.7	Very high	98.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58	-37.5	178.2	-73.1	171.2	0	0	0	112.7	A149 L152 N153 A187 I188 I193 T194 H195 V198 A284 V286	A149-L191 HydrophobicContact CB-CD2 4.13Å; A149-L191 HydrophobicContact CB-CG 3.86Å; L152-L191 HydrophobicContact CB-CD2 3.98Å; L152-L191 HydrophobicContact CD1-CD2 4.18Å; N153-L191 WeakPolarHBondContact OD1-CA 3.31Å; N153-L191 PolarHBondContact OD1-O 2.97Å; A187-L191 WeakPolarHBondContact O-CG 3.5Å; A187-L191 PolarHBondContact O-N 2.87Å; I188-L191 PolarHBondContact O-N 3.19Å; L191-I193 PolarHBondContact O-N 3.2Å; L191-I193 VanDerWaalsContact O-N 3.08Å; L191-T194 PolarHBondContact O-N 3.1Å; L191-T194 VanDerWaalsContact O-N 3.13Å; L191-H195 VanDerWaalsContact O-CB 3.3Å; L191-H195 WeakPolarHBondContact O-CB 3.44Å; L191-H195 PolarHBondContact O-CD2 3.04Å; L191-H195 VanDerWaalsContact O-CD2 3.32Å; L191-H195 PolarHBondContact O-N 3.11Å; L191-V198 HydrophobicContact CB-CG2 3.79Å; L191-V198 HydrophobicContact CD1-CG1 4Å; L191-A284 HydrophobicContact CD1-CB 4.24Å; L191-A284 HydrophobicContact CD2-CB 4.17Å; L191-V286 HydrophobicContact CD1-CG2 3.41Å; L191-V286 VanDerWaalsContact CD1-CG2 3.41Å
192	L	98.2	Very high	98.3	Very high	21 Å²	21	16.7 Å²	16.7	11%	0.11	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.4	179.5	-73.4	170.6	0	0	0	113.7	I188 L189 E190 V198 F215 R220 V221	I188-L192 HydrophobicContact CG2-CD1 3.91Å; I188-L192 HydrophobicContact CG2-CG 4.17Å; I188-L192 WeakPolarHBondContact O-CB 3.47Å; I188-L192 WeakPolarHBondContact O-CG 3.41Å; I188-L192 PolarHBondContact O-N 3.22Å; L189-L192 PolarHBondContact O-N 3.19Å; E190-L192 VanDerWaalsContact C-N 3.26Å; E190-L192 PolarHBondContact O-N 3Å; L192-V198 HydrophobicContact CD2-CB 4.38Å; L192-V198 HydrophobicContact CD2-CG2 3.79Å; L192-V198 HydrophobicContact CG-CG2 4.08Å; L192-F215 HydrophobicContact CD1-CE1 4.21Å; L192-R220 HydrophobicContact CD2-CB 3.89Å; L192-R220 PolarHBondContact O-NH2 3.23Å; L192-V221 HydrophobicContact CD1-CG2 3.77Å; L192-V221 HydrophobicContact CD2-CG2 4.1Å; L192-V221 HydrophobicContact CG-CG2 4.34Å
193	I	97.1	Very high	98.3	Very high	43 Å²	43	16.7 Å²	16.7	22%	0.221	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-39.1	171.6	-61.4	176.8	0	0	0	110.7	E190 L191 S415	E190-I193 VanDerWaalsContact O-CB 3.27Å; E190-I193 WeakPolarHBondContact O-CB 3.31Å; E190-I193 WeakPolarHBondContact O-CG1 3.25Å; E190-I193 PolarHBondContact O-N 3.4Å; E190-I193 WeakPolarHBondContact OE2-CD1 3.36Å; L191-I193 PolarHBondContact O-N 3.2Å; L191-I193 VanDerWaalsContact O-N 3.08Å; I193-S415 VanDerWaalsContact CD1-CA 3.43Å
194	T	96.4	Very high	98.3	Very high	81 Å²	81	16.7 Å²	16.7	50%	0.497	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-33	-178	-53.8	0	0	0	0	112.4	N153 L191	N153-T194 WeakPolarHBondContact CB-OG1 3.36Å; N153-T194 WeakPolarHBondContact OD1-CB 3.28Å; N153-T194 PolarHBondContact OD1-OG1 2.9Å; L191-T194 PolarHBondContact O-N 3.1Å; L191-T194 VanDerWaalsContact O-N 3.13Å
195	H	96.4	Very high	98.3	Very high	22 Å²	22	16.7 Å²	16.7	10%	0.102	9%	0.085	C	C	.	.			trans	-99.5	125.2	-172.6	-62.4	-67.7	0	0	0	111.5	N153 L191 R197 V198 R220 N283 A284	N153-H195 PolarHBondContact OD1-CD2 3.12Å; N153-H195 VanDerWaalsContact OD1-CD2 3.24Å; L191-H195 VanDerWaalsContact O-CB 3.3Å; L191-H195 WeakPolarHBondContact O-CB 3.44Å; L191-H195 PolarHBondContact O-CD2 3.04Å; L191-H195 VanDerWaalsContact O-CD2 3.32Å; L191-H195 PolarHBondContact O-N 3.11Å; H195-R197 VanDerWaalsContact C-N 3.3Å; H195-R197 PolarHBondContact O-N 2.84Å; H195-V198 HydrophobicContact CB-CG2 3.96Å; H195-R220 PolarHBondContact O-NH2 3.15Å; H195-N283 HydrophobicContact CB-CB 3.96Å; H195-N283 WeakPolarHBondContact ND1-CB 3.22Å; H195-A284 HydrophobicContact CB-CB 4.42Å
196	E	96.2	Very high	98.3	Very high	102 Å²	102	17.2 Å²	17.2	48%	0.477	9%	0.088	S	C	.	.	S	Bend	trans	-65	-39	177.4	-65.7	177.3	168.8	0	0	111.6	R220 N283 V407	E196-R220 PolarHBondContact O-NE 2.96Å; E196-R220 VanDerWaalsContact O-NE 3.14Å; E196-N283 PolarHBondContact N-OD1 3.34Å; E196-V407 HydrophobicContact CB-CG2 4.45Å
197	R	97.6	Very high	98.3	Very high	26 Å²	26	17.4 Å²	17.4	10%	0.098	9%	0.088	C	C	.	.			trans	-132	119.4	-174.2	-68.9	178.3	-55	-65.2	-13.1	110.9	H195 R220 F280 K281 N283	H195-R197 VanDerWaalsContact C-N 3.3Å; H195-R197 PolarHBondContact O-N 2.84Å; R197-R220 WeakPolarHBondContact CA-O 3.41Å; R197-F280 HydrophobicContact CB-CD1 4.47Å; R197-F280 HydrophobicContact CB-CE1 3.75Å; R197-F280 HydrophobicContact CB-CE2 4.29Å; R197-F280 HydrophobicContact CB-CZ 3.64Å; R197-F280 WeakPolarHBondContact CD-O 3.16Å; R197-F280 HydrophobicContact CG-CE2 4.17Å; R197-F280 HydrophobicContact CG-CZ 3.99Å; R197-F280 PolarHBondContact NE-O 3.06Å; R197-K281 PolarHBondContact NE-O 2.9Å; R197-K281 PolarHBondContact NH2-O 3.34Å; R197-N283 PolarHBondContact N-OD1 3.49Å; R197-N283 PolarHBondContact O-N 3.17Å
198	V	98.7	Very high	98.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128	176.4	-178.7	0	0	0	0	108.7	I188 L191 L192 H195 R220 V221 L222 F280 A284 V286	I188-V198 HydrophobicContact CG1-CG1 4.17Å; I188-V198 HydrophobicContact CG2-CB 4.31Å; I188-V198 HydrophobicContact CG2-CG1 4.16Å; L191-V198 HydrophobicContact CB-CG2 3.79Å; L191-V198 HydrophobicContact CD1-CG1 4Å; L192-V198 HydrophobicContact CD2-CB 4.38Å; L192-V198 HydrophobicContact CD2-CG2 3.79Å; L192-V198 HydrophobicContact CG-CG2 4.08Å; H195-V198 HydrophobicContact CB-CG2 3.96Å; V198-R220 PolarHBondContact N-O 2.78Å; V198-V221 VanDerWaalsContact O-CA 3.25Å; V198-V221 WeakPolarHBondContact O-CA 3.26Å; V198-L222 PolarHBondContact O-N 3.33Å; V198-L222 VanDerWaalsContact O-N 3.12Å; V198-F280 WeakPolarHBondContact O-CE1 3.4Å; V198-A284 WeakPolarHBondContact CA-O 3.46Å; V198-V286 HydrophobicContact CG1-CG2 4.14Å
199	M	98.9	Very high	98.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.4	175.5	178.7	-178.1	-173.2	0	0	109.4	I201 L222 V224 V273 A276 I277 F280 P282 A284 I285 V286	M199-I201 HydrophobicContact CE-CD1 4Å; M199-I201 HydrophobicContact CE-CG1 3.88Å; M199-I201 HydrophobicContact CG-CG1 4.15Å; M199-I201 HydrophobicContact SD-CD1 4.26Å; M199-I201 HydrophobicContact SD-CG1 4.32Å; M199-L222 WeakPolarHBondContact CA-O 3.46Å; M199-L222 HydrophobicContact CE-CD2 4.24Å; M199-L222 HydrophobicContact CG-CD2 4.32Å; M199-L222 HydrophobicContact SD-CD2 4.48Å; M199-V224 HydrophobicContact CE-CB 4.3Å; M199-V224 HydrophobicContact CE-CG2 3.45Å; M199-V224 VanDerWaalsContact CE-CG2 3.45Å; M199-V273 HydrophobicContact CE-CG1 4.35Å; M199-A276 HydrophobicContact CE-CB 3.5Å; M199-I277 HydrophobicContact CE-CG1 4.23Å; M199-I277 HydrophobicContact SD-CG1 3.65Å; M199-F280 HydrophobicContact CB-CD1 4.06Å; M199-F280 HydrophobicContact CB-CE1 4.08Å; M199-P282 HydrophobicContact CB-CB 3.6Å; M199-P282 HydrophobicContact CB-CG 3.8Å; M199-P282 HydrophobicContact SD-CG 4.01Å; M199-A284 PolarHBondContact N-O 3.29Å; M199-I285 HydrophobicContact CB-CG1 4.3Å; M199-I285 CarbonylContact O-C 3.56Å; M199-I285 VanDerWaalsContact O-CA 3.26Å; M199-I285 WeakPolarHBondContact O-CA 3.13Å; M199-V286 PolarHBondContact O-N 2.86Å
200	Y	99	Very high	98.3	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.008	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125	173.4	174.9	-116	0	0	0	109.6	I184 I188 D202 V211 L222 T223 V224 V286 Q288	I184-Y200 HydrophobicContact CD1-CE2 4.03Å; I184-Y200 WeakPolarHBondContact CD1-OH 3.4Å; I184-Y200 HydrophobicContact CG2-CD2 3.79Å; I184-Y200 HydrophobicContact CG2-CE2 3.47Å; I184-Y200 VanDerWaalsContact CG2-CE2 3.47Å; I188-Y200 HydrophobicContact CD1-CD2 4.33Å; I188-Y200 HydrophobicContact CD1-CG 4.36Å; Y200-D202 HydrophobicContact CE1-CB 3.67Å; Y200-D202 VanDerWaalsContact OH-CG 3.29Å; Y200-D202 PolarHBondContact OH-OD2 3.31Å; Y200-V211 HydrophobicContact CD1-CB 4.03Å; Y200-V211 HydrophobicContact CD1-CG1 3.54Å; Y200-V211 HydrophobicContact CD2-CG1 4.31Å; Y200-V211 HydrophobicContact CE1-CB 3.72Å; Y200-V211 HydrophobicContact CE1-CG1 3.74Å; Y200-V211 HydrophobicContact CE1-CG2 3.97Å; Y200-V211 HydrophobicContact CE2-CG1 4.47Å; Y200-V211 HydrophobicContact CE2-CG2 4.49Å; Y200-V211 HydrophobicContact CG-CG1 3.85Å; Y200-L222 PolarHBondContact N-O 3.39Å; Y200-T223 HydrophobicContact CD1-CG2 4.04Å; Y200-V224 PolarHBondContact O-N 2.61Å; Y200-V286 CarbonylContact C-O 3.51Å; Y200-V286 WeakPolarHBondContact CA-O 3.37Å; Y200-V286 HydrophobicContact CD2-CB 4.15Å; Y200-V286 HydrophobicContact CD2-CG1 4.12Å; Y200-V286 HydrophobicContact CE2-CG1 4.45Å; Y200-Q288 HydrophobicContact CE2-CB 3.8Å; Y200-Q288 VanDerWaalsContact OH-CB 3.29Å; Y200-Q288 WeakPolarHBondContact OH-CB 3.38Å
201	I	99	Very high	98.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128	176.4	-57.8	174.1	0	0	0	108.2	M199 I203 V224 F269 V273 I285 V286 M287 Q288 V316	M199-I201 HydrophobicContact CE-CD1 4Å; M199-I201 HydrophobicContact CE-CG1 3.88Å; M199-I201 HydrophobicContact CG-CG1 4.15Å; M199-I201 HydrophobicContact SD-CD1 4.26Å; M199-I201 HydrophobicContact SD-CG1 4.32Å; I201-I203 HydrophobicContact CG2-CG2 4.41Å; I201-V224 CarbonylContact C-O 3.49Å; I201-V224 WeakPolarHBondContact CA-O 3.25Å; I201-F269 HydrophobicContact CG2-CE2 4Å; I201-F269 HydrophobicContact CG2-CZ 4.35Å; I201-V273 HydrophobicContact CD1-CG1 3.78Å; I201-I285 HydrophobicContact CD1-CG2 3.9Å; I201-I285 HydrophobicContact CG1-CG2 4.28Å; I201-V286 PolarHBondContact N-O 2.89Å; I201-M287 HydrophobicContact CB-CG 4.31Å; I201-M287 HydrophobicContact CG2-CG 4.44Å; I201-M287 CarbonylContact O-C 3.55Å; I201-M287 VanDerWaalsContact O-CA 3.29Å; I201-M287 WeakPolarHBondContact O-CA 3.4Å; I201-Q288 PolarHBondContact O-N 3.11Å; I201-V316 HydrophobicContact CD1-CG1 4.37Å; I201-V316 HydrophobicContact CD1-CG2 3.76Å
202	D	99	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.2	-176.5	-163.9	-37.1	0	0	0	110.4	H168 Y200 D204 G208 V224 F226 Q288	H168-D202 IonicContact CE1-OD1 2.78Å; H168-D202 IonicContact CE1-OD2 3.53Å; H168-D202 IonicContact CG-OD2 2.72Å; H168-D202 IonicContact ND1-OD1 3.71Å; H168-D202 IonicContact ND1-OD2 3.76Å; H168-D202 PolarHBondContact ND1-OD2 2.9Å; Y200-D202 HydrophobicContact CE1-CB 3.67Å; Y200-D202 VanDerWaalsContact OH-CG 3.29Å; Y200-D202 PolarHBondContact OH-OD2 3.31Å; D202-D204 WeakPolarHBondContact OD1-CB 3.17Å; D202-D204 PolarHBondContact OD1-N 3.34Å; D202-G208 VanDerWaalsContact OD2-CA 3.24Å; D202-G208 WeakPolarHBondContact OD2-CA 3.43Å; D202-V224 PolarHBondContact N-O 3Å; D202-F226 PolarHBondContact O-N 3.3Å; D202-Q288 PolarHBondContact OD1-OE1 2.99Å
203	I	98.9	Very high	98.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.098	C	C	.	.			trans	-114.6	14.1	178	61.9	168.6	0	0	0	113.1	I201 F226 F269 M287 Q288 S293 H309 C312	I201-I203 HydrophobicContact CG2-CG2 4.41Å; I203-F226 HydrophobicContact CG2-CD2 4.49Å; I203-F269 HydrophobicContact CG2-CD2 4.18Å; I203-F269 HydrophobicContact CG2-CE2 3.64Å; I203-M287 HydrophobicContact CD1-CE 3.51Å; I203-M287 HydrophobicContact CG1-CE 4.1Å; I203-M287 HydrophobicContact CG2-CE 4.24Å; I203-Q288 VanDerWaalsContact CG1-O 3.24Å; I203-Q288 WeakPolarHBondContact CG1-O 3.41Å; I203-Q288 PolarHBondContact N-O 2.84Å; I203-S293 WeakPolarHBondContact O-CB 3.45Å; I203-S293 PolarHBondContact O-OG 3.22Å; I203-S293 VanDerWaalsContact O-OG 3.07Å; I203-H309 WeakPolarHBondContact CD1-CE1 3.36Å; I203-H309 WeakPolarHBondContact CD1-NE2 3.28Å; I203-C312 HydrophobicContact CD1-CB 4.04Å; I203-C312 HydrophobicContact CG2-CB 4.49Å
204	D	98.9	Very high	98.4	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.1	C	C	.	.	S	Bend	trans	-59.1	153.2	166.4	-158.3	-80.6	0	0	0	110.9	H168 D202 H206 F226 Q288 G290 D292 G329	H168-D204 VanDerWaalsContact CE1-CB 3.41Å; H168-D204 WeakPolarHBondContact CE1-CB 3.33Å; H168-D204 VanDerWaalsContact CE1-CG 3.42Å; H168-D204 IonicContact CE1-OD1 3.59Å; H168-D204 IonicContact CE1-OD2 2.9Å; H168-D204 IonicContact NE2-OD1 3.74Å; H168-D204 IonicContact NE2-OD2 2.99Å; D202-D204 WeakPolarHBondContact OD1-CB 3.17Å; D202-D204 PolarHBondContact OD1-N 3.34Å; D204-H206 PolarHBondContact O-N 3.48Å; D204-H206 WeakPolarHBondContact OD1-CB 3.22Å; D204-H206 IonicContact OD1-CG 3.3Å; D204-H206 PolarHBondContact OD1-N 2.99Å; D204-H206 IonicContact OD1-ND1 3.35Å; D204-H206 PolarHBondContact OD1-ND1 3.27Å; D204-F226 VanDerWaalsContact O-O 3.07Å; D204-Q288 PolarHBondContact OD2-NE2 3.31Å; D204-G290 WeakPolarHBondContact OD2-CA 3.46Å; D204-D292 VanDerWaalsContact CG-OD1 3.3Å; D204-D292 VanDerWaalsContact OD1-OD1 3.11Å; D204-G329 WeakPolarHBondContact OD2-CA 3.21Å; D204-G329 PolarHBondContact OD2-N 2.65Å
205	C	98.6	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-66.7	-23.4	174.8	-168.7	0	0	0	0	112.2	H227 K228 D292	C205-H227 WeakPolarHBondContact O-CA 3.33Å; C205-H227 WeakPolarHBondContact O-CB 3.43Å; C205-K228 PolarHBondContact O-N 2.9Å; C205-D292 HydrophobicContact CB-CB 4.43Å; C205-D292 WeakPolarHBondContact CB-OD1 3.47Å; C205-D292 PolarHBondContact N-OD1 3.33Å
206	H	98.8	Very high	98.6	Very high	12 Å²	12	17.5 Å²	17.5	6%	0.056	9%	0.085	C	C	.	.	S	Bend	trans	-96.8	153	179.7	-50.8	84.7	0	0	0	111.3	H169 D204 G208 H227 F232 F233 D292	H169-H206 AromaticContact NE2-CG 3.95Å; D204-H206 PolarHBondContact O-N 3.48Å; D204-H206 WeakPolarHBondContact OD1-CB 3.22Å; D204-H206 IonicContact OD1-CG 3.3Å; D204-H206 PolarHBondContact OD1-N 2.99Å; D204-H206 IonicContact OD1-ND1 3.35Å; D204-H206 PolarHBondContact OD1-ND1 3.27Å; H206-G208 PolarHBondContact O-N 2.58Å; H206-H227 VanDerWaalsContact C-CB 3.45Å; H206-F232 AromaticContact CD2-CD1 3.95Å; H206-F232 AromaticContact CD2-CE1 3.28Å; H206-F232 WeakPolarHBondContact CD2-CE1 3.45Å; H206-F232 AromaticContact CD2-CZ 3.94Å; H206-F232 AromaticContact NE2-CE1 3.39Å; H206-F232 WeakPolarHBondContact NE2-CE1 3.28Å; H206-F232 AromaticContact NE2-CZ 3.55Å; H206-F233 PolarHBondContact CD2-O 3.28Å; H206-D292 IonicContact CE1-OD2 3Å; H206-D292 PolarHBondContact CE1-OD2 3.34Å; H206-D292 IonicContact ND1-OD2 3.42Å; H206-D292 PolarHBondContact ND1-OD2 2.82Å
207	H	98.9	Very high	98.7	Very high	3 Å²	3	16.1 Å²	16.1	1%	0.014	8%	0.083	C	C	.	.			trans	-67.1	131.5	175.5	174.5	-129.1	0	0	0	110.5	H169 D209 E212 H227 P234 T236 G237 N253	H169-H207 PolarHBondContact CE1-O 3.34Å; H207-D209 WeakPolarHBondContact ND1-CB 3.34Å; H207-D209 PolarHBondContact O-N 3.36Å; H207-E212 IonicContact CE1-OE1 3.92Å; H207-E212 PolarHBondContact CE1-OE1 2.92Å; H207-E212 VanDerWaalsContact CE1-OE1 3.31Å; H207-E212 IonicContact CE1-OE2 3.87Å; H207-E212 IonicContact NE2-OE1 2.71Å; H207-E212 IonicContact NE2-OE2 3.67Å; H207-E212 PolarHBondContact NE2-OE2 3Å; H207-H227 HydrophobicContact CB-CB 4.27Å; H207-H227 AromaticContact CD2-CE1 3.47Å; H207-H227 PolarHBondContact CD2-CE1 3.38Å; H207-H227 VanDerWaalsContact CD2-CE1 3.47Å; H207-H227 AromaticContact CD2-ND1 3.56Å; H207-H227 AromaticContact CG-CE1 3.91Å; H207-H227 AromaticContact CG-ND1 3.97Å; H207-P234 HydrophobicContact CB-CG 3.97Å; H207-T236 PolarHBondContact ND1-OG1 3.21Å; H207-G237 PolarHBondContact CE1-N 3.01Å; H207-G237 WeakPolarHBondContact ND1-CA 3.17Å; H207-G237 PolarHBondContact ND1-N 3.45Å; H207-N253 PolarHBondContact CD2-OD1 3.04Å; H207-N253 VanDerWaalsContact CD2-OD1 3.28Å; H207-N253 PolarHBondContact NE2-OD1 3.4Å
208	G	98.8	Very high	98.7	Very high	2 Å²	2	16.6 Å²	16.6	2%	0.021	9%	0.089	C	C	.	.			trans	-72.6	55.6	176.9	0	0	0	0	0	114.1	H168 D202 H206 G210 V211 E212	H168-G208 WeakPolarHBondContact ND1-CA 3.28Å; D202-G208 VanDerWaalsContact OD2-CA 3.24Å; D202-G208 WeakPolarHBondContact OD2-CA 3.43Å; H206-G208 PolarHBondContact O-N 2.58Å; G208-G210 PolarHBondContact O-N 3.07Å; G208-V211 PolarHBondContact O-N 3.4Å; G208-E212 PolarHBondContact O-N 3.24Å
209	D	98.8	Very high	98.6	Very high	13 Å²	13	18.3 Å²	18.3	7%	0.07	10%	0.099	C	C	.	.	H	α-helix	trans	-68.6	-32.3	-166	72.3	-41.3	0	0	0	114.4	H169 K171 H207 E213 P234 T236	H169-D209 IonicContact CE1-OD1 3.21Å; H169-D209 IonicContact CG-OD1 3.64Å; H169-D209 IonicContact ND1-OD1 2.76Å; H169-D209 PolarHBondContact ND1-OD1 3.19Å; K171-D209 WeakPolarHBondContact CE-OD2 3.44Å; K171-D209 VanDerWaalsContact NZ-CG 3.28Å; K171-D209 PolarHBondContact NZ-O 3.04Å; K171-D209 IonicContact NZ-OD1 3.82Å; K171-D209 IonicContact NZ-OD2 3.72Å; K171-D209 PolarHBondContact NZ-OD2 3.32Å; H207-D209 WeakPolarHBondContact ND1-CB 3.34Å; H207-D209 PolarHBondContact O-N 3.36Å; D209-E213 WeakPolarHBondContact O-CB 3.3Å; D209-E213 PolarHBondContact O-N 3.12Å; D209-P234 HydrophobicContact CB-CG 3.82Å; D209-T236 WeakPolarHBondContact CB-OG1 3.24Å
210	G	98.8	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68.2	-39.3	176	0	0	0	0	0	112.4	H168 G208 A214	H168-G210 WeakPolarHBondContact O-CA 3.39Å; H168-G210 PolarHBondContact O-N 2.76Å; G208-G210 PolarHBondContact O-N 3.07Å; G210-A214 WeakPolarHBondContact O-CB 3.49Å; G210-A214 PolarHBondContact O-N 3.49Å; G210-A214 VanDerWaalsContact O-N 3.12Å
211	V	98.9	Very high	98.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-71.8	-43.3	176.1	-171.8	0	0	0	0	110.8	H168 I184 V185 I188 Y200 G208 A214 F215 T223	H168-V211 HydrophobicContact CB-CG2 3.98Å; H168-V211 PolarHBondContact O-N 3.04Å; I184-V211 HydrophobicContact CB-CG2 3.86Å; I184-V211 HydrophobicContact CD1-CG2 3.82Å; I184-V211 HydrophobicContact CG1-CG2 4.36Å; I184-V211 HydrophobicContact CG2-CG1 4.28Å; I184-V211 HydrophobicContact CG2-CG2 3.91Å; V185-V211 HydrophobicContact CG2-CG2 4.42Å; I188-V211 HydrophobicContact CD1-CG1 3.91Å; Y200-V211 HydrophobicContact CD1-CB 4.03Å; Y200-V211 HydrophobicContact CD1-CG1 3.54Å; Y200-V211 HydrophobicContact CD2-CG1 4.31Å; Y200-V211 HydrophobicContact CE1-CB 3.72Å; Y200-V211 HydrophobicContact CE1-CG1 3.74Å; Y200-V211 HydrophobicContact CE1-CG2 3.97Å; Y200-V211 HydrophobicContact CE2-CG1 4.47Å; Y200-V211 HydrophobicContact CE2-CG2 4.49Å; Y200-V211 HydrophobicContact CG-CG1 3.85Å; G208-V211 PolarHBondContact O-N 3.4Å; V211-A214 PolarHBondContact O-N 2.99Å; V211-F215 HydrophobicContact CG1-CD2 4.02Å; V211-F215 HydrophobicContact CG1-CE2 4.14Å; V211-F215 VanDerWaalsContact O-CD2 3.31Å; V211-F215 WeakPolarHBondContact O-CD2 3.08Å; V211-F215 PolarHBondContact O-N 3.26Å; V211-T223 HydrophobicContact CG1-CG2 4.29Å
212	E	98.9	Very high	98.5	Very high	11 Å²	11	21.2 Å²	21.2	5%	0.051	11%	0.11	C	C	.	.	H	α-helix	trans	-58.9	-47.8	175.2	177.9	165.9	112	0	0	111.7	H207 G208 A214 F215 Y216 A251 N253	H207-E212 IonicContact CE1-OE1 3.92Å; H207-E212 PolarHBondContact CE1-OE1 2.92Å; H207-E212 VanDerWaalsContact CE1-OE1 3.31Å; H207-E212 IonicContact CE1-OE2 3.87Å; H207-E212 IonicContact NE2-OE1 2.71Å; H207-E212 IonicContact NE2-OE2 3.67Å; H207-E212 PolarHBondContact NE2-OE2 3Å; G208-E212 PolarHBondContact O-N 3.24Å; E212-A214 PolarHBondContact O-N 3.16Å; E212-F215 CarbonylContact O-C 3.54Å; E212-F215 PolarHBondContact O-N 2.87Å; E212-Y216 HydrophobicContact CG-CD2 3.55Å; E212-Y216 HydrophobicContact CG-CE2 3.77Å; E212-Y216 WeakPolarHBondContact O-CA 3.45Å; E212-Y216 WeakPolarHBondContact O-CB 3.44Å; E212-Y216 PolarHBondContact O-N 2.94Å; E212-A251 HydrophobicContact CG-CB 4.18Å; E212-N253 PolarHBondContact OE1-ND2 2.88Å; E212-N253 PolarHBondContact OE2-ND2 3.04Å; E212-N253 PolarHBondContact OE2-OD1 2.97Å
213	E	98.7	Very high	98.5	Very high	92 Å²	92	21.5 Å²	21.5	43%	0.43	11%	0.111	S	C	.	.	H	α-helix	trans	-60.8	-43.8	178.9	-174.9	-175.5	124.9	0	0	112.2	K171 D209 F215 Y216	K171-E213 IonicContact NZ-OE2 3.24Å; K171-E213 PolarHBondContact NZ-OE2 2.65Å; D209-E213 WeakPolarHBondContact O-CB 3.3Å; D209-E213 PolarHBondContact O-N 3.12Å; E213-F215 PolarHBondContact O-N 3.44Å; E213-Y216 PolarHBondContact O-N 3.19Å
214	A	98.7	Very high	98.5	Very high	32 Å²	32	21.4 Å²	21.4	26%	0.264	11%	0.111	S	C	.	.	H	α-helix	trans	-60.3	-30.1	-179.5	0	0	0	0	0	113.2	F79 V185 G210 V211 E212	F79-A214 HydrophobicContact CD2-CB 4.44Å; F79-A214 HydrophobicContact CE2-CB 3.6Å; F79-A214 HydrophobicContact CZ-CB 3.84Å; V185-A214 HydrophobicContact CB-CB 4.44Å; V185-A214 HydrophobicContact CG1-CB 3.95Å; V185-A214 HydrophobicContact CG2-CB 3.54Å; G210-A214 WeakPolarHBondContact O-CB 3.49Å; G210-A214 PolarHBondContact O-N 3.49Å; G210-A214 VanDerWaalsContact O-N 3.12Å; V211-A214 PolarHBondContact O-N 2.99Å; E212-A214 PolarHBondContact O-N 3.16Å
215	F	98.6	Very high	98.5	Very high	16 Å²	16	21.5 Å²	21.5	7%	0.07	11%	0.112	C	C	.	.	H	α-helix	trans	-115.9	12.3	-176.8	-59.9	-64	0	0	0	114.1	V185 I188 L189 L192 V211 E212 E213 T217 T218 V221	V185-F215 HydrophobicContact CB-CE2 4.35Å; V185-F215 HydrophobicContact CB-CZ 4.46Å; V185-F215 HydrophobicContact CG1-CE2 4.16Å; V185-F215 HydrophobicContact CG1-CZ 3.88Å; V185-F215 HydrophobicContact CG2-CE2 4.03Å; I188-F215 HydrophobicContact CB-CE2 3.9Å; I188-F215 HydrophobicContact CB-CZ 3.71Å; I188-F215 HydrophobicContact CD1-CD2 4.39Å; I188-F215 HydrophobicContact CD1-CE2 3.73Å; I188-F215 HydrophobicContact CD1-CZ 4.44Å; I188-F215 HydrophobicContact CG1-CE2 4.42Å; I188-F215 HydrophobicContact CG2-CE1 3.95Å; I188-F215 HydrophobicContact CG2-CE2 3.7Å; I188-F215 HydrophobicContact CG2-CZ 3.36Å; L189-F215 HydrophobicContact CD2-CE1 4.27Å; L192-F215 HydrophobicContact CD1-CE1 4.21Å; V211-F215 HydrophobicContact CG1-CD2 4.02Å; V211-F215 HydrophobicContact CG1-CE2 4.14Å; V211-F215 VanDerWaalsContact O-CD2 3.31Å; V211-F215 WeakPolarHBondContact O-CD2 3.08Å; V211-F215 PolarHBondContact O-N 3.26Å; E212-F215 CarbonylContact O-C 3.54Å; E212-F215 PolarHBondContact O-N 2.87Å; E213-F215 PolarHBondContact O-N 3.44Å; F215-T217 PolarHBondContact O-N 3.19Å; F215-T218 HydrophobicContact CB-CG2 3.83Å; F215-T218 HydrophobicContact CD1-CG2 3.95Å; F215-T218 HydrophobicContact CG-CG2 4.37Å; F215-T218 VanDerWaalsContact O-CG2 3.3Å; F215-T218 WeakPolarHBondContact O-CG2 3.44Å; F215-T218 PolarHBondContact O-N 3.37Å; F215-T218 VanDerWaalsContact O-N 3.16Å; F215-V221 HydrophobicContact CB-CB 3.88Å; F215-V221 HydrophobicContact CB-CG1 4.06Å; F215-V221 HydrophobicContact CB-CG2 4.43Å; F215-V221 HydrophobicContact CD1-CB 4.09Å; F215-V221 HydrophobicContact CD1-CG1 4.49Å; F215-V221 HydrophobicContact CD1-CG2 3.68Å; F215-V221 HydrophobicContact CD2-CB 4.31Å; F215-V221 HydrophobicContact CD2-CG1 3.85Å; F215-V221 HydrophobicContact CD2-CG2 4.39Å; F215-V221 HydrophobicContact CE1-CG2 3.99Å; F215-V221 HydrophobicContact CE2-CG1 4.45Å; F215-V221 HydrophobicContact CG-CB 3.83Å; F215-V221 HydrophobicContact CG-CG1 3.87Å; F215-V221 HydrophobicContact CG-CG2 3.91Å; F215-V221 HydrophobicContact CZ-CG2 4.47Å
216	Y	98.5	Very high	98.5	Very high	54 Å²	54	21.5 Å²	21.5	21%	0.212	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.9	-170.6	-150.6	-121.6	0	0	0	114.6	E212 E213 D241 G243 L244 A251	E212-Y216 HydrophobicContact CG-CD2 3.55Å; E212-Y216 HydrophobicContact CG-CE2 3.77Å; E212-Y216 WeakPolarHBondContact O-CA 3.45Å; E212-Y216 WeakPolarHBondContact O-CB 3.44Å; E212-Y216 PolarHBondContact O-N 2.94Å; E213-Y216 PolarHBondContact O-N 3.19Å; Y216-D241 WeakPolarHBondContact OH-CA 3.45Å; Y216-G243 VanDerWaalsContact CE2-CA 3.47Å; Y216-G243 VanDerWaalsContact CZ-CA 3.43Å; Y216-G243 VanDerWaalsContact CZ-N 3.32Å; Y216-G243 WeakPolarHBondContact O-CA 3.45Å; Y216-G243 PolarHBondContact OH-N 2.6Å; Y216-L244 HydrophobicContact CD1-CB 4.14Å; Y216-L244 HydrophobicContact CD1-CD1 3.83Å; Y216-L244 HydrophobicContact CD1-CG 3.79Å; Y216-L244 HydrophobicContact CE1-CB 4.4Å; Y216-L244 HydrophobicContact CE1-CD1 3.82Å; Y216-L244 HydrophobicContact CE1-CG 3.62Å; Y216-L244 PolarHBondContact O-N 3.05Å; Y216-A251 HydrophobicContact CD2-CB 4.3Å; Y216-A251 HydrophobicContact CE2-CB 4.01Å
217	T	98.2	Very high	98.5	Very high	73 Å²	73	21 Å²	21	45%	0.448	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	5	-176.3	59.2	0	0	0	0	114.7	F215 L244 G247	F215-T217 PolarHBondContact O-N 3.19Å; T217-L244 WeakPolarHBondContact CA-O 3.44Å; T217-L244 HydrophobicContact CG2-CB 4.27Å; T217-G247 PolarHBondContact O-N 3.32Å
218	T	97.3	Very high	98.5	Very high	36 Å²	36	22.5 Å²	22.5	22%	0.221	12%	0.116	C	C	.	.			trans	-115.6	147.9	-178.3	-175.2	0	0	0	0	112.8	F215 R220 V221 G247	F215-T218 HydrophobicContact CB-CG2 3.83Å; F215-T218 HydrophobicContact CD1-CG2 3.95Å; F215-T218 HydrophobicContact CG-CG2 4.37Å; F215-T218 VanDerWaalsContact O-CG2 3.3Å; F215-T218 WeakPolarHBondContact O-CG2 3.44Å; F215-T218 PolarHBondContact O-N 3.37Å; F215-T218 VanDerWaalsContact O-N 3.16Å; T218-R220 PolarHBondContact OG1-N 3.24Å; T218-V221 HydrophobicContact CG2-CB 4.37Å; T218-V221 HydrophobicContact CG2-CG2 4.47Å; T218-G247 VanDerWaalsContact O-CA 3.22Å; T218-G247 WeakPolarHBondContact O-CA 3.44Å
219	D	96.8	Very high	98.4	Very high	37 Å²	37	23.1 Å²	23.1	20%	0.198	12%	0.123	C	C	.	.	S	Bend	trans	-94.6	-1	172.7	57.6	-10.3	0	0	0	113.1	Y250 F280 P405	D219-Y250 HydrophobicContact CB-CD1 4.26Å; D219-Y250 HydrophobicContact CB-CD2 3.95Å; D219-Y250 HydrophobicContact CB-CE1 3.9Å; D219-Y250 HydrophobicContact CB-CE2 3.55Å; D219-Y250 HydrophobicContact CB-CG 4.29Å; D219-Y250 WeakPolarHBondContact O-CE1 3.42Å; D219-F280 WeakPolarHBondContact O-CE2 3.44Å; D219-P405 HydrophobicContact CB-CB 4.14Å; D219-P405 HydrophobicContact CB-CG 4.22Å; D219-P405 VanDerWaalsContact OD2-CB 3.26Å; D219-P405 WeakPolarHBondContact OD2-CB 3.19Å
220	R	97.7	Very high	98.2	Very high	61 Å²	61	25.6 Å²	25.6	23%	0.23	15%	0.151	C	C	.	.	S	Bend	trans	-81.4	-17.1	177.8	-65.4	-168.1	63.6	-160.4	-2.5	113.6	L192 H195 E196 R197 V198 T218	L192-R220 HydrophobicContact CD2-CB 3.89Å; L192-R220 PolarHBondContact O-NH2 3.23Å; H195-R220 PolarHBondContact O-NH2 3.15Å; E196-R220 PolarHBondContact O-NE 2.96Å; E196-R220 VanDerWaalsContact O-NE 3.14Å; R197-R220 WeakPolarHBondContact CA-O 3.41Å; V198-R220 PolarHBondContact N-O 2.78Å; T218-R220 PolarHBondContact OG1-N 3.24Å
221	V	98.5	Very high	98	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.3	178.9	-177	0	0	0	0	108.8	I188 L192 V198 F215 T218 T223	I188-V221 HydrophobicContact CD1-CG1 4.5Å; I188-V221 HydrophobicContact CG2-CG1 4.26Å; I188-V221 HydrophobicContact CG2-CG2 3.64Å; L192-V221 HydrophobicContact CD1-CG2 3.77Å; L192-V221 HydrophobicContact CD2-CG2 4.1Å; L192-V221 HydrophobicContact CG-CG2 4.34Å; V198-V221 VanDerWaalsContact O-CA 3.25Å; V198-V221 WeakPolarHBondContact O-CA 3.26Å; F215-V221 HydrophobicContact CB-CB 3.88Å; F215-V221 HydrophobicContact CB-CG1 4.06Å; F215-V221 HydrophobicContact CB-CG2 4.43Å; F215-V221 HydrophobicContact CD1-CB 4.09Å; F215-V221 HydrophobicContact CD1-CG1 4.49Å; F215-V221 HydrophobicContact CD1-CG2 3.68Å; F215-V221 HydrophobicContact CD2-CB 4.31Å; F215-V221 HydrophobicContact CD2-CG1 3.85Å; F215-V221 HydrophobicContact CD2-CG2 4.39Å; F215-V221 HydrophobicContact CE1-CG2 3.99Å; F215-V221 HydrophobicContact CE2-CG1 4.45Å; F215-V221 HydrophobicContact CG-CB 3.83Å; F215-V221 HydrophobicContact CG-CG1 3.87Å; F215-V221 HydrophobicContact CG-CG2 3.91Å; F215-V221 HydrophobicContact CZ-CG2 4.47Å; T218-V221 HydrophobicContact CG2-CB 4.37Å; T218-V221 HydrophobicContact CG2-CG2 4.47Å; V221-T223 HydrophobicContact CG1-CG2 4.35Å
222	L	98.6	Very high	97.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.4	170.4	173.1	65.3	0	0	0	108.4	V198 M199 Y200 V224 Y250 V252 A276 F280 M401	V198-L222 PolarHBondContact O-N 3.33Å; V198-L222 VanDerWaalsContact O-N 3.12Å; M199-L222 WeakPolarHBondContact CA-O 3.46Å; M199-L222 HydrophobicContact CE-CD2 4.24Å; M199-L222 HydrophobicContact CG-CD2 4.32Å; M199-L222 HydrophobicContact SD-CD2 4.48Å; Y200-L222 PolarHBondContact N-O 3.39Å; L222-V224 HydrophobicContact CD1-CG2 4.46Å; L222-V224 HydrophobicContact CD2-CG2 4.09Å; L222-V224 HydrophobicContact CG-CG2 3.89Å; L222-Y250 WeakPolarHBondContact CA-O 3.28Å; L222-Y250 WeakPolarHBondContact CD1-O 3.32Å; L222-V252 HydrophobicContact CD1-CG2 3.78Å; L222-A276 HydrophobicContact CD2-CB 4.03Å; L222-F280 HydrophobicContact CB-CD1 3.66Å; L222-F280 HydrophobicContact CB-CD2 3.86Å; L222-F280 HydrophobicContact CB-CE1 3.61Å; L222-F280 HydrophobicContact CB-CE2 3.81Å; L222-F280 HydrophobicContact CB-CG 3.79Å; L222-F280 HydrophobicContact CB-CZ 3.68Å; L222-F280 HydrophobicContact CD2-CB 3.64Å; L222-F280 HydrophobicContact CD2-CD1 3.97Å; L222-F280 HydrophobicContact CD2-CD2 4.3Å; L222-F280 HydrophobicContact CD2-CG 3.72Å; L222-F280 HydrophobicContact CG-CD1 4.48Å; L222-F280 HydrophobicContact CG-CG 4.39Å; L222-M401 HydrophobicContact CD1-SD 4.06Å; L222-M401 HydrophobicContact CD2-CE 4.28Å; L222-M401 HydrophobicContact CD2-SD 4.48Å
223	T	98.9	Very high	97.8	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.8	171.8	59.9	0	0	0	0	110.4	Y200 V211 V221 Y250 A251 V252	Y200-T223 HydrophobicContact CD1-CG2 4.04Å; V211-T223 HydrophobicContact CG1-CG2 4.29Å; V221-T223 HydrophobicContact CG1-CG2 4.35Å; T223-Y250 PolarHBondContact N-O 3.17Å; T223-A251 WeakPolarHBondContact OG1-CA 3.46Å; T223-V252 PolarHBondContact O-N 2.89Å
224	V	98.9	Very high	97.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	110	177.4	-171.2	0	0	0	0	109.4	M199 Y200 I201 D202 L222 F226 V252 V272 A276	M199-V224 HydrophobicContact CE-CB 4.3Å; M199-V224 HydrophobicContact CE-CG2 3.45Å; M199-V224 VanDerWaalsContact CE-CG2 3.45Å; Y200-V224 PolarHBondContact O-N 2.61Å; I201-V224 CarbonylContact C-O 3.49Å; I201-V224 WeakPolarHBondContact CA-O 3.25Å; D202-V224 PolarHBondContact N-O 3Å; L222-V224 HydrophobicContact CD1-CG2 4.46Å; L222-V224 HydrophobicContact CD2-CG2 4.09Å; L222-V224 HydrophobicContact CG-CG2 3.89Å; V224-F226 HydrophobicContact CG1-CD2 4.46Å; V224-F226 HydrophobicContact CG1-CE2 3.67Å; V224-F226 HydrophobicContact CG1-CZ 4.08Å; V224-V252 WeakPolarHBondContact CA-O 3.31Å; V224-V252 HydrophobicContact CB-CB 4.43Å; V224-V252 HydrophobicContact CG1-CB 4.25Å; V224-V252 HydrophobicContact CG1-CG1 4.07Å; V224-V252 HydrophobicContact CG2-CB 4.11Å; V224-V272 HydrophobicContact CG1-CG1 4.19Å; V224-A276 HydrophobicContact CG2-CB 4.42Å
225	S	98.9	Very high	97.7	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.6	-176.2	-176.7	0	0	0	0	112.8	H227 V252 V254	S225-H227 PolarHBondContact OG-ND1 3.25Å; S225-V252 PolarHBondContact N-O 2.86Å; S225-V254 WeakPolarHBondContact O-CB 3.41Å; S225-V254 PolarHBondContact O-N 2.98Å
226	F	98.9	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	97.3	177.5	-62.1	-97.2	0	0	0	110.5	D202 I203 D204 V224 V254 L256 Y265 V268 F269 V272 V273	D202-F226 PolarHBondContact O-N 3.3Å; I203-F226 HydrophobicContact CG2-CD2 4.49Å; D204-F226 VanDerWaalsContact O-O 3.07Å; V224-F226 HydrophobicContact CG1-CD2 4.46Å; V224-F226 HydrophobicContact CG1-CE2 3.67Å; V224-F226 HydrophobicContact CG1-CZ 4.08Å; F226-V254 HydrophobicContact CD1-CB 3.65Å; F226-V254 HydrophobicContact CD1-CG1 3.76Å; F226-V254 HydrophobicContact CD1-CG2 3.8Å; F226-V254 HydrophobicContact CE1-CB 4.05Å; F226-V254 HydrophobicContact CE1-CG1 4.08Å; F226-V254 HydrophobicContact CE1-CG2 3.69Å; F226-V254 HydrophobicContact CG-CB 4.23Å; F226-V254 HydrophobicContact CG-CG2 4.41Å; F226-V254 HydrophobicContact CZ-CG2 4.23Å; F226-L256 HydrophobicContact CB-CD1 4.47Å; F226-Y265 HydrophobicContact CB-CE2 4.42Å; F226-Y265 WeakPolarHBondContact CB-OH 3.34Å; F226-V268 HydrophobicContact CD1-CG1 4.43Å; F226-V268 HydrophobicContact CE1-CG1 4.18Å; F226-F269 AromaticContact CD2-CD2 3.97Å; F226-F269 HydrophobicContact CD2-CD2 3.97Å; F226-F269 HydrophobicContact CD2-CE2 4.29Å; F226-F269 HydrophobicContact CE1-CB 4.33Å; F226-F269 HydrophobicContact CE1-CD2 4.22Å; F226-F269 AromaticContact CE2-CD2 3.61Å; F226-F269 HydrophobicContact CE2-CD2 3.61Å; F226-F269 AromaticContact CE2-CE2 3.89Å; F226-F269 HydrophobicContact CE2-CE2 3.89Å; F226-F269 HydrophobicContact CG-CD2 4.42Å; F226-F269 HydrophobicContact CZ-CB 4.47Å; F226-F269 AromaticContact CZ-CD2 3.76Å; F226-F269 HydrophobicContact CZ-CD2 3.76Å; F226-F269 HydrophobicContact CZ-CE2 4.4Å; F226-F269 HydrophobicContact CZ-CG 4.4Å; F226-V272 HydrophobicContact CE1-CB 4.13Å; F226-V272 HydrophobicContact CE1-CG1 4.13Å; F226-V272 HydrophobicContact CZ-CB 3.95Å; F226-V272 HydrophobicContact CZ-CG1 3.72Å; F226-V273 HydrophobicContact CE2-CG2 3.87Å; F226-V273 HydrophobicContact CZ-CG2 3.8Å
227	H	98.9	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	167.5	-166.1	50.7	-97.1	0	0	0	112.4	C205 H206 H207 S225 G229 G237 N253 V254 L256	C205-H227 WeakPolarHBondContact O-CA 3.33Å; C205-H227 WeakPolarHBondContact O-CB 3.43Å; H206-H227 VanDerWaalsContact C-CB 3.45Å; H207-H227 HydrophobicContact CB-CB 4.27Å; H207-H227 AromaticContact CD2-CE1 3.47Å; H207-H227 PolarHBondContact CD2-CE1 3.38Å; H207-H227 VanDerWaalsContact CD2-CE1 3.47Å; H207-H227 AromaticContact CD2-ND1 3.56Å; H207-H227 AromaticContact CG-CE1 3.91Å; H207-H227 AromaticContact CG-ND1 3.97Å; S225-H227 PolarHBondContact OG-ND1 3.25Å; H227-G229 PolarHBondContact O-N 3.12Å; H227-G237 PolarHBondContact NE2-O 2.96Å; H227-N253 PolarHBondContact CE1-OD1 3.32Å; H227-V254 PolarHBondContact N-O 3.07Å; H227-L256 WeakPolarHBondContact O-CB 3.31Å; H227-L256 PolarHBondContact O-N 3.23Å
228	K	98.5	Very high	97.7	Very high	35 Å²	35	41.8 Å²	41.8	15%	0.152	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	109.9	172.1	175	64.8	177.7	57.1	0	109.8	C205 F232 C301 F302	C205-K228 PolarHBondContact O-N 2.9Å; K228-F232 HydrophobicContact CB-CD1 3.61Å; K228-F232 HydrophobicContact CB-CE1 3.92Å; K228-F232 HydrophobicContact CB-CG 4.05Å; K228-F232 HydrophobicContact CG-CB 3.87Å; K228-F232 HydrophobicContact CG-CD1 3.73Å; K228-F232 HydrophobicContact CG-CD2 4.03Å; K228-F232 HydrophobicContact CG-CE1 4.24Å; K228-F232 HydrophobicContact CG-CG 3.61Å; K228-C301 VanDerWaalsContact CG-SG 3.56Å; K228-F302 HydrophobicContact CB-CE1 3.9Å; K228-F302 HydrophobicContact CB-CZ 4.26Å; K228-F302 HydrophobicContact CD-CE1 4.3Å
229	G	96.7	Very high	97.7	Very high	16 Å²	16	41.2 Å²	41.2	17%	0.165	24%	0.236	C	C	.	.			trans	-83.7	167.9	175.2	0	0	0	0	0	113.7	H227 L256	H227-G229 PolarHBondContact O-N 3.12Å; G229-L256 PolarHBondContact N-O 3.38Å
230	G	93.9	Very high	97.8	Very high	65 Å²	65	41.7 Å²	41.7	67%	0.67	25%	0.249	S	C	*	.	S	Bend	trans	94.5	-143.2	178.6	0	0	0	0	0	112.5	F232	G230-F232 PolarHBondContact O-N 3.21Å
231	E	94.2	Very high	97.8	Very high	205 Å²	205	41.1 Å²	41.1	96%	0.958	25%	0.251	S	S	*	.	S	Bend	trans	-74.2	76.1	176.4	-64.6	178	178.6	0	0	110.4
232	F	97.1	Very high	97.8	Very high	49 Å²	49	42.2 Å²	42.2	22%	0.215	26%	0.257	C	S	.	.	S	Bend	trans	-149.9	148	179	-160.1	-111.2	0	0	0	109.7	H206 K228 G230 G235	H206-F232 AromaticContact CD2-CD1 3.95Å; H206-F232 AromaticContact CD2-CE1 3.28Å; H206-F232 WeakPolarHBondContact CD2-CE1 3.45Å; H206-F232 AromaticContact CD2-CZ 3.94Å; H206-F232 AromaticContact NE2-CE1 3.39Å; H206-F232 WeakPolarHBondContact NE2-CE1 3.28Å; H206-F232 AromaticContact NE2-CZ 3.55Å; K228-F232 HydrophobicContact CB-CD1 3.61Å; K228-F232 HydrophobicContact CB-CE1 3.92Å; K228-F232 HydrophobicContact CB-CG 4.05Å; K228-F232 HydrophobicContact CG-CB 3.87Å; K228-F232 HydrophobicContact CG-CD1 3.73Å; K228-F232 HydrophobicContact CG-CD2 4.03Å; K228-F232 HydrophobicContact CG-CE1 4.24Å; K228-F232 HydrophobicContact CG-CG 3.61Å; G230-F232 PolarHBondContact O-N 3.21Å; F232-G235 WeakPolarHBondContact O-CA 3.26Å; F232-G235 PolarHBondContact O-N 2.82Å
233	F	97.9	Very high	97.8	Very high	85 Å²	85	42.5 Å²	42.5	37%	0.373	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	140.3	176.5	-176.8	-90.8	0	0	0	110	H169 S176 H206	H169-F233 AromaticContact CD2-CE1 3.69Å; H169-F233 AromaticContact CE1-CE1 3.62Å; H169-F233 AromaticContact CG-CE1 3.88Å; H169-F233 AromaticContact ND1-CE1 3.83Å; H169-F233 AromaticContact NE2-CD1 3.87Å; H169-F233 AromaticContact NE2-CE1 3.47Å; H169-F233 WeakPolarHBondContact NE2-CE1 3.43Å; S176-F233 WeakPolarHBondContact OG-CZ 3.39Å; H206-F233 PolarHBondContact CD2-O 3.28Å
234	P	97.9	Very high	97.7	Very high	31 Å²	31	46.9 Å²	46.9	20%	0.201	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89.2	4.4	2.2	34.8	-35.7	0	0	0	115.2	H207 D209 T236	H207-P234 HydrophobicContact CB-CG 3.97Å; D209-P234 HydrophobicContact CB-CG 3.82Å; P234-T236 VanDerWaalsContact C-N 3.35Å; P234-T236 WeakPolarHBondContact CG-OG1 3.38Å
235	G	97	Very high	97.5	Very high	60 Å²	60	54.6 Å²	54.6	62%	0.619	32%	0.318	S	S	*	.	S	Bend	trans	84.4	4.2	-178.4	0	0	0	0	0	115.2	F232	F232-G235 WeakPolarHBondContact O-CA 3.26Å; F232-G235 PolarHBondContact O-N 2.82Å
236	T	98.4	Very high	97.4	Very high	65 Å²	65	61.4 Å²	61.4	40%	0.399	35%	0.348	S	S	.	.			trans	-109.5	-175.8	173.5	56.5	0	0	0	0	110.9	H207 D209 P234	H207-T236 PolarHBondContact ND1-OG1 3.21Å; D209-T236 WeakPolarHBondContact CB-OG1 3.24Å; P234-T236 VanDerWaalsContact C-N 3.35Å; P234-T236 WeakPolarHBondContact CG-OG1 3.38Å
237	G	98.4	Very high	97.3	Very high	2 Å²	2	61.5 Å²	61.5	2%	0.021	35%	0.348	C	S	.	.			trans	88.5	28.2	178.9	0	0	0	0	0	112.9	H207 H227 D241	H207-G237 PolarHBondContact CE1-N 3.01Å; H207-G237 WeakPolarHBondContact ND1-CA 3.17Å; H207-G237 PolarHBondContact ND1-N 3.45Å; H227-G237 PolarHBondContact NE2-O 2.96Å; G237-D241 PolarHBondContact N-OD2 3.27Å
238	H	98.2	Very high	97.2	Very high	121 Å²	121	63.8 Å²	63.8	56%	0.56	36%	0.363	S	S	*	.			trans	-66.4	150.2	174.3	-175.1	-99.2	0	0	0	110	G240 D241	H238-G240 PolarHBondContact ND1-N 3.47Å; H238-G240 PolarHBondContact O-N 3.12Å; H238-D241 WeakPolarHBondContact CB-OD2 3.35Å; H238-D241 PolarHBondContact N-OD2 3.41Å; H238-D241 VanDerWaalsContact O-CB 3.31Å; H238-D241 WeakPolarHBondContact O-CB 3.33Å; H238-D241 PolarHBondContact O-N 2.96Å
239	I	97.9	Very high	97.2	Very high	24 Å²	24	65.1 Å²	65.1	12%	0.123	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.8	179.8	-160.6	165.3	0	0	0	114.2	P255 I390 K393 V394 N397	I239-P255 HydrophobicContact CB-CG 4Å; I239-I390 HydrophobicContact CD1-CG2 4.28Å; I239-K393 HydrophobicContact CD1-CB 3.49Å; I239-K393 VanDerWaalsContact CD1-CB 3.49Å; I239-K393 HydrophobicContact CD1-CD 3.94Å; I239-K393 HydrophobicContact CD1-CG 4.39Å; I239-K393 HydrophobicContact CG1-CB 4.3Å; I239-V394 HydrophobicContact CD1-CG2 4Å; I239-V394 HydrophobicContact CG1-CG2 4.24Å; I239-N397 PolarHBondContact O-ND2 3.26Å
240	G	97.6	Very high	97.3	Very high	46 Å²	46	64.8 Å²	64.8	47%	0.474	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-6.4	175.2	0	0	0	0	0	114.2	H238 V242	H238-G240 PolarHBondContact ND1-N 3.47Å; H238-G240 PolarHBondContact O-N 3.12Å; G240-V242 PolarHBondContact O-N 2.96Å
241	D	98.2	Very high	97.5	Very high	50 Å²	50	61.8 Å²	61.8	27%	0.267	33%	0.331	S	S	.	.			trans	-80.9	96.2	174.1	-58.3	-18.7	0	0	0	106.6	Y216 G237 H238 N253	Y216-D241 WeakPolarHBondContact OH-CA 3.45Å; G237-D241 PolarHBondContact N-OD2 3.27Å; H238-D241 WeakPolarHBondContact CB-OD2 3.35Å; H238-D241 PolarHBondContact N-OD2 3.41Å; H238-D241 VanDerWaalsContact O-CB 3.31Å; H238-D241 WeakPolarHBondContact O-CB 3.33Å; H238-D241 PolarHBondContact O-N 2.96Å; D241-N253 PolarHBondContact O-ND2 3.48Å
242	V	98.4	Very high	97.7	Very high	24 Å²	24	52.1 Å²	52.1	15%	0.145	29%	0.286	C	S	.	.			trans	-119.7	12.5	-169.5	-63.2	0	0	0	0	112.8	G240 T248 F249 N397	G240-V242 PolarHBondContact O-N 2.96Å; V242-T248 CarbonylContact O-C 3.57Å; V242-T248 WeakPolarHBondContact O-CA 3.43Å; V242-F249 HydrophobicContact CB-CD1 4.15Å; V242-F249 HydrophobicContact CG1-CD1 4.43Å; V242-F249 HydrophobicContact CG2-CD1 4.33Å; V242-F249 HydrophobicContact CG2-CE1 4.31Å; V242-F249 VanDerWaalsContact O-CA 3.32Å; V242-F249 WeakPolarHBondContact O-CA 3.15Å; V242-F249 PolarHBondContact O-N 3.27Å; V242-N397 HydrophobicContact CG1-CB 4.42Å; V242-N397 WeakPolarHBondContact CG1-ND2 3.46Å
243	G	98.1	Very high	97.8	Very high	5 Å²	5	50 Å²	50	5%	0.052	28%	0.277	C	S	.	.			trans	85.6	169.6	-175.5	0	0	0	0	0	114	Y216 T248	Y216-G243 VanDerWaalsContact CE2-CA 3.47Å; Y216-G243 VanDerWaalsContact CZ-CA 3.43Å; Y216-G243 VanDerWaalsContact CZ-N 3.32Å; Y216-G243 WeakPolarHBondContact O-CA 3.45Å; Y216-G243 PolarHBondContact OH-N 2.6Å; G243-T248 PolarHBondContact O-OG1 2.98Å
244	L	97.4	Very high	97.9	Very high	99 Å²	99	45.9 Å²	45.9	52%	0.518	26%	0.259	S	S	.	.	S	Bend	trans	-128.1	161.2	-175.6	-70.2	172.6	0	0	0	111.4	Y216 T217 K246 G247 T248	Y216-L244 HydrophobicContact CD1-CB 4.14Å; Y216-L244 HydrophobicContact CD1-CD1 3.83Å; Y216-L244 HydrophobicContact CD1-CG 3.79Å; Y216-L244 HydrophobicContact CE1-CB 4.4Å; Y216-L244 HydrophobicContact CE1-CD1 3.82Å; Y216-L244 HydrophobicContact CE1-CG 3.62Å; Y216-L244 PolarHBondContact O-N 3.05Å; T217-L244 WeakPolarHBondContact CA-O 3.44Å; T217-L244 HydrophobicContact CG2-CB 4.27Å; L244-K246 PolarHBondContact O-N 2.88Å; L244-G247 CarbonylContact O-C 3.38Å; L244-G247 VanDerWaalsContact O-CA 3.3Å; L244-G247 WeakPolarHBondContact O-CA 3.29Å; L244-G247 PolarHBondContact O-N 3.19Å; L244-T248 WeakPolarHBondContact CA-OG1 3.15Å; L244-T248 PolarHBondContact O-N 2.88Å
245	E	95.9	Very high	97.9	Very high	161 Å²	161	45.6 Å²	45.6	75%	0.752	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	52	-120.3	176	-56	-172.5	171.1	0	0	112.9	G247 T248	E245-G247 VanDerWaalsContact C-N 3.3Å; E245-T248 PolarHBondContact N-OG1 3.39Å; E245-T248 PolarHBondContact O-OG1 3.16Å
246	K	95.9	Very high	98	Very high	147 Å²	147	42.9 Å²	42.9	64%	0.639	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-72.3	-26.4	176.1	-66.7	-176.2	177.9	-179.5	0	112.3	L244 T248	L244-K246 PolarHBondContact O-N 2.88Å; K246-T248 VanDerWaalsContact C-N 3.25Å; K246-T248 PolarHBondContact O-N 3.45Å
247	G	97	Very high	98	Very high	1 Å²	1	44 Å²	44	1%	0.01	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-79	1.7	177.1	0	0	0	0	0	114.6	T217 T218 L244 E245 F249 Y250	T217-G247 PolarHBondContact O-N 3.32Å; T218-G247 VanDerWaalsContact O-CA 3.22Å; T218-G247 WeakPolarHBondContact O-CA 3.44Å; L244-G247 CarbonylContact O-C 3.38Å; L244-G247 VanDerWaalsContact O-CA 3.3Å; L244-G247 WeakPolarHBondContact O-CA 3.29Å; L244-G247 PolarHBondContact O-N 3.19Å; E245-G247 VanDerWaalsContact C-N 3.3Å; G247-F249 PolarHBondContact O-N 3.37Å; G247-Y250 WeakPolarHBondContact O-CA 3.27Å; G247-Y250 WeakPolarHBondContact O-CB 3.3Å; G247-Y250 PolarHBondContact O-N 3.36Å
248	T	97.5	Very high	98	Very high	49 Å²	49	48.9 Å²	48.9	30%	0.301	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	127.1	174.4	-62.7	0	0	0	0	111.3	V242 G243 L244 E245 K246 Y250	V242-T248 CarbonylContact O-C 3.57Å; V242-T248 WeakPolarHBondContact O-CA 3.43Å; G243-T248 PolarHBondContact O-OG1 2.98Å; L244-T248 WeakPolarHBondContact CA-OG1 3.15Å; L244-T248 PolarHBondContact O-N 2.88Å; E245-T248 PolarHBondContact N-OG1 3.39Å; E245-T248 PolarHBondContact O-OG1 3.16Å; K246-T248 VanDerWaalsContact C-N 3.25Å; K246-T248 PolarHBondContact O-N 3.45Å; T248-Y250 VanDerWaalsContact C-N 3.31Å; T248-Y250 WeakPolarHBondContact O-CD2 3.49Å
249	F	98	Very high	98	Very high	62 Å²	62	43.1 Å²	43.1	27%	0.272	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	10.3	-167.6	-54.2	-65.6	0	0	0	116.7	V242 G247 N397 A400 M401	V242-F249 HydrophobicContact CB-CD1 4.15Å; V242-F249 HydrophobicContact CG1-CD1 4.43Å; V242-F249 HydrophobicContact CG2-CD1 4.33Å; V242-F249 HydrophobicContact CG2-CE1 4.31Å; V242-F249 VanDerWaalsContact O-CA 3.32Å; V242-F249 WeakPolarHBondContact O-CA 3.15Å; V242-F249 PolarHBondContact O-N 3.27Å; G247-F249 PolarHBondContact O-N 3.37Å; F249-N397 HydrophobicContact CD1-CB 4.33Å; F249-A400 HydrophobicContact CD1-CB 3.78Å; F249-A400 HydrophobicContact CD2-CB 3.78Å; F249-A400 HydrophobicContact CE1-CB 3.67Å; F249-A400 HydrophobicContact CE2-CB 3.68Å; F249-A400 HydrophobicContact CG-CB 3.84Å; F249-A400 HydrophobicContact CZ-CB 3.62Å; F249-M401 HydrophobicContact CB-CB 3.9Å
250	Y	98.3	Very high	98	Very high	9 Å²	9	42 Å²	42	4%	0.035	22%	0.217	C	C	.	.			trans	-101.4	10.7	173.2	-65.3	-95.4	0	0	0	113.5	D219 L222 T223 G247 T248 F280 M401 P402 P405	D219-Y250 HydrophobicContact CB-CD1 4.26Å; D219-Y250 HydrophobicContact CB-CD2 3.95Å; D219-Y250 HydrophobicContact CB-CE1 3.9Å; D219-Y250 HydrophobicContact CB-CE2 3.55Å; D219-Y250 HydrophobicContact CB-CG 4.29Å; D219-Y250 WeakPolarHBondContact O-CE1 3.42Å; L222-Y250 WeakPolarHBondContact CA-O 3.28Å; L222-Y250 WeakPolarHBondContact CD1-O 3.32Å; T223-Y250 PolarHBondContact N-O 3.17Å; G247-Y250 WeakPolarHBondContact O-CA 3.27Å; G247-Y250 WeakPolarHBondContact O-CB 3.3Å; G247-Y250 PolarHBondContact O-N 3.36Å; T248-Y250 VanDerWaalsContact C-N 3.31Å; T248-Y250 WeakPolarHBondContact O-CD2 3.49Å; Y250-F280 AromaticContact CD1-CD2 3.88Å; Y250-F280 HydrophobicContact CD1-CD2 3.88Å; Y250-F280 AromaticContact CD1-CE2 3.63Å; Y250-F280 HydrophobicContact CD1-CE2 3.63Å; Y250-F280 AromaticContact CE1-CD2 3.71Å; Y250-F280 HydrophobicContact CE1-CD2 3.71Å; Y250-F280 AromaticContact CE1-CE2 3.62Å; Y250-F280 HydrophobicContact CE1-CE2 3.62Å; Y250-M401 HydrophobicContact CD1-CG 4.11Å; Y250-M401 HydrophobicContact CD1-SD 3.54Å; Y250-M401 VanDerWaalsContact CD1-SD 3.54Å; Y250-M401 HydrophobicContact CD2-CG 4.35Å; Y250-M401 HydrophobicContact CE1-CG 3.72Å; Y250-M401 HydrophobicContact CE1-SD 3.54Å; Y250-M401 VanDerWaalsContact CE1-SD 3.54Å; Y250-M401 HydrophobicContact CE2-CG 3.99Å; Y250-M401 HydrophobicContact CG-CG 4.41Å; Y250-M401 HydrophobicContact CG-SD 4.13Å; Y250-P402 PolarHBondContact OH-O 3.32Å; Y250-P405 HydrophobicContact CE1-CG 4.12Å; Y250-P405 WeakPolarHBondContact OH-CD 3.3Å; Y250-P405 WeakPolarHBondContact OH-CG 3.46Å
251	A	98.7	Very high	98.1	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.4	162.5	0	0	0	0	0	109.6	E212 Y216 T223	E212-A251 HydrophobicContact CG-CB 4.18Å; Y216-A251 HydrophobicContact CD2-CB 4.3Å; Y216-A251 HydrophobicContact CE2-CB 4.01Å; T223-A251 WeakPolarHBondContact OG1-CA 3.46Å
252	V	98.8	Very high	98.1	Very high	3 Å²	3	41 Å²	41	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	106.1	-176.7	177.7	0	0	0	0	109.5	L222 T223 V224 S225 V272 V394 I398	L222-V252 HydrophobicContact CD1-CG2 3.78Å; T223-V252 PolarHBondContact O-N 2.89Å; V224-V252 WeakPolarHBondContact CA-O 3.31Å; V224-V252 HydrophobicContact CB-CB 4.43Å; V224-V252 HydrophobicContact CG1-CB 4.25Å; V224-V252 HydrophobicContact CG1-CG1 4.07Å; V224-V252 HydrophobicContact CG2-CB 4.11Å; S225-V252 PolarHBondContact N-O 2.86Å; V252-V272 HydrophobicContact CG1-CG1 4.26Å; V252-V394 HydrophobicContact CG1-CG1 3.73Å; V252-I398 HydrophobicContact CG1-CD1 4.24Å; V252-I398 HydrophobicContact CG1-CG1 4.25Å; V252-I398 HydrophobicContact CG2-CG1 3.95Å
253	N	98.9	Very high	98.1	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.8	-178.5	-75.5	-56.8	0	0	0	112.5	H207 E212 H227 D241 P255	H207-N253 PolarHBondContact CD2-OD1 3.04Å; H207-N253 VanDerWaalsContact CD2-OD1 3.28Å; H207-N253 PolarHBondContact NE2-OD1 3.4Å; E212-N253 PolarHBondContact OE1-ND2 2.88Å; E212-N253 PolarHBondContact OE2-ND2 3.04Å; E212-N253 PolarHBondContact OE2-OD1 2.97Å; H227-N253 PolarHBondContact CE1-OD1 3.32Å; D241-N253 PolarHBondContact O-ND2 3.48Å; N253-P255 VanDerWaalsContact C-CD 3.48Å; N253-P255 VanDerWaalsContact O-CD 3.27Å; N253-P255 WeakPolarHBondContact O-CD 3.48Å
254	V	98.8	Very high	98	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	81.5	178.7	-168.4	0	0	0	0	109.3	S225 F226 H227 L256 V268 V272 I390 V394	S225-V254 WeakPolarHBondContact O-CB 3.41Å; S225-V254 PolarHBondContact O-N 2.98Å; F226-V254 HydrophobicContact CD1-CB 3.65Å; F226-V254 HydrophobicContact CD1-CG1 3.76Å; F226-V254 HydrophobicContact CD1-CG2 3.8Å; F226-V254 HydrophobicContact CE1-CB 4.05Å; F226-V254 HydrophobicContact CE1-CG1 4.08Å; F226-V254 HydrophobicContact CE1-CG2 3.69Å; F226-V254 HydrophobicContact CG-CB 4.23Å; F226-V254 HydrophobicContact CG-CG2 4.41Å; F226-V254 HydrophobicContact CZ-CG2 4.23Å; H227-V254 PolarHBondContact N-O 3.07Å; V254-L256 HydrophobicContact CG1-CD2 4.12Å; V254-L256 HydrophobicContact CG1-CG 4.48Å; V254-L256 PolarHBondContact O-N 3.03Å; V254-V268 HydrophobicContact CG1-CG1 3.56Å; V254-V272 HydrophobicContact CG2-CG1 4.13Å; V254-I390 HydrophobicContact CG1-CG2 3.79Å; V254-V394 HydrophobicContact CG2-CG1 4.26Å; V254-V394 HydrophobicContact CG2-CG2 4.05Å
255	P	98.5	Very high	98.1	Very high	24 Å²	24	42.6 Å²	42.6	16%	0.156	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119	179.9	28.4	-34.5	0	0	0	110.9	I239 N253 I390	I239-P255 HydrophobicContact CB-CG 4Å; N253-P255 VanDerWaalsContact C-CD 3.48Å; N253-P255 VanDerWaalsContact O-CD 3.27Å; N253-P255 WeakPolarHBondContact O-CD 3.48Å; P255-I390 WeakPolarHBondContact O-CD1 3.05Å
256	L	98.7	Very high	98.2	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	167.2	-179.3	-58.3	170.8	0	0	0	111.3	F226 H227 G229 V254 I260 Y265 F302 L387	F226-L256 HydrophobicContact CB-CD1 4.47Å; H227-L256 WeakPolarHBondContact O-CB 3.31Å; H227-L256 PolarHBondContact O-N 3.23Å; G229-L256 PolarHBondContact N-O 3.38Å; V254-L256 HydrophobicContact CG1-CD2 4.12Å; V254-L256 HydrophobicContact CG1-CG 4.48Å; V254-L256 PolarHBondContact O-N 3.03Å; L256-I260 HydrophobicContact CD1-CD1 3.7Å; L256-I260 HydrophobicContact CD2-CD1 3.88Å; L256-I260 HydrophobicContact CG-CD1 4.25Å; L256-Y265 HydrophobicContact CD1-CD2 4.14Å; L256-Y265 HydrophobicContact CD1-CE2 3.82Å; L256-F302 HydrophobicContact CB-CE1 4.26Å; L256-F302 HydrophobicContact CB-CZ 3.87Å; L256-F302 HydrophobicContact CD1-CE2 4.07Å; L256-F302 HydrophobicContact CD1-CZ 3.87Å; L256-F302 HydrophobicContact CG-CZ 4.49Å; L256-L387 HydrophobicContact CD2-CD2 3.93Å
257	K	98.3	Very high	98.3	Very high	90 Å²	90	35.5 Å²	35.5	39%	0.391	19%	0.186	S	C	.	.			trans	-101	170.7	171.2	-62	176.7	175.4	-178.7	0	110.9	F302 A381 N382 H386	K257-F302 WeakPolarHBondContact O-CE1 3.35Å; K257-A381 HydrophobicContact CB-CB 3.81Å; K257-A381 HydrophobicContact CD-CB 4.18Å; K257-A381 VanDerWaalsContact CD-O 3.28Å; K257-A381 WeakPolarHBondContact CD-O 2.84Å; K257-N382 WeakPolarHBondContact CA-OD1 3.34Å; K257-N382 WeakPolarHBondContact CB-OD1 3.43Å; K257-N382 PolarHBondContact N-OD1 2.89Å; K257-N382 PolarHBondContact O-ND2 3.22Å; K257-H386 WeakPolarHBondContact CE-NE2 3.49Å
258	E	98.2	Very high	98.4	Very high	103 Å²	103	35.5 Å²	35.5	48%	0.481	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	157.1	176.4	65.3	-171.9	170.2	0	0	113.2	I260 C301 A381 N382	E258-I260 VanDerWaalsContact C-N 3.29Å; E258-I260 PolarHBondContact O-N 3.27Å; E258-C301 CarbonylContact C-O 3.59Å; E258-C301 WeakPolarHBondContact CA-O 3.14Å; E258-C301 HydrophobicContact CB-CB 4.23Å; E258-A381 HydrophobicContact CG-CB 3.82Å; E258-A381 PolarHBondContact O-N 3.17Å; E258-A381 VanDerWaalsContact O-N 3.08Å; E258-N382 PolarHBondContact O-ND2 3.31Å; E258-N382 VanDerWaalsContact O-ND2 3.15Å
259	G	98.4	Very high	98.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	16.1	172.2	0	0	0	0	0	115.4	T261 C301 M378 N380	G259-T261 PolarHBondContact O-N 3.39Å; G259-C301 PolarHBondContact N-O 2.91Å; G259-M378 VanDerWaalsContact CA-SD 3.5Å; G259-N380 VanDerWaalsContact O-CA 3.31Å; G259-N380 WeakPolarHBondContact O-CA 3.3Å; G259-N380 WeakPolarHBondContact O-CB 3.47Å; G259-N380 PolarHBondContact O-OD1 2.98Å
260	I	98.7	Very high	98.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.			trans	-57.8	132.7	175.6	-160.4	164.9	0	0	0	110.4	L256 E258 T264 Y265 F302 N303 L304 N382 L387	L256-I260 HydrophobicContact CD1-CD1 3.7Å; L256-I260 HydrophobicContact CD2-CD1 3.88Å; L256-I260 HydrophobicContact CG-CD1 4.25Å; E258-I260 VanDerWaalsContact C-N 3.29Å; E258-I260 PolarHBondContact O-N 3.27Å; I260-T264 VanDerWaalsContact CG1-OG1 3.29Å; I260-T264 WeakPolarHBondContact CG1-OG1 3.38Å; I260-Y265 HydrophobicContact CD1-CD2 3.83Å; I260-Y265 HydrophobicContact CD1-CG 4.41Å; I260-Y265 HydrophobicContact CG1-CD2 4.24Å; I260-Y265 HydrophobicContact CG2-CD2 3.81Å; I260-Y265 HydrophobicContact CG2-CE2 4.46Å; I260-F302 HydrophobicContact CG2-CB 4Å; I260-F302 HydrophobicContact CG2-CD1 3.75Å; I260-F302 HydrophobicContact CG2-CD2 3.54Å; I260-F302 HydrophobicContact CG2-CE1 4.07Å; I260-F302 HydrophobicContact CG2-CE2 3.9Å; I260-F302 HydrophobicContact CG2-CG 3.48Å; I260-F302 VanDerWaalsContact CG2-CG 3.48Å; I260-F302 HydrophobicContact CG2-CZ 4.15Å; I260-N303 CarbonylContact O-C 3.53Å; I260-N303 VanDerWaalsContact O-C 3.31Å; I260-N303 VanDerWaalsContact O-CA 3.31Å; I260-N303 WeakPolarHBondContact O-CA 3.49Å; I260-N303 WeakPolarHBondContact O-CB 3.39Å; I260-N303 PolarHBondContact O-N 3.39Å; I260-L304 HydrophobicContact CG2-CD2 4.25Å; I260-N382 WeakPolarHBondContact CB-ND2 3.31Å; I260-L387 HydrophobicContact CD1-CD2 4.47Å
261	T	98.6	Very high	98.4	Very high	37 Å²	37	37.3 Å²	37.3	23%	0.227	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-102.2	162.5	-178	56.6	0	0	0	0	111.4	G259 D263 T264 Y265 N303 N380	G259-T261 PolarHBondContact O-N 3.39Å; T261-D263 PolarHBondContact O-N 2.94Å; T261-T264 PolarHBondContact N-OG1 2.95Å; T261-T264 PolarHBondContact O-N 3.05Å; T261-T264 VanDerWaalsContact O-N 3.13Å; T261-T264 PolarHBondContact O-OG1 2.94Å; T261-T264 PolarHBondContact OG1-OG1 3.11Å; T261-Y265 WeakPolarHBondContact O-CB 3.07Å; T261-Y265 PolarHBondContact O-N 3.33Å; T261-N303 HydrophobicContact CG2-CB 4.48Å; T261-N380 HydrophobicContact CG2-CB 4.39Å; T261-N380 PolarHBondContact OG1-ND2 2.93Å
262	D	98.7	Very high	98.4	Very high	38 Å²	38	37.2 Å²	37.2	20%	0.203	19%	0.191	C	C	.	.	H	α-helix	trans	-43.8	-57.6	176.5	-64	1.1	0	0	0	112.7	T264 Y265 E266 L304 T305 G308	D262-T264 VanDerWaalsContact C-N 3.34Å; D262-T264 PolarHBondContact O-N 3.22Å; D262-Y265 PolarHBondContact O-N 3.44Å; D262-E266 PolarHBondContact O-N 2.96Å; D262-L304 VanDerWaalsContact OD1-CA 3.3Å; D262-L304 WeakPolarHBondContact OD1-CA 3.49Å; D262-T305 PolarHBondContact OD1-N 2.83Å; D262-T305 WeakPolarHBondContact OD2-CB 3.43Å; D262-T305 VanDerWaalsContact OD2-CG2 3.32Å; D262-T305 WeakPolarHBondContact OD2-CG2 3.35Å; D262-T305 PolarHBondContact OD2-OG1 2.89Å; D262-G308 VanDerWaalsContact CG-CA 3.43Å; D262-G308 PolarHBondContact OD2-N 2.69Å
263	D	97.8	Very high	98.4	Very high	128 Å²	128	37.1 Å²	37.1	68%	0.684	19%	0.19	S	C	*	.	H	α-helix	trans	-58	-46.4	-177.2	-63.8	-24.3	0	0	0	111.5	T261 E266 T267	T261-D263 PolarHBondContact O-N 2.94Å; D263-E266 PolarHBondContact O-N 2.74Å; D263-T267 WeakPolarHBondContact O-CG2 3.49Å; D263-T267 PolarHBondContact O-N 2.79Å
264	T	97.7	Very high	98.4	Very high	30 Å²	30	39.3 Å²	39.3	18%	0.184	21%	0.205	C	C	.	.	H	α-helix	trans	-70.1	-35.3	-179.9	49.2	0	0	0	0	112.8	I260 T261 D262 E266 T267 N380 L387	I260-T264 VanDerWaalsContact CG1-OG1 3.29Å; I260-T264 WeakPolarHBondContact CG1-OG1 3.38Å; T261-T264 PolarHBondContact N-OG1 2.95Å; T261-T264 PolarHBondContact O-N 3.05Å; T261-T264 VanDerWaalsContact O-N 3.13Å; T261-T264 PolarHBondContact O-OG1 2.94Å; T261-T264 PolarHBondContact OG1-OG1 3.11Å; D262-T264 VanDerWaalsContact C-N 3.34Å; D262-T264 PolarHBondContact O-N 3.22Å; T264-E266 VanDerWaalsContact C-N 3.35Å; T264-T267 PolarHBondContact O-N 2.97Å; T264-T267 PolarHBondContact O-OG1 3.1Å; T264-N380 WeakPolarHBondContact CG2-ND2 3.39Å; T264-N380 PolarHBondContact OG1-ND2 3.5Å; T264-L387 HydrophobicContact CG2-CD1 4.16Å
265	Y	98.8	Very high	98.4	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-41.3	177.8	-161.2	-82.9	0	0	0	110.2	F226 L256 I260 T261 D262 T267 V268 F269 F302 L304	F226-Y265 HydrophobicContact CB-CE2 4.42Å; F226-Y265 WeakPolarHBondContact CB-OH 3.34Å; L256-Y265 HydrophobicContact CD1-CD2 4.14Å; L256-Y265 HydrophobicContact CD1-CE2 3.82Å; I260-Y265 HydrophobicContact CD1-CD2 3.83Å; I260-Y265 HydrophobicContact CD1-CG 4.41Å; I260-Y265 HydrophobicContact CG1-CD2 4.24Å; I260-Y265 HydrophobicContact CG2-CD2 3.81Å; I260-Y265 HydrophobicContact CG2-CE2 4.46Å; T261-Y265 WeakPolarHBondContact O-CB 3.07Å; T261-Y265 PolarHBondContact O-N 3.33Å; D262-Y265 PolarHBondContact O-N 3.44Å; Y265-T267 VanDerWaalsContact C-N 3.3Å; Y265-T267 PolarHBondContact O-N 2.78Å; Y265-V268 PolarHBondContact O-N 2.91Å; Y265-F269 HydrophobicContact CD1-CB 3.86Å; Y265-F269 HydrophobicContact CD1-CG 4.47Å; Y265-F269 HydrophobicContact CE1-CB 3.86Å; Y265-F269 AromaticContact CE1-CD2 3.87Å; Y265-F269 HydrophobicContact CE1-CD2 3.87Å; Y265-F269 HydrophobicContact CE1-CG 4.11Å; Y265-F269 WeakPolarHBondContact O-CB 3.49Å; Y265-F269 PolarHBondContact O-N 2.92Å; Y265-F302 HydrophobicContact CE2-CD2 4.41Å; Y265-F302 HydrophobicContact CE2-CE2 4.09Å; Y265-L304 HydrophobicContact CD2-CD1 3.83Å; Y265-L304 HydrophobicContact CD2-CD2 3.88Å; Y265-L304 HydrophobicContact CD2-CG 4.37Å; Y265-L304 HydrophobicContact CE2-CD1 3.91Å; Y265-L304 HydrophobicContact CG-CD1 4.16Å; Y265-L304 HydrophobicContact CG-CD2 3.9Å
266	E	98	Very high	98.3	Very high	76 Å²	76	40.3 Å²	40.3	36%	0.355	21%	0.208	S	C	.	.	H	α-helix	trans	-61.3	-35.9	176.8	-173.3	169.2	-160	0	0	112.5	D262 D263 T264 V268 R270	D262-E266 PolarHBondContact O-N 2.96Å; D263-E266 PolarHBondContact O-N 2.74Å; T264-E266 VanDerWaalsContact C-N 3.35Å; E266-V268 PolarHBondContact O-N 2.83Å; E266-V268 VanDerWaalsContact O-N 3.12Å; E266-R270 HydrophobicContact CG-CB 4.48Å; E266-R270 PolarHBondContact O-N 3.06Å; E266-R270 IonicContact OE1-CZ 3.4Å; E266-R270 IonicContact OE1-NE 2.74Å; E266-R270 PolarHBondContact OE1-NE 3.35Å; E266-R270 VanDerWaalsContact OE1-NE 3.13Å; E266-R270 IonicContact OE1-NH2 3.24Å; E266-R270 PolarHBondContact OE1-NH2 3.24Å
267	T	97.8	Very high	98.3	Very high	84 Å²	84	41.1 Å²	41.1	52%	0.515	21%	0.212	S	C	.	.	H	α-helix	trans	-64.4	-14.5	176.7	67.1	0	0	0	0	114.4	D263 T264 Y265 P271	D263-T267 WeakPolarHBondContact O-CG2 3.49Å; D263-T267 PolarHBondContact O-N 2.79Å; T264-T267 PolarHBondContact O-N 2.97Å; T264-T267 PolarHBondContact O-OG1 3.1Å; Y265-T267 VanDerWaalsContact C-N 3.3Å; Y265-T267 PolarHBondContact O-N 2.78Å; T267-P271 WeakPolarHBondContact O-CG 3.43Å
268	V	98.4	Very high	98.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-109.8	-51	-179.5	-174.4	0	0	0	0	110.3	F226 V254 Y265 E266 P271 V272 L387 V391	F226-V268 HydrophobicContact CD1-CG1 4.43Å; F226-V268 HydrophobicContact CE1-CG1 4.18Å; V254-V268 HydrophobicContact CG1-CG1 3.56Å; Y265-V268 PolarHBondContact O-N 2.91Å; E266-V268 PolarHBondContact O-N 2.83Å; E266-V268 VanDerWaalsContact O-N 3.12Å; V268-P271 WeakPolarHBondContact O-CD 3.37Å; V268-V272 HydrophobicContact CG1-CG2 4.39Å; V268-V272 WeakPolarHBondContact O-CB 3.5Å; V268-V272 WeakPolarHBondContact O-CG2 3.46Å; V268-V272 PolarHBondContact O-N 2.77Å; V268-L387 HydrophobicContact CG2-CB 4.14Å; V268-L387 HydrophobicContact CG2-CD1 4.2Å; V268-L387 HydrophobicContact CG2-CD2 3.86Å; V268-L387 HydrophobicContact CG2-CG 4.28Å; V268-V391 HydrophobicContact CB-CG2 4.18Å; V268-V391 HydrophobicContact CG1-CG2 3.82Å; V268-V391 HydrophobicContact CG2-CG2 4.06Å
269	F	98.8	Very high	98.1	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-54.7	-176.2	-178.6	-92.5	0	0	0	112	I201 I203 F226 Y265 V272 V273 M287 C312 F315 V316	I201-F269 HydrophobicContact CG2-CE2 4Å; I201-F269 HydrophobicContact CG2-CZ 4.35Å; I203-F269 HydrophobicContact CG2-CD2 4.18Å; I203-F269 HydrophobicContact CG2-CE2 3.64Å; F226-F269 AromaticContact CD2-CD2 3.97Å; F226-F269 HydrophobicContact CD2-CD2 3.97Å; F226-F269 HydrophobicContact CD2-CE2 4.29Å; F226-F269 HydrophobicContact CE1-CB 4.33Å; F226-F269 HydrophobicContact CE1-CD2 4.22Å; F226-F269 AromaticContact CE2-CD2 3.61Å; F226-F269 HydrophobicContact CE2-CD2 3.61Å; F226-F269 AromaticContact CE2-CE2 3.89Å; F226-F269 HydrophobicContact CE2-CE2 3.89Å; F226-F269 HydrophobicContact CG-CD2 4.42Å; F226-F269 HydrophobicContact CZ-CB 4.47Å; F226-F269 AromaticContact CZ-CD2 3.76Å; F226-F269 HydrophobicContact CZ-CD2 3.76Å; F226-F269 HydrophobicContact CZ-CE2 4.4Å; F226-F269 HydrophobicContact CZ-CG 4.4Å; Y265-F269 HydrophobicContact CD1-CB 3.86Å; Y265-F269 HydrophobicContact CD1-CG 4.47Å; Y265-F269 HydrophobicContact CE1-CB 3.86Å; Y265-F269 AromaticContact CE1-CD2 3.87Å; Y265-F269 HydrophobicContact CE1-CD2 3.87Å; Y265-F269 HydrophobicContact CE1-CG 4.11Å; Y265-F269 WeakPolarHBondContact O-CB 3.49Å; Y265-F269 PolarHBondContact O-N 2.92Å; F269-V272 PolarHBondContact O-N 3.29Å; F269-V273 HydrophobicContact CD1-CG2 4.32Å; F269-V273 HydrophobicContact CD2-CG2 3.98Å; F269-V273 HydrophobicContact CE1-CG2 4.08Å; F269-V273 HydrophobicContact CE2-CG2 3.73Å; F269-V273 HydrophobicContact CG-CG2 4.27Å; F269-V273 HydrophobicContact CZ-CG2 3.77Å; F269-V273 WeakPolarHBondContact O-CB 3.49Å; F269-V273 WeakPolarHBondContact O-CG2 2.97Å; F269-V273 PolarHBondContact O-N 3.33Å; F269-M287 HydrophobicContact CZ-CE 4.48Å; F269-C312 HydrophobicContact CD1-CB 4.23Å; F269-C312 HydrophobicContact CD2-CB 4.42Å; F269-C312 HydrophobicContact CE1-CB 3.67Å; F269-C312 HydrophobicContact CE2-CB 3.88Å; F269-C312 HydrophobicContact CZ-CB 3.47Å; F269-C312 VanDerWaalsContact CZ-CB 3.47Å; F269-F315 HydrophobicContact CD1-CD1 4.4Å; F269-F315 HydrophobicContact CE1-CB 4.36Å; F269-F315 AromaticContact CE1-CD1 3.77Å; F269-F315 HydrophobicContact CE1-CD1 3.77Å; F269-F315 HydrophobicContact CE1-CG 4.4Å; F269-V316 HydrophobicContact CE1-CG2 4.45Å; F269-V316 HydrophobicContact CZ-CG2 4.04Å
270	R	98.3	Very high	98	Very high	104 Å²	104	42.1 Å²	42.1	39%	0.392	22%	0.215	S	C	.	.	H	α-helix	trans	-62.2	-50.5	-173.1	-179.3	-171.8	-68.3	-105.1	5.5	112	E266 V272 S274 F315	E266-R270 HydrophobicContact CG-CB 4.48Å; E266-R270 PolarHBondContact O-N 3.06Å; E266-R270 IonicContact OE1-CZ 3.4Å; E266-R270 IonicContact OE1-NE 2.74Å; E266-R270 PolarHBondContact OE1-NE 3.35Å; E266-R270 VanDerWaalsContact OE1-NE 3.13Å; E266-R270 IonicContact OE1-NH2 3.24Å; E266-R270 PolarHBondContact OE1-NH2 3.24Å; R270-V272 PolarHBondContact O-N 2.78Å; R270-S274 VanDerWaalsContact O-CB 3.23Å; R270-S274 WeakPolarHBondContact O-CB 3.4Å; R270-S274 PolarHBondContact O-N 2.77Å; R270-S274 PolarHBondContact O-OG 3.44Å; R270-F315 HydrophobicContact CG-CD2 4.04Å; R270-F315 HydrophobicContact CG-CE2 3.68Å; R270-F315 HydrophobicContact CG-CZ 4.05Å
271	P	98.3	Very high	98	Very high	50 Å²	50	47.7 Å²	47.7	33%	0.325	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-47.2	176.8	-25.5	36.1	0	0	0	113.1	T267 V268 S274 E275 M395	T267-P271 WeakPolarHBondContact O-CG 3.43Å; V268-P271 WeakPolarHBondContact O-CD 3.37Å; P271-S274 PolarHBondContact O-N 2.8Å; P271-E275 PolarHBondContact O-N 2.92Å; P271-M395 HydrophobicContact CB-CE 3.55Å; P271-M395 VanDerWaalsContact O-CE 3.31Å; P271-M395 WeakPolarHBondContact O-CE 3.42Å
272	V	98.7	Very high	97.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-49	-176.3	169.6	0	0	0	0	111.1	V224 F226 V252 V254 V268 F269 R270 E275 A276 V394 M395 I398	V224-V272 HydrophobicContact CG1-CG1 4.19Å; F226-V272 HydrophobicContact CE1-CB 4.13Å; F226-V272 HydrophobicContact CE1-CG1 4.13Å; F226-V272 HydrophobicContact CZ-CB 3.95Å; F226-V272 HydrophobicContact CZ-CG1 3.72Å; V252-V272 HydrophobicContact CG1-CG1 4.26Å; V254-V272 HydrophobicContact CG2-CG1 4.13Å; V268-V272 HydrophobicContact CG1-CG2 4.39Å; V268-V272 WeakPolarHBondContact O-CB 3.5Å; V268-V272 WeakPolarHBondContact O-CG2 3.46Å; V268-V272 PolarHBondContact O-N 2.77Å; F269-V272 PolarHBondContact O-N 3.29Å; R270-V272 PolarHBondContact O-N 2.78Å; V272-E275 PolarHBondContact O-N 3.12Å; V272-A276 VanDerWaalsContact O-CB 3.26Å; V272-A276 WeakPolarHBondContact O-CB 3.42Å; V272-A276 PolarHBondContact O-N 3.32Å; V272-V394 HydrophobicContact CB-CG1 4.42Å; V272-V394 HydrophobicContact CG1-CG1 3.79Å; V272-V394 HydrophobicContact CG2-CB 4.43Å; V272-V394 HydrophobicContact CG2-CG1 3.74Å; V272-M395 HydrophobicContact CG2-CE 4.35Å; V272-I398 HydrophobicContact CG1-CD1 4.12Å
273	V	98.8	Very high	97.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.9	-38.6	-179.7	179.5	0	0	0	0	111.2	M199 I201 F226 F269 A276 I277 F315 V316	M199-V273 HydrophobicContact CE-CG1 4.35Å; I201-V273 HydrophobicContact CD1-CG1 3.78Å; F226-V273 HydrophobicContact CE2-CG2 3.87Å; F226-V273 HydrophobicContact CZ-CG2 3.8Å; F269-V273 HydrophobicContact CD1-CG2 4.32Å; F269-V273 HydrophobicContact CD2-CG2 3.98Å; F269-V273 HydrophobicContact CE1-CG2 4.08Å; F269-V273 HydrophobicContact CE2-CG2 3.73Å; F269-V273 HydrophobicContact CG-CG2 4.27Å; F269-V273 HydrophobicContact CZ-CG2 3.77Å; F269-V273 WeakPolarHBondContact O-CB 3.49Å; F269-V273 WeakPolarHBondContact O-CG2 2.97Å; F269-V273 PolarHBondContact O-N 3.33Å; V273-A276 PolarHBondContact O-N 2.87Å; V273-I277 HydrophobicContact CG1-CD1 3.81Å; V273-I277 HydrophobicContact CG1-CG1 4.29Å; V273-I277 WeakPolarHBondContact O-CB 3.26Å; V273-I277 VanDerWaalsContact O-CG1 3.3Å; V273-I277 WeakPolarHBondContact O-CG1 3.34Å; V273-I277 PolarHBondContact O-N 2.84Å; V273-F315 HydrophobicContact CB-CE1 3.94Å; V273-F315 HydrophobicContact CG1-CD1 4.29Å; V273-F315 HydrophobicContact CG1-CE1 3.76Å; V273-V316 HydrophobicContact CG1-CG2 4.43Å
274	S	98.3	Very high	97.9	Very high	49 Å²	49	41.2 Å²	41.2	34%	0.343	20%	0.204	S	C	.	.	H	α-helix	trans	-55.1	-53.3	173	-84.3	0	0	0	0	112.1	R270 P271 I277 E278 F315	R270-S274 VanDerWaalsContact O-CB 3.23Å; R270-S274 WeakPolarHBondContact O-CB 3.4Å; R270-S274 PolarHBondContact O-N 2.77Å; R270-S274 PolarHBondContact O-OG 3.44Å; P271-S274 PolarHBondContact O-N 2.8Å; S274-I277 PolarHBondContact O-N 3.27Å; S274-E278 PolarHBondContact O-N 3.06Å; S274-F315 VanDerWaalsContact OG-CZ 3.31Å; S274-F315 WeakPolarHBondContact OG-CZ 3.38Å
275	E	97.7	Very high	98	Very high	46 Å²	46	39.8 Å²	39.8	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-66.6	-40.4	-177.2	-170.4	63.7	-142.3	0	0	111.2	P271 V272 I277 E278 R279 M395 I398 H399	P271-E275 PolarHBondContact O-N 2.92Å; V272-E275 PolarHBondContact O-N 3.12Å; E275-I277 PolarHBondContact O-N 3.02Å; E275-E278 PolarHBondContact O-N 3.28Å; E275-R279 VanDerWaalsContact O-CB 3.29Å; E275-R279 WeakPolarHBondContact O-CB 3.24Å; E275-R279 PolarHBondContact O-N 3.29Å; E275-M395 HydrophobicContact CB-CE 4.14Å; E275-M395 HydrophobicContact CB-SD 3.69Å; E275-M395 HydrophobicContact CG-SD 3.75Å; E275-I398 HydrophobicContact CB-CD1 4.47Å; E275-I398 HydrophobicContact CB-CG2 4.38Å; E275-I398 HydrophobicContact CG-CB 4.43Å; E275-I398 HydrophobicContact CG-CG2 3.71Å; E275-H399 IonicContact OE1-CD2 2.83Å; E275-H399 PolarHBondContact OE1-CD2 3.05Å; E275-H399 IonicContact OE1-NE2 3.97Å; E275-H399 PolarHBondContact OE1-NE2 3.07Å; E275-H399 IonicContact OE2-NE2 2.89Å
276	A	98.1	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.6	-45.3	176	0	0	0	0	0	111.8	M199 L222 V224 V272 V273 R279 F280 I398	M199-A276 HydrophobicContact CE-CB 3.5Å; L222-A276 HydrophobicContact CD2-CB 4.03Å; V224-A276 HydrophobicContact CG2-CB 4.42Å; V272-A276 VanDerWaalsContact O-CB 3.26Å; V272-A276 WeakPolarHBondContact O-CB 3.42Å; V272-A276 PolarHBondContact O-N 3.32Å; V273-A276 PolarHBondContact O-N 2.87Å; A276-R279 PolarHBondContact O-N 3.47Å; A276-F280 WeakPolarHBondContact O-CB 3.38Å; A276-F280 PolarHBondContact O-N 3.21Å; A276-I398 HydrophobicContact CB-CD1 4.32Å
277	I	97.9	Very high	98	Very high	19 Å²	19	36 Å²	36	10%	0.097	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-44.4	176	-71.3	175.7	0	0	0	111.2	M199 V273 S274 E275 R279 K281 P282 I285 Q319 I321	M199-I277 HydrophobicContact CE-CG1 4.23Å; M199-I277 HydrophobicContact SD-CG1 3.65Å; V273-I277 HydrophobicContact CG1-CD1 3.81Å; V273-I277 HydrophobicContact CG1-CG1 4.29Å; V273-I277 WeakPolarHBondContact O-CB 3.26Å; V273-I277 VanDerWaalsContact O-CG1 3.3Å; V273-I277 WeakPolarHBondContact O-CG1 3.34Å; V273-I277 PolarHBondContact O-N 2.84Å; S274-I277 PolarHBondContact O-N 3.27Å; E275-I277 PolarHBondContact O-N 3.02Å; I277-R279 VanDerWaalsContact C-N 3.33Å; I277-R279 PolarHBondContact O-N 3.5Å; I277-K281 VanDerWaalsContact O-CA 3.29Å; I277-K281 WeakPolarHBondContact O-CA 3.15Å; I277-K281 PolarHBondContact O-N 3.4Å; I277-P282 HydrophobicContact CG1-CG 4.44Å; I277-I285 HydrophobicContact CD1-CD1 4.09Å; I277-Q319 HydrophobicContact CD1-CB 4.37Å; I277-Q319 HydrophobicContact CD1-CG 3.69Å; I277-I321 HydrophobicContact CG2-CD1 4.21Å
278	E	96.1	Very high	98.1	Very high	137 Å²	137	32 Å²	32	64%	0.64	15%	0.153	S	C	*	.	H	α-helix	trans	-61.4	-42.6	179.3	-179.1	169.8	176.1	0	0	111.9	S274 E275 K281	S274-E278 PolarHBondContact O-N 3.06Å; E275-E278 PolarHBondContact O-N 3.28Å; E278-K281 WeakPolarHBondContact O-CE 3.42Å; E278-K281 WeakPolarHBondContact O-CG 3.41Å
279	R	95.9	Very high	98.1	Very high	77 Å²	77	32 Å²	32	29%	0.291	15%	0.153	S	C	.	.	H	α-helix	trans	-76.7	-46.3	-176.7	-168.6	67.6	176.3	-174.6	-4.1	112.9	E275 A276 I277 I398 H399 M401	E275-R279 VanDerWaalsContact O-CB 3.29Å; E275-R279 WeakPolarHBondContact O-CB 3.24Å; E275-R279 PolarHBondContact O-N 3.29Å; A276-R279 PolarHBondContact O-N 3.47Å; I277-R279 VanDerWaalsContact C-N 3.33Å; I277-R279 PolarHBondContact O-N 3.5Å; R279-I398 HydrophobicContact CB-CG2 3.99Å; R279-I398 HydrophobicContact CG-CG2 4.26Å; R279-H399 PolarHBondContact NH2-O 3.22Å; R279-M401 HydrophobicContact CB-CE 3.64Å; R279-M401 HydrophobicContact CG-CB 4.41Å; R279-M401 HydrophobicContact CG-CE 3.38Å; R279-M401 VanDerWaalsContact CZ-O 3.23Å; R279-M401 PolarHBondContact NE-O 3.31Å; R279-M401 PolarHBondContact NH2-O 2.83Å
280	F	97.4	Very high	98.1	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-84	-31.6	-174.5	-173.5	-117.8	0	0	0	113.1	R197 V198 M199 D219 L222 Y250 A276 P282 M401	R197-F280 HydrophobicContact CB-CD1 4.47Å; R197-F280 HydrophobicContact CB-CE1 3.75Å; R197-F280 HydrophobicContact CB-CE2 4.29Å; R197-F280 HydrophobicContact CB-CZ 3.64Å; R197-F280 WeakPolarHBondContact CD-O 3.16Å; R197-F280 HydrophobicContact CG-CE2 4.17Å; R197-F280 HydrophobicContact CG-CZ 3.99Å; R197-F280 PolarHBondContact NE-O 3.06Å; V198-F280 WeakPolarHBondContact O-CE1 3.4Å; M199-F280 HydrophobicContact CB-CD1 4.06Å; M199-F280 HydrophobicContact CB-CE1 4.08Å; D219-F280 WeakPolarHBondContact O-CE2 3.44Å; L222-F280 HydrophobicContact CB-CD1 3.66Å; L222-F280 HydrophobicContact CB-CD2 3.86Å; L222-F280 HydrophobicContact CB-CE1 3.61Å; L222-F280 HydrophobicContact CB-CE2 3.81Å; L222-F280 HydrophobicContact CB-CG 3.79Å; L222-F280 HydrophobicContact CB-CZ 3.68Å; L222-F280 HydrophobicContact CD2-CB 3.64Å; L222-F280 HydrophobicContact CD2-CD1 3.97Å; L222-F280 HydrophobicContact CD2-CD2 4.3Å; L222-F280 HydrophobicContact CD2-CG 3.72Å; L222-F280 HydrophobicContact CG-CD1 4.48Å; L222-F280 HydrophobicContact CG-CG 4.39Å; Y250-F280 AromaticContact CD1-CD2 3.88Å; Y250-F280 HydrophobicContact CD1-CD2 3.88Å; Y250-F280 AromaticContact CD1-CE2 3.63Å; Y250-F280 HydrophobicContact CD1-CE2 3.63Å; Y250-F280 AromaticContact CE1-CD2 3.71Å; Y250-F280 HydrophobicContact CE1-CD2 3.71Å; Y250-F280 AromaticContact CE1-CE2 3.62Å; Y250-F280 HydrophobicContact CE1-CE2 3.62Å; A276-F280 WeakPolarHBondContact O-CB 3.38Å; A276-F280 PolarHBondContact O-N 3.21Å; F280-P282 HydrophobicContact CD1-CB 3.85Å; F280-P282 HydrophobicContact CD1-CG 4.23Å; F280-P282 HydrophobicContact CE1-CB 4.05Å; F280-M401 HydrophobicContact CB-CE 3.86Å; F280-M401 HydrophobicContact CB-SD 4.49Å; F280-M401 HydrophobicContact CD2-SD 4.11Å
281	K	97.2	Very high	98.1	Very high	117 Å²	117	26.9 Å²	26.9	51%	0.509	13%	0.133	S	C	.	.			trans	49.9	62.4	-176.7	-55.1	-170.8	-169.9	165.6	0	112.6	R197 I277 E278 C404	R197-K281 PolarHBondContact NE-O 2.9Å; R197-K281 PolarHBondContact NH2-O 3.34Å; I277-K281 VanDerWaalsContact O-CA 3.29Å; I277-K281 WeakPolarHBondContact O-CA 3.15Å; I277-K281 PolarHBondContact O-N 3.4Å; E278-K281 WeakPolarHBondContact O-CE 3.42Å; E278-K281 WeakPolarHBondContact O-CG 3.41Å; K281-C404 VanDerWaalsContact CD-SG 3.53Å
282	P	97.8	Very high	98.1	Very high	10 Å²	10	24.5 Å²	24.5	7%	0.065	12%	0.118	C	C	.	.			trans	-62.9	148.7	-180	24.9	-30.4	0	0	0	111.9	M199 I277 F280 I285 I321	M199-P282 HydrophobicContact CB-CB 3.6Å; M199-P282 HydrophobicContact CB-CG 3.8Å; M199-P282 HydrophobicContact SD-CG 4.01Å; I277-P282 HydrophobicContact CG1-CG 4.44Å; F280-P282 HydrophobicContact CD1-CB 3.85Å; F280-P282 HydrophobicContact CD1-CG 4.23Å; F280-P282 HydrophobicContact CE1-CB 4.05Å; P282-I285 HydrophobicContact CB-CG1 4.45Å; P282-I285 HydrophobicContact CG-CD1 4.45Å; P282-I285 HydrophobicContact CG-CG1 4.19Å; P282-I321 HydrophobicContact CG-CD1 4.09Å
283	N	97.3	Very high	98.1	Very high	56 Å²	56	24.5 Å²	24.5	30%	0.299	12%	0.118	S	C	.	.	S	Bend	trans	-93.4	-21	171.9	-56.2	123.1	0	0	0	112.6	H195 E196 R197 P322	H195-N283 HydrophobicContact CB-CB 3.96Å; H195-N283 WeakPolarHBondContact ND1-CB 3.22Å; E196-N283 PolarHBondContact N-OD1 3.34Å; R197-N283 PolarHBondContact N-OD1 3.49Å; R197-N283 PolarHBondContact O-N 3.17Å; N283-P322 WeakPolarHBondContact O-CD 3.45Å
284	A	98.6	Very high	98.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	151.1	172.5	0	0	0	0	0	109.6	L191 H195 V198 M199 P322	L191-A284 HydrophobicContact CD1-CB 4.24Å; L191-A284 HydrophobicContact CD2-CB 4.17Å; H195-A284 HydrophobicContact CB-CB 4.42Å; V198-A284 WeakPolarHBondContact CA-O 3.46Å; M199-A284 PolarHBondContact N-O 3.29Å; A284-P322 CarbonylContact C-O 3.5Å; A284-P322 WeakPolarHBondContact CA-O 3.32Å; A284-P322 HydrophobicContact CB-CB 4.32Å
285	I	98.9	Very high	98.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133	175.2	-64.4	175.3	0	0	0	109	M199 I201 I277 P282 V316 I321 P322 L323 L324	M199-I285 HydrophobicContact CB-CG1 4.3Å; M199-I285 CarbonylContact O-C 3.56Å; M199-I285 VanDerWaalsContact O-CA 3.26Å; M199-I285 WeakPolarHBondContact O-CA 3.13Å; I201-I285 HydrophobicContact CD1-CG2 3.9Å; I201-I285 HydrophobicContact CG1-CG2 4.28Å; I277-I285 HydrophobicContact CD1-CD1 4.09Å; P282-I285 HydrophobicContact CB-CG1 4.45Å; P282-I285 HydrophobicContact CG-CD1 4.45Å; P282-I285 HydrophobicContact CG-CG1 4.19Å; I285-V316 HydrophobicContact CD1-CG1 3.98Å; I285-V316 HydrophobicContact CG2-CG1 3.89Å; I285-I321 HydrophobicContact CD1-CB 4.12Å; I285-I321 HydrophobicContact CD1-CD1 4.01Å; I285-I321 HydrophobicContact CD1-CG2 4.23Å; I285-I321 HydrophobicContact CG1-CB 4.37Å; I285-I321 HydrophobicContact CG1-CG2 3.95Å; I285-P322 PolarHBondContact N-O 3.44Å; I285-L323 HydrophobicContact CB-CD1 4Å; I285-L323 HydrophobicContact CG2-CD1 3.75Å; I285-L323 CarbonylContact O-C 3.45Å; I285-L323 WeakPolarHBondContact O-CA 3.41Å; I285-L324 PolarHBondContact O-N 3.12Å
286	V	99	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.4	163.7	-176.6	0	0	0	0	107.3	I184 I188 L191 V198 M199 Y200 I201 L324 L326	I184-V286 HydrophobicContact CG2-CG1 3.95Å; I188-V286 HydrophobicContact CG1-CB 4.42Å; I188-V286 HydrophobicContact CG1-CG2 3.83Å; L191-V286 HydrophobicContact CD1-CG2 3.41Å; L191-V286 VanDerWaalsContact CD1-CG2 3.41Å; V198-V286 HydrophobicContact CG1-CG2 4.14Å; M199-V286 PolarHBondContact O-N 2.86Å; Y200-V286 CarbonylContact C-O 3.51Å; Y200-V286 WeakPolarHBondContact CA-O 3.37Å; Y200-V286 HydrophobicContact CD2-CB 4.15Å; Y200-V286 HydrophobicContact CD2-CG1 4.12Å; Y200-V286 HydrophobicContact CE2-CG1 4.45Å; I201-V286 PolarHBondContact N-O 2.89Å; V286-L324 CarbonylContact C-O 3.58Å; V286-L324 WeakPolarHBondContact CA-O 3.46Å; V286-L324 HydrophobicContact CG1-CB 4.37Å; V286-L324 HydrophobicContact CG1-CD2 4.24Å; V286-L324 HydrophobicContact CG1-CG 4.32Å; V286-L324 HydrophobicContact CG2-CB 4.21Å; V286-L324 HydrophobicContact CG2-CD2 4.3Å; V286-L326 HydrophobicContact CG1-CD1 3.72Å; V286-L326 HydrophobicContact CG1-CG 4.27Å
287	M	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	110.7	-179.6	-174.5	174.7	175.3	0	0	110	I201 I203 F269 C312 V313 V316 L323 L324 L325 L326	I201-M287 HydrophobicContact CB-CG 4.31Å; I201-M287 HydrophobicContact CG2-CG 4.44Å; I201-M287 CarbonylContact O-C 3.55Å; I201-M287 VanDerWaalsContact O-CA 3.29Å; I201-M287 WeakPolarHBondContact O-CA 3.4Å; I203-M287 HydrophobicContact CD1-CE 3.51Å; I203-M287 HydrophobicContact CG1-CE 4.1Å; I203-M287 HydrophobicContact CG2-CE 4.24Å; F269-M287 HydrophobicContact CZ-CE 4.48Å; M287-C312 HydrophobicContact CE-CB 3.63Å; M287-V313 HydrophobicContact CE-CG2 3.75Å; M287-V313 HydrophobicContact SD-CG2 4.08Å; M287-V316 HydrophobicContact SD-CB 3.99Å; M287-V316 HydrophobicContact SD-CG1 4.25Å; M287-V316 HydrophobicContact SD-CG2 3.82Å; M287-L323 HydrophobicContact CB-CD1 4.04Å; M287-L324 PolarHBondContact N-O 3.14Å; M287-L325 HydrophobicContact CB-CD2 4.03Å; M287-L325 HydrophobicContact CG-CD2 4.45Å; M287-L325 HydrophobicContact SD-CD2 4.29Å; M287-L326 PolarHBondContact O-N 2.84Å
288	Q	98.9	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	124.8	171.2	-167.8	-82.8	14	0	0	107.6	G166 I184 Y200 I201 D202 I203 D204 G327	G166-Q288 PolarHBondContact O-NE2 2.95Å; I184-Q288 HydrophobicContact CD1-CB 4.35Å; I184-Q288 HydrophobicContact CD1-CG 3.96Å; Y200-Q288 HydrophobicContact CE2-CB 3.8Å; Y200-Q288 VanDerWaalsContact OH-CB 3.29Å; Y200-Q288 WeakPolarHBondContact OH-CB 3.38Å; I201-Q288 PolarHBondContact O-N 3.11Å; D202-Q288 PolarHBondContact OD1-OE1 2.99Å; I203-Q288 VanDerWaalsContact CG1-O 3.24Å; I203-Q288 WeakPolarHBondContact CG1-O 3.41Å; I203-Q288 PolarHBondContact N-O 2.84Å; D204-Q288 PolarHBondContact OD2-NE2 3.31Å; Q288-G327 WeakPolarHBondContact CG-O 3.23Å
289	C	98.9	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.			trans	-111.9	53.8	-174	-54.2	0	0	0	0	110.4	W163 A291 L326 G327 W340	W163-C289 HydrophobicContact CZ3-CB 3.93Å; C289-A291 PolarHBondContact O-N 3.45Å; C289-A291 VanDerWaalsContact O-N 3.17Å; C289-L326 VanDerWaalsContact CB-O 3.28Å; C289-L326 WeakPolarHBondContact CB-O 3.45Å; C289-L326 PolarHBondContact N-O 3.4Å; C289-G327 CarbonylContact C-O 3.58Å; C289-G327 PolarHBondContact N-O 3.45Å; C289-W340 PolarHBondContact O-NE1 2.74Å
290	G	98.9	Very high	98.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.			trans	-57.3	112.6	179.1	0	0	0	0	0	112.2	D204 D292 S293 H309 G327	D204-G290 WeakPolarHBondContact OD2-CA 3.46Å; G290-D292 VanDerWaalsContact C-N 3.28Å; G290-D292 PolarHBondContact O-N 2.74Å; G290-S293 PolarHBondContact O-OG 2.93Å; G290-S293 VanDerWaalsContact O-OG 3.05Å; G290-H309 PolarHBondContact O-NE2 3.45Å; G290-G327 PolarHBondContact N-O 3.44Å
291	A	98.9	Very high	98.3	Very high	1 Å²	1	23 Å²	23	1%	0.008	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-85.7	6.2	-170.4	0	0	0	0	0	113.7	C289 S293 L294 G329 V336 C339	C289-A291 PolarHBondContact O-N 3.45Å; C289-A291 VanDerWaalsContact O-N 3.17Å; A291-S293 VanDerWaalsContact C-N 3.28Å; A291-L294 HydrophobicContact CB-CD1 4.01Å; A291-L294 WeakPolarHBondContact O-CB 3.38Å; A291-L294 WeakPolarHBondContact O-CD1 3.41Å; A291-L294 VanDerWaalsContact O-CG 3.26Å; A291-L294 WeakPolarHBondContact O-CG 3.39Å; A291-L294 PolarHBondContact O-N 3.35Å; A291-G329 PolarHBondContact N-O 3.01Å; A291-V336 HydrophobicContact CB-CB 4.36Å; A291-V336 HydrophobicContact CB-CG1 4.2Å; A291-V336 HydrophobicContact CB-CG2 4.01Å; A291-C339 HydrophobicContact CB-CB 4.46Å
292	D	98.8	Very high	98.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-79.6	-10.7	172.1	53	12.5	0	0	0	113.2	D204 C205 H206 G290 L294 D297 G300 G329 Y331	D204-D292 VanDerWaalsContact CG-OD1 3.3Å; D204-D292 VanDerWaalsContact OD1-OD1 3.11Å; C205-D292 HydrophobicContact CB-CB 4.43Å; C205-D292 WeakPolarHBondContact CB-OD1 3.47Å; C205-D292 PolarHBondContact N-OD1 3.33Å; H206-D292 IonicContact CE1-OD2 3Å; H206-D292 PolarHBondContact CE1-OD2 3.34Å; H206-D292 IonicContact ND1-OD2 3.42Å; H206-D292 PolarHBondContact ND1-OD2 2.82Å; G290-D292 VanDerWaalsContact C-N 3.28Å; G290-D292 PolarHBondContact O-N 2.74Å; D292-L294 PolarHBondContact O-N 2.8Å; D292-D297 WeakPolarHBondContact O-CB 3.43Å; D292-G300 WeakPolarHBondContact O-CA 3.38Å; D292-G329 WeakPolarHBondContact OD2-CA 3.36Å; D292-Y331 HydrophobicContact CB-CD2 3.85Å; D292-Y331 HydrophobicContact CB-CE2 3.67Å; D292-Y331 VanDerWaalsContact OD2-CE2 3.28Å; D292-Y331 WeakPolarHBondContact OD2-CE2 3.22Å
293	S	98.8	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-71.6	-4.8	167.3	62.1	0	0	0	0	112.9	I203 G290 A291 F302 L304 H309	I203-S293 WeakPolarHBondContact O-CB 3.45Å; I203-S293 PolarHBondContact O-OG 3.22Å; I203-S293 VanDerWaalsContact O-OG 3.07Å; G290-S293 PolarHBondContact O-OG 2.93Å; G290-S293 VanDerWaalsContact O-OG 3.05Å; A291-S293 VanDerWaalsContact C-N 3.28Å; S293-F302 WeakPolarHBondContact O-CB 3.39Å; S293-L304 WeakPolarHBondContact O-CB 3.21Å; S293-L304 WeakPolarHBondContact O-CG 3.34Å; S293-H309 PolarHBondContact OG-CD2 3.35Å; S293-H309 PolarHBondContact OG-NE2 3.11Å; S293-H309 VanDerWaalsContact OG-NE2 3.12Å
294	L	98.9	Very high	98.5	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.016	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-74.1	152.8	176.2	-65.6	174.2	0	0	0	113.2	A291 D292 D297 L304 I306 H309 N335 C339	A291-L294 HydrophobicContact CB-CD1 4.01Å; A291-L294 WeakPolarHBondContact O-CB 3.38Å; A291-L294 WeakPolarHBondContact O-CD1 3.41Å; A291-L294 VanDerWaalsContact O-CG 3.26Å; A291-L294 WeakPolarHBondContact O-CG 3.39Å; A291-L294 PolarHBondContact O-N 3.35Å; D292-L294 PolarHBondContact O-N 2.8Å; L294-D297 WeakPolarHBondContact O-CB 3.46Å; L294-D297 PolarHBondContact O-N 3.23Å; L294-L304 CarbonylContact C-O 3.59Å; L294-L304 WeakPolarHBondContact CA-O 3.3Å; L294-I306 HydrophobicContact CD1-CG1 4.45Å; L294-I306 HydrophobicContact CD2-CG1 4.29Å; L294-H309 HydrophobicContact CD2-CB 3.77Å; L294-N335 HydrophobicContact CD1-CB 4.25Å; L294-C339 HydrophobicContact CD1-CB 3.68Å
295	T	98.7	Very high	98.5	Very high	8 Å²	8	15.1 Å²	15.1	5%	0.049	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	136.2	170	-170.1	0	0	0	0	111.7	D297 N303 L304 I373 A374 S376	T295-D297 VanDerWaalsContact C-N 3.26Å; T295-D297 PolarHBondContact O-N 3.36Å; T295-N303 WeakPolarHBondContact CB-OD1 3.5Å; T295-N303 PolarHBondContact OG1-OD1 2.66Å; T295-L304 WeakPolarHBondContact CB-O 3.45Å; T295-L304 WeakPolarHBondContact CG2-O 3.21Å; T295-L304 PolarHBondContact N-O 3.3Å; T295-I373 HydrophobicContact CG2-CD1 3.53Å; T295-I373 HydrophobicContact CG2-CG1 3.89Å; T295-A374 WeakPolarHBondContact CG2-O 3.48Å; T295-S376 PolarHBondContact OG1-N 3.32Å
296	G	97.6	Very high	98.5	Very high	52 Å²	52	15.1 Å²	15.1	54%	0.536	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	22.2	179.1	0	0	0	0	0	113.9	T332	G296-T332 PolarHBondContact O-OG1 3.35Å
297	D	98.7	Very high	98.5	Very high	17 Å²	17	21.4 Å²	21.4	9%	0.091	11%	0.112	C	C	.	.			trans	-64.8	154	165.7	-170.3	-93.3	0	0	0	111.5	D292 L294 T295 L299 G300 Y331 T332	D292-D297 WeakPolarHBondContact O-CB 3.43Å; L294-D297 WeakPolarHBondContact O-CB 3.46Å; L294-D297 PolarHBondContact O-N 3.23Å; T295-D297 VanDerWaalsContact C-N 3.26Å; T295-D297 PolarHBondContact O-N 3.36Å; D297-L299 PolarHBondContact OD1-N 3Å; D297-G300 PolarHBondContact OD1-N 3.05Å; D297-Y331 VanDerWaalsContact OD1-CD2 3.3Å; D297-Y331 WeakPolarHBondContact OD1-CD2 3.29Å; D297-Y331 PolarHBondContact OD2-N 3.34Å; D297-T332 WeakPolarHBondContact CA-OG1 3.45Å; D297-T332 PolarHBondContact OD2-N 3.13Å
298	R	97.8	Very high	98.5	Very high	120 Å²	120	21.7 Å²	21.7	45%	0.453	12%	0.115	S	C	.	.	S	Bend	trans	-78.8	-25	-177.6	-62.9	179.1	69.3	-152.4	-0.6	113.5	Y331 T332 Y452	R298-Y331 WeakPolarHBondContact CD-O 3.22Å; R298-T332 PolarHBondContact N-OG1 3.32Å; R298-Y452 PolarHBondContact NH1-OH 2.84Å; R298-Y452 VanDerWaalsContact NH1-OH 3.1Å
299	L	97.3	Very high	98.5	Very high	66 Å²	66	21.7 Å²	21.7	35%	0.346	12%	0.115	S	C	.	.	S	Bend	trans	-117.1	-41	179.5	-56.4	-175.9	0	0	0	111.6	V41 F178 D297 Y331	V41-L299 HydrophobicContact CB-CD1 4.47Å; V41-L299 HydrophobicContact CG1-CD2 4.39Å; V41-L299 HydrophobicContact CG2-CD1 3.72Å; V41-L299 HydrophobicContact CG2-CG 4.44Å; F178-L299 HydrophobicContact CE2-CD1 3.88Å; F178-L299 HydrophobicContact CZ-CD1 4.22Å; D297-L299 PolarHBondContact OD1-N 3Å; L299-Y331 HydrophobicContact CB-CD2 3.62Å; L299-Y331 HydrophobicContact CB-CE2 3.88Å; L299-Y331 HydrophobicContact CB-CG 4.43Å; L299-Y331 HydrophobicContact CD1-CD1 3.97Å; L299-Y331 HydrophobicContact CD1-CD2 3.47Å; L299-Y331 VanDerWaalsContact CD1-CD2 3.47Å; L299-Y331 HydrophobicContact CD1-CE1 3.88Å; L299-Y331 HydrophobicContact CD1-CE2 3.38Å; L299-Y331 HydrophobicContact CD1-CG 3.77Å; L299-Y331 HydrophobicContact CG-CD2 3.51Å; L299-Y331 HydrophobicContact CG-CE2 3.9Å; L299-Y331 HydrophobicContact CG-CG 3.85Å
300	G	97.4	Very high	98.5	Very high	12 Å²	12	21.8 Å²	21.8	12%	0.124	12%	0.116	C	C	.	.			trans	-68	150.4	179.7	0	0	0	0	0	112.8	D292 D297	D292-G300 WeakPolarHBondContact O-CA 3.38Å; D297-G300 PolarHBondContact OD1-N 3.05Å
301	C	97.8	Very high	98.5	Very high	21 Å²	21	23.5 Å²	23.5	14%	0.142	13%	0.128	C	C	.	.			trans	-122.5	23.5	-173.7	62	0	0	0	0	113	K228 E258 G259	K228-C301 VanDerWaalsContact CG-SG 3.56Å; E258-C301 CarbonylContact C-O 3.59Å; E258-C301 WeakPolarHBondContact CA-O 3.14Å; E258-C301 HydrophobicContact CB-CB 4.23Å; G259-C301 PolarHBondContact N-O 2.91Å
302	F	98.7	Very high	98.5	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	13%	0.128	C	C	.	.			trans	-92.7	173.5	173.6	-76.6	4.7	0	0	0	111.3	K228 L256 K257 I260 Y265 S293	K228-F302 HydrophobicContact CB-CE1 3.9Å; K228-F302 HydrophobicContact CB-CZ 4.26Å; K228-F302 HydrophobicContact CD-CE1 4.3Å; L256-F302 HydrophobicContact CB-CE1 4.26Å; L256-F302 HydrophobicContact CB-CZ 3.87Å; L256-F302 HydrophobicContact CD1-CE2 4.07Å; L256-F302 HydrophobicContact CD1-CZ 3.87Å; L256-F302 HydrophobicContact CG-CZ 4.49Å; K257-F302 WeakPolarHBondContact O-CE1 3.35Å; I260-F302 HydrophobicContact CG2-CB 4Å; I260-F302 HydrophobicContact CG2-CD1 3.75Å; I260-F302 HydrophobicContact CG2-CD2 3.54Å; I260-F302 HydrophobicContact CG2-CE1 4.07Å; I260-F302 HydrophobicContact CG2-CE2 3.9Å; I260-F302 HydrophobicContact CG2-CG 3.48Å; I260-F302 VanDerWaalsContact CG2-CG 3.48Å; I260-F302 HydrophobicContact CG2-CZ 4.15Å; Y265-F302 HydrophobicContact CE2-CD2 4.41Å; Y265-F302 HydrophobicContact CE2-CE2 4.09Å; S293-F302 WeakPolarHBondContact O-CB 3.39Å
303	N	98.7	Very high	98.5	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-129.2	34.4	-177.4	-157.7	25.6	0	0	0	111.6	I260 T261 T295 S376	I260-N303 CarbonylContact O-C 3.53Å; I260-N303 VanDerWaalsContact O-C 3.31Å; I260-N303 VanDerWaalsContact O-CA 3.31Å; I260-N303 WeakPolarHBondContact O-CA 3.49Å; I260-N303 WeakPolarHBondContact O-CB 3.39Å; I260-N303 PolarHBondContact O-N 3.39Å; T261-N303 HydrophobicContact CG2-CB 4.48Å; T295-N303 WeakPolarHBondContact CB-OD1 3.5Å; T295-N303 PolarHBondContact OG1-OD1 2.66Å; N303-S376 PolarHBondContact ND2-O 3.38Å; N303-S376 PolarHBondContact OD1-N 2.98Å; N303-S376 PolarHBondContact OD1-OG 2.94Å
304	L	98.9	Very high	98.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-77.4	137.9	179.3	-56.4	-177	0	0	0	111.4	I260 D262 Y265 S293 L294 T295	I260-L304 HydrophobicContact CG2-CD2 4.25Å; D262-L304 VanDerWaalsContact OD1-CA 3.3Å; D262-L304 WeakPolarHBondContact OD1-CA 3.49Å; Y265-L304 HydrophobicContact CD2-CD1 3.83Å; Y265-L304 HydrophobicContact CD2-CD2 3.88Å; Y265-L304 HydrophobicContact CD2-CG 4.37Å; Y265-L304 HydrophobicContact CE2-CD1 3.91Å; Y265-L304 HydrophobicContact CG-CD1 4.16Å; Y265-L304 HydrophobicContact CG-CD2 3.9Å; S293-L304 WeakPolarHBondContact O-CB 3.21Å; S293-L304 WeakPolarHBondContact O-CG 3.34Å; L294-L304 CarbonylContact C-O 3.59Å; L294-L304 WeakPolarHBondContact CA-O 3.3Å; T295-L304 WeakPolarHBondContact CB-O 3.45Å; T295-L304 WeakPolarHBondContact CG2-O 3.21Å; T295-L304 PolarHBondContact N-O 3.3Å
305	T	98.8	Very high	98.4	Very high	10 Å²	10	28.7 Å²	28.7	6%	0.061	15%	0.15	C	C	.	.			trans	-83.5	168.1	166.5	80.5	0	0	0	0	110.3	D262 R307 G308 H309 I373 P375	D262-T305 PolarHBondContact OD1-N 2.83Å; D262-T305 WeakPolarHBondContact OD2-CB 3.43Å; D262-T305 VanDerWaalsContact OD2-CG2 3.32Å; D262-T305 WeakPolarHBondContact OD2-CG2 3.35Å; D262-T305 PolarHBondContact OD2-OG1 2.89Å; T305-R307 PolarHBondContact O-N 2.97Å; T305-R307 PolarHBondContact OG1-N 3.41Å; T305-R307 VanDerWaalsContact OG1-N 3.11Å; T305-G308 PolarHBondContact O-N 3.16Å; T305-G308 VanDerWaalsContact O-N 3.12Å; T305-G308 PolarHBondContact OG1-N 3.35Å; T305-H309 PolarHBondContact O-N 2.98Å; T305-I373 WeakPolarHBondContact CB-O 3.49Å; T305-P375 HydrophobicContact CG2-CB 4.18Å; T305-P375 HydrophobicContact CG2-CG 4.27Å
306	I	98.7	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.8	-30.3	171.4	-69.4	161.6	0	0	0	111.9	L294 G310 R338 C339 Y342 L371 I373	L294-I306 HydrophobicContact CD1-CG1 4.45Å; L294-I306 HydrophobicContact CD2-CG1 4.29Å; I306-G310 PolarHBondContact O-N 3.45Å; I306-R338 HydrophobicContact CD1-CB 3.4Å; I306-R338 HydrophobicContact CD1-CG 4.35Å; I306-C339 HydrophobicContact CG1-CB 4.22Å; I306-Y342 HydrophobicContact CG2-CD1 3.52Å; I306-Y342 HydrophobicContact CG2-CE1 4.41Å; I306-Y342 HydrophobicContact CG2-CG 3.75Å; I306-Y342 WeakPolarHBondContact O-CD1 3.27Å; I306-L371 WeakPolarHBondContact CD1-O 3.15Å; I306-I373 HydrophobicContact CD1-CB 4.5Å; I306-I373 HydrophobicContact CD1-CD1 4.14Å; I306-I373 HydrophobicContact CD1-CG1 3.99Å; I306-I373 HydrophobicContact CD1-CG2 4.03Å; I306-I373 HydrophobicContact CG1-CD1 4.02Å; I306-I373 HydrophobicContact CG1-CG1 4.02Å
307	R	98.6	Very high	98.3	Very high	132 Å²	132	28.8 Å²	28.8	50%	0.498	13%	0.134	S	C	.	.	H	α-helix	trans	-71.9	-43.6	175.3	-67	-171.2	-176.2	-80.5	1.5	111.3	T305 S311 H372	T305-R307 PolarHBondContact O-N 2.97Å; T305-R307 PolarHBondContact OG1-N 3.41Å; T305-R307 VanDerWaalsContact OG1-N 3.11Å; R307-S311 WeakPolarHBondContact O-CB 3.38Å; R307-S311 PolarHBondContact O-N 2.96Å; R307-H372 WeakPolarHBondContact CG-ND1 3.28Å; R307-H372 VanDerWaalsContact CZ-CD2 3.4Å; R307-H372 PolarHBondContact NH1-NE2 3.36Å; R307-H372 PolarHBondContact NH2-CD2 2.85Å; R307-H372 PolarHBondContact NH2-NE2 3.25Å
308	G	98.7	Very high	98.2	Very high	6 Å²	6	29.9 Å²	29.9	6%	0.062	14%	0.138	C	C	.	.	H	α-helix	trans	-59.6	-51	175.5	0	0	0	0	0	111.8	D262 T305 S311	D262-G308 VanDerWaalsContact CG-CA 3.43Å; D262-G308 PolarHBondContact OD2-N 2.69Å; T305-G308 PolarHBondContact O-N 3.16Å; T305-G308 VanDerWaalsContact O-N 3.12Å; T305-G308 PolarHBondContact OG1-N 3.35Å; G308-S311 VanDerWaalsContact O-CB 3.3Å; G308-S311 WeakPolarHBondContact O-CB 3.47Å; G308-S311 PolarHBondContact O-N 3.41Å; G308-S311 VanDerWaalsContact O-N 3.16Å; G308-S311 PolarHBondContact O-OG 3.41Å
309	H	98.9	Very high	98.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-51.3	177.4	-162.4	-82.2	0	0	0	112	I203 G290 S293 L294 T305 S311 C312 C339 E343	I203-H309 WeakPolarHBondContact CD1-CE1 3.36Å; I203-H309 WeakPolarHBondContact CD1-NE2 3.28Å; G290-H309 PolarHBondContact O-NE2 3.45Å; S293-H309 PolarHBondContact OG-CD2 3.35Å; S293-H309 PolarHBondContact OG-NE2 3.11Å; S293-H309 VanDerWaalsContact OG-NE2 3.12Å; L294-H309 HydrophobicContact CD2-CB 3.77Å; T305-H309 PolarHBondContact O-N 2.98Å; H309-S311 PolarHBondContact O-N 3.07Å; H309-S311 VanDerWaalsContact O-N 3.14Å; H309-C312 VanDerWaalsContact O-CB 3.26Å; H309-C312 WeakPolarHBondContact O-CB 3.18Å; H309-C312 PolarHBondContact O-N 3.38Å; H309-C312 VanDerWaalsContact O-N 3.07Å; H309-C339 PolarHBondContact ND1-SG 2.78Å; H309-E343 IonicContact CE1-OE1 3.68Å; H309-E343 PolarHBondContact CE1-OE1 3.36Å; H309-E343 VanDerWaalsContact CE1-OE1 3.31Å; H309-E343 IonicContact CG-OE1 2.78Å; H309-E343 IonicContact ND1-OE1 3.4Å; H309-E343 PolarHBondContact ND1-OE1 3Å; H309-E343 IonicContact ND1-OE2 3.33Å
310	G	98.8	Very high	98.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-64.3	-19.9	177.5	0	0	0	0	0	114.1	I306 C312 V313 K314 L346	I306-G310 PolarHBondContact O-N 3.45Å; G310-C312 PolarHBondContact O-N 3.19Å; G310-V313 PolarHBondContact O-N 3.46Å; G310-K314 WeakPolarHBondContact O-CB 3.45Å; G310-K314 PolarHBondContact O-N 2.84Å; G310-L346 WeakPolarHBondContact O-CD1 3.35Å
311	S	98.6	Very high	98	Very high	36 Å²	36	29.4 Å²	29.4	25%	0.252	14%	0.14	S	C	.	.	H	α-helix	trans	-62.5	-31.8	174.4	81.9	0	0	0	0	111.9	R307 G308 H309 K314 F315	R307-S311 WeakPolarHBondContact O-CB 3.38Å; R307-S311 PolarHBondContact O-N 2.96Å; G308-S311 VanDerWaalsContact O-CB 3.3Å; G308-S311 WeakPolarHBondContact O-CB 3.47Å; G308-S311 PolarHBondContact O-N 3.41Å; G308-S311 VanDerWaalsContact O-N 3.16Å; G308-S311 PolarHBondContact O-OG 3.41Å; H309-S311 PolarHBondContact O-N 3.07Å; H309-S311 VanDerWaalsContact O-N 3.14Å; S311-K314 PolarHBondContact O-N 2.96Å; S311-F315 WeakPolarHBondContact O-CB 3.32Å; S311-F315 PolarHBondContact O-N 3.11Å
312	C	98.9	Very high	98	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-51.5	174.4	-59	0	0	0	0	110.6	I203 F269 M287 H309 G310 K314 F315 V316	I203-C312 HydrophobicContact CD1-CB 4.04Å; I203-C312 HydrophobicContact CG2-CB 4.49Å; F269-C312 HydrophobicContact CD1-CB 4.23Å; F269-C312 HydrophobicContact CD2-CB 4.42Å; F269-C312 HydrophobicContact CE1-CB 3.67Å; F269-C312 HydrophobicContact CE2-CB 3.88Å; F269-C312 HydrophobicContact CZ-CB 3.47Å; F269-C312 VanDerWaalsContact CZ-CB 3.47Å; M287-C312 HydrophobicContact CE-CB 3.63Å; H309-C312 VanDerWaalsContact O-CB 3.26Å; H309-C312 WeakPolarHBondContact O-CB 3.18Å; H309-C312 PolarHBondContact O-N 3.38Å; H309-C312 VanDerWaalsContact O-N 3.07Å; G310-C312 PolarHBondContact O-N 3.19Å; C312-K314 VanDerWaalsContact C-N 3.34Å; C312-K314 PolarHBondContact O-N 3.09Å; C312-F315 PolarHBondContact O-N 3.06Å; C312-V316 WeakPolarHBondContact O-CG2 3.44Å; C312-V316 PolarHBondContact O-N 2.95Å
313	V	98.7	Very high	98	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.2	-44.3	177.1	175.8	0	0	0	0	110.9	M287 G310 F315 V316 R317 L325 E343 L346	M287-V313 HydrophobicContact CE-CG2 3.75Å; M287-V313 HydrophobicContact SD-CG2 4.08Å; G310-V313 PolarHBondContact O-N 3.46Å; V313-F315 VanDerWaalsContact C-N 3.32Å; V313-F315 PolarHBondContact O-N 3.05Å; V313-V316 PolarHBondContact O-N 3.18Å; V313-R317 VanDerWaalsContact O-CB 3.23Å; V313-R317 WeakPolarHBondContact O-CB 3.5Å; V313-R317 PolarHBondContact O-N 2.72Å; V313-L325 HydrophobicContact CG1-CD1 3.99Å; V313-L325 HydrophobicContact CG1-CD2 4.15Å; V313-L325 HydrophobicContact CG2-CD2 4.49Å; V313-E343 HydrophobicContact CB-CG 4.45Å; V313-E343 HydrophobicContact CG2-CB 4.33Å; V313-E343 HydrophobicContact CG2-CG 3.96Å; V313-E343 WeakPolarHBondContact CG2-OE1 3.31Å; V313-L346 HydrophobicContact CG1-CB 4.47Å
314	K	98.3	Very high	98.1	Very high	101 Å²	101	29.6 Å²	29.6	44%	0.439	14%	0.141	S	C	.	.	H	α-helix	trans	-58.2	-44.9	176.5	-176.3	179.2	178.5	-178.2	0	111.4	G310 S311 C312 Q318 L346	G310-K314 WeakPolarHBondContact O-CB 3.45Å; G310-K314 PolarHBondContact O-N 2.84Å; S311-K314 PolarHBondContact O-N 2.96Å; C312-K314 VanDerWaalsContact C-N 3.34Å; C312-K314 PolarHBondContact O-N 3.09Å; K314-Q318 VanDerWaalsContact O-CG 3.23Å; K314-Q318 WeakPolarHBondContact O-CG 3.44Å; K314-Q318 PolarHBondContact O-N 3.43Å; K314-L346 HydrophobicContact CB-CD1 4.33Å
315	F	98.6	Very high	98.1	Very high	11 Å²	11	29.5 Å²	29.5	5%	0.048	14%	0.141	C	C	.	.	H	α-helix	trans	-65.7	-45.3	-179.4	174.6	-98.5	0	0	0	112.5	F269 R270 V273 S274 S311 C312 V313 Q318 Q319	F269-F315 HydrophobicContact CD1-CD1 4.4Å; F269-F315 HydrophobicContact CE1-CB 4.36Å; F269-F315 AromaticContact CE1-CD1 3.77Å; F269-F315 HydrophobicContact CE1-CD1 3.77Å; F269-F315 HydrophobicContact CE1-CG 4.4Å; R270-F315 HydrophobicContact CG-CD2 4.04Å; R270-F315 HydrophobicContact CG-CE2 3.68Å; R270-F315 HydrophobicContact CG-CZ 4.05Å; V273-F315 HydrophobicContact CB-CE1 3.94Å; V273-F315 HydrophobicContact CG1-CD1 4.29Å; V273-F315 HydrophobicContact CG1-CE1 3.76Å; S274-F315 VanDerWaalsContact OG-CZ 3.31Å; S274-F315 WeakPolarHBondContact OG-CZ 3.38Å; S311-F315 WeakPolarHBondContact O-CB 3.32Å; S311-F315 PolarHBondContact O-N 3.11Å; C312-F315 PolarHBondContact O-N 3.06Å; V313-F315 VanDerWaalsContact C-N 3.32Å; V313-F315 PolarHBondContact O-N 3.05Å; F315-Q318 PolarHBondContact O-N 3Å; F315-Q319 PolarHBondContact O-NE2 3.15Å; F315-Q319 VanDerWaalsContact O-NE2 3.1Å
316	V	98.4	Very high	98.1	Very high	2 Å²	2	29 Å²	29	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-66.4	-45	178.9	173.8	0	0	0	0	110.9	I201 F269 V273 I285 M287 C312 V313 Q318 Q319 L323	I201-V316 HydrophobicContact CD1-CG1 4.37Å; I201-V316 HydrophobicContact CD1-CG2 3.76Å; F269-V316 HydrophobicContact CE1-CG2 4.45Å; F269-V316 HydrophobicContact CZ-CG2 4.04Å; V273-V316 HydrophobicContact CG1-CG2 4.43Å; I285-V316 HydrophobicContact CD1-CG1 3.98Å; I285-V316 HydrophobicContact CG2-CG1 3.89Å; M287-V316 HydrophobicContact SD-CB 3.99Å; M287-V316 HydrophobicContact SD-CG1 4.25Å; M287-V316 HydrophobicContact SD-CG2 3.82Å; C312-V316 WeakPolarHBondContact O-CG2 3.44Å; C312-V316 PolarHBondContact O-N 2.95Å; V313-V316 PolarHBondContact O-N 3.18Å; V316-Q318 PolarHBondContact O-N 3.11Å; V316-Q319 VanDerWaalsContact O-CB 3.31Å; V316-Q319 WeakPolarHBondContact O-CB 3.46Å; V316-Q319 WeakPolarHBondContact O-CG 3.33Å; V316-Q319 PolarHBondContact O-N 2.84Å; V316-L323 HydrophobicContact CG1-CD1 3.74Å; V316-L323 HydrophobicContact CG1-CD2 4.2Å
317	R	96.3	Very high	98.1	Very high	61 Å²	61	29 Å²	29	23%	0.23	14%	0.138	C	C	.	.	H	α-helix	trans	-55.6	-37.8	175.4	-178.1	-170.3	170.5	-79.2	5.8	112.4	I159 V313 Q319 N320 L323 L346 A347	I159-R317 HydrophobicContact CD1-CG 4.15Å; V313-R317 VanDerWaalsContact O-CB 3.23Å; V313-R317 WeakPolarHBondContact O-CB 3.5Å; V313-R317 PolarHBondContact O-N 2.72Å; R317-Q319 PolarHBondContact O-N 3.39Å; R317-N320 PolarHBondContact O-N 3.02Å; R317-L323 HydrophobicContact CB-CD2 4.31Å; R317-L346 WeakPolarHBondContact CD-O 3.46Å; R317-L346 PolarHBondContact NE-O 3.47Å; R317-A347 PolarHBondContact NE-O 3.06Å
318	Q	96.5	Very high	98.1	Very high	39 Å²	39	23.1 Å²	23.1	18%	0.182	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-13.1	179.9	-77.2	173.3	-13	0	0	114.1	M11 K314 F315 V316 N320	M11-Q318 HydrophobicContact CE-CB 4.39Å; M11-Q318 HydrophobicContact CE-CG 4.08Å; K314-Q318 VanDerWaalsContact O-CG 3.23Å; K314-Q318 WeakPolarHBondContact O-CG 3.44Å; K314-Q318 PolarHBondContact O-N 3.43Å; F315-Q318 PolarHBondContact O-N 3Å; V316-Q318 PolarHBondContact O-N 3.11Å; Q318-N320 PolarHBondContact O-N 3.36Å; Q318-N320 PolarHBondContact O-ND2 3.04Å; Q318-N320 VanDerWaalsContact O-ND2 3.09Å
319	Q	96.3	Very high	98	Very high	64 Å²	64	23 Å²	23	30%	0.299	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.6	177.6	-53.1	-54	-49	0	0	112.8	I277 F315 V316 R317 I321	I277-Q319 HydrophobicContact CD1-CB 4.37Å; I277-Q319 HydrophobicContact CD1-CG 3.69Å; F315-Q319 PolarHBondContact O-NE2 3.15Å; F315-Q319 VanDerWaalsContact O-NE2 3.1Å; V316-Q319 VanDerWaalsContact O-CB 3.31Å; V316-Q319 WeakPolarHBondContact O-CB 3.46Å; V316-Q319 WeakPolarHBondContact O-CG 3.33Å; V316-Q319 PolarHBondContact O-N 2.84Å; R317-Q319 PolarHBondContact O-N 3.39Å; Q319-I321 HydrophobicContact CB-CD1 4.2Å; Q319-I321 HydrophobicContact CB-CG1 4.29Å
320	N	94.9	Very high	98	Very high	97 Å²	97	23 Å²	23	52%	0.519	12%	0.117	S	C	.	.			trans	53.2	55.5	-178	-53.9	-71.6	0	0	0	111.5	Y158 R317 Q318	Y158-N320 WeakPolarHBondContact OH-CA 3.43Å; Y158-N320 VanDerWaalsContact OH-CB 3.31Å; Y158-N320 WeakPolarHBondContact OH-CB 3.44Å; Y158-N320 PolarHBondContact OH-O 3.39Å; R317-N320 PolarHBondContact O-N 3.02Å; Q318-N320 PolarHBondContact O-N 3.36Å; Q318-N320 PolarHBondContact O-ND2 3.04Å; Q318-N320 VanDerWaalsContact O-ND2 3.09Å
321	I	96.7	Very high	98	Very high	27 Å²	27	23.3 Å²	23.3	14%	0.138	12%	0.118	C	C	.	.	S	Bend	trans	-121.7	139	171.1	-59.6	174.9	0	0	0	106.7	Y158 I277 P282 I285 Q319 L323	Y158-I321 PolarHBondContact OH-N 3.05Å; I277-I321 HydrophobicContact CG2-CD1 4.21Å; P282-I321 HydrophobicContact CG-CD1 4.09Å; I285-I321 HydrophobicContact CD1-CB 4.12Å; I285-I321 HydrophobicContact CD1-CD1 4.01Å; I285-I321 HydrophobicContact CD1-CG2 4.23Å; I285-I321 HydrophobicContact CG1-CB 4.37Å; I285-I321 HydrophobicContact CG1-CG2 3.95Å; Q319-I321 HydrophobicContact CB-CD1 4.2Å; Q319-I321 HydrophobicContact CB-CG1 4.29Å; I321-L323 PolarHBondContact O-N 3.47Å
322	P	98.2	Very high	98	Very high	29 Å²	29	22 Å²	22	19%	0.188	11%	0.108	C	C	.	.			trans	-43.5	126.9	172.3	-30.4	34.5	0	0	0	111.4	L152 Y158 N283 A284 I285	L152-P322 HydrophobicContact CD2-CB 4.29Å; Y158-P322 HydrophobicContact CD2-CG 4.45Å; Y158-P322 HydrophobicContact CE2-CG 4.21Å; Y158-P322 WeakPolarHBondContact O-CA 3.28Å; N283-P322 WeakPolarHBondContact O-CD 3.45Å; A284-P322 CarbonylContact C-O 3.5Å; A284-P322 WeakPolarHBondContact CA-O 3.32Å; A284-P322 HydrophobicContact CB-CB 4.32Å; I285-P322 PolarHBondContact N-O 3.44Å
323	L	98.7	Very high	98	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.2	-165.4	177.7	59.8	0	0	0	111.4	Y158 I159 G160 I285 M287 V316 R317 I321 L325	Y158-L323 PolarHBondContact O-N 3.47Å; I159-L323 CarbonylContact C-O 3.59Å; I159-L323 WeakPolarHBondContact CA-O 3.47Å; I159-L323 HydrophobicContact CG1-CB 4.39Å; G160-L323 PolarHBondContact N-O 2.85Å; I285-L323 HydrophobicContact CB-CD1 4Å; I285-L323 HydrophobicContact CG2-CD1 3.75Å; I285-L323 CarbonylContact O-C 3.45Å; I285-L323 WeakPolarHBondContact O-CA 3.41Å; M287-L323 HydrophobicContact CB-CD1 4.04Å; V316-L323 HydrophobicContact CG1-CD1 3.74Å; V316-L323 HydrophobicContact CG1-CD2 4.2Å; R317-L323 HydrophobicContact CB-CD2 4.31Å; I321-L323 PolarHBondContact O-N 3.47Å; L323-L325 HydrophobicContact CD1-CD2 4.05Å; L323-L325 HydrophobicContact CD2-CD2 3.87Å; L323-L325 HydrophobicContact CD2-CG 4.25Å; L323-L325 HydrophobicContact CG-CD2 3.92Å; L323-L325 HydrophobicContact CG-CG 4.16Å
324	L	98.9	Very high	98	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.9	168.3	177.7	54.6	0	0	0	109.3	A148 L152 G160 A187 I285 V286 M287 L326	A148-L324 HydrophobicContact CB-CD1 3.45Å; A148-L324 VanDerWaalsContact CB-CD1 3.45Å; L152-L324 HydrophobicContact CD1-CB 3.9Å; G160-L324 CarbonylContact O-C 3.59Å; G160-L324 WeakPolarHBondContact O-CA 3.14Å; A187-L324 HydrophobicContact CB-CD2 3.74Å; I285-L324 PolarHBondContact O-N 3.12Å; V286-L324 CarbonylContact C-O 3.58Å; V286-L324 WeakPolarHBondContact CA-O 3.46Å; V286-L324 HydrophobicContact CG1-CB 4.37Å; V286-L324 HydrophobicContact CG1-CD2 4.24Å; V286-L324 HydrophobicContact CG1-CG 4.32Å; V286-L324 HydrophobicContact CG2-CB 4.21Å; V286-L324 HydrophobicContact CG2-CD2 4.3Å; M287-L324 PolarHBondContact N-O 3.14Å; L324-L326 HydrophobicContact CD1-CD2 3.82Å; L324-L326 HydrophobicContact CD2-CD1 4.44Å; L324-L326 HydrophobicContact CD2-CD2 4.09Å; L324-L326 HydrophobicContact CD2-CG 4.41Å; L324-L326 HydrophobicContact CG-CD2 3.78Å; L324-L326 HydrophobicContact CG-CG 4.01Å
325	L	98.9	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123	173.3	-62	179.3	0	0	0	109.7	I159 G160 I161 N162 W163 M287 V313 L323 A347	I159-L325 HydrophobicContact CG2-CD1 4.28Å; I159-L325 HydrophobicContact CG2-CG 4.42Å; G160-L325 PolarHBondContact O-N 3.43Å; I161-L325 CarbonylContact C-O 3.51Å; I161-L325 WeakPolarHBondContact CA-O 3.37Å; I161-L325 HydrophobicContact CD1-CD1 4.5Å; I161-L325 HydrophobicContact CG1-CB 4.32Å; I161-L325 HydrophobicContact CG1-CD1 4.28Å; N162-L325 PolarHBondContact N-O 3.04Å; W163-L325 HydrophobicContact CH2-CB 4.16Å; W163-L325 HydrophobicContact CH2-CD1 4.47Å; W163-L325 HydrophobicContact CZ3-CB 4.32Å; M287-L325 HydrophobicContact CB-CD2 4.03Å; M287-L325 HydrophobicContact CG-CD2 4.45Å; M287-L325 HydrophobicContact SD-CD2 4.29Å; V313-L325 HydrophobicContact CG1-CD1 3.99Å; V313-L325 HydrophobicContact CG1-CD2 4.15Å; V313-L325 HydrophobicContact CG2-CD2 4.49Å; L323-L325 HydrophobicContact CD1-CD2 4.05Å; L323-L325 HydrophobicContact CD2-CD2 3.87Å; L323-L325 HydrophobicContact CD2-CG 4.25Å; L323-L325 HydrophobicContact CG-CD2 3.92Å; L323-L325 HydrophobicContact CG-CG 4.16Å; L325-A347 HydrophobicContact CD1-CB 3.86Å
326	L	99	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	161.7	178.4	-58.9	-179.5	0	0	0	110.8	S145 N162 W163 I184 V286 M287 C289 L324	S145-L326 WeakPolarHBondContact OG-CD2 3.46Å; N162-L326 HydrophobicContact CB-CD2 3.87Å; N162-L326 WeakPolarHBondContact O-CA 3.44Å; W163-L326 WeakPolarHBondContact CZ3-O 3.42Å; I184-L326 HydrophobicContact CB-CD1 4.23Å; I184-L326 HydrophobicContact CD1-CD1 4.48Å; I184-L326 HydrophobicContact CG1-CD1 3.77Å; I184-L326 HydrophobicContact CG2-CD1 4.14Å; V286-L326 HydrophobicContact CG1-CD1 3.72Å; V286-L326 HydrophobicContact CG1-CG 4.27Å; M287-L326 PolarHBondContact O-N 2.84Å; C289-L326 VanDerWaalsContact CB-O 3.28Å; C289-L326 WeakPolarHBondContact CB-O 3.45Å; C289-L326 PolarHBondContact N-O 3.4Å; L324-L326 HydrophobicContact CD1-CD2 3.82Å; L324-L326 HydrophobicContact CD2-CD1 4.44Å; L324-L326 HydrophobicContact CD2-CD2 4.09Å; L324-L326 HydrophobicContact CD2-CG 4.41Å; L324-L326 HydrophobicContact CG-CD2 3.78Å; L324-L326 HydrophobicContact CG-CG 4.01Å
327	G	98.9	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.			trans	-70.6	-133.4	171.2	0	0	0	0	0	112.2	N162 G165 Q288 C289 G290	N162-G327 PolarHBondContact O-N 3.32Å; G165-G327 CarbonylContact O-C 3.58Å; G165-G327 VanDerWaalsContact O-CA 3.26Å; G165-G327 WeakPolarHBondContact O-CA 3.2Å; G165-G327 PolarHBondContact O-N 3.26Å; Q288-G327 WeakPolarHBondContact CG-O 3.23Å; C289-G327 CarbonylContact C-O 3.58Å; C289-G327 PolarHBondContact N-O 3.45Å; G290-G327 PolarHBondContact N-O 3.44Å
328	G	98.8	Very high	98.1	Very high	7 Å²	7	19.3 Å²	19.3	7%	0.072	10%	0.097	C	C	.	.			trans	143.7	-155.7	-174.2	0	0	0	0	0	112.9	R46 G165 G166	R46-G328 VanDerWaalsContact CZ-O 3.24Å; R46-G328 PolarHBondContact NH1-O 3.08Å; R46-G328 PolarHBondContact NH2-O 3.32Å; G165-G328 PolarHBondContact O-N 2.92Å; G166-G328 WeakPolarHBondContact O-CA 3.43Å
329	G	98.1	Very high	98.2	Very high	4 Å²	4	17.4 Å²	17.4	4%	0.041	9%	0.088	C	C	.	.			trans	-59	177.4	172.1	0	0	0	0	0	114	R46 D204 A291 D292	R46-G329 VanDerWaalsContact NH1-C 3.28Å; R46-G329 PolarHBondContact NH1-O 3.38Å; D204-G329 WeakPolarHBondContact OD2-CA 3.21Å; D204-G329 PolarHBondContact OD2-N 2.65Å; A291-G329 PolarHBondContact N-O 3.01Å; D292-G329 WeakPolarHBondContact OD2-CA 3.36Å
330	G	98.6	Very high	98.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.			trans	131.7	112.2	178.9	0	0	0	0	0	112	R46 V336	R46-G330 WeakPolarHBondContact CD-O 3.41Å; R46-G330 PolarHBondContact NH1-O 2.96Å; G330-V336 VanDerWaalsContact C-CG2 3.48Å; G330-V336 WeakPolarHBondContact O-CG2 3.29Å
331	Y	98.6	Very high	98.5	Very high	9 Å²	9	9.8 Å²	9.8	4%	0.035	5%	0.049	C	C	.	.			trans	-122.8	-10.8	-163.5	-50.2	-72.9	0	0	0	112.7	V41 M42 F178 D292 D297 R298 L299 I333	V41-Y331 HydrophobicContact CB-CD1 4.07Å; V41-Y331 HydrophobicContact CG2-CD1 3.99Å; V41-Y331 HydrophobicContact CG2-CE1 4.25Å; M42-Y331 HydrophobicContact CE-CE1 4.09Å; F178-Y331 AromaticContact CD2-CE1 3.85Å; F178-Y331 HydrophobicContact CD2-CE1 3.85Å; F178-Y331 AromaticContact CE2-CE1 3.69Å; F178-Y331 HydrophobicContact CE2-CE1 3.69Å; F178-Y331 AromaticContact CE2-CZ 3.83Å; D292-Y331 HydrophobicContact CB-CD2 3.85Å; D292-Y331 HydrophobicContact CB-CE2 3.67Å; D292-Y331 VanDerWaalsContact OD2-CE2 3.28Å; D292-Y331 WeakPolarHBondContact OD2-CE2 3.22Å; D297-Y331 VanDerWaalsContact OD1-CD2 3.3Å; D297-Y331 WeakPolarHBondContact OD1-CD2 3.29Å; D297-Y331 PolarHBondContact OD2-N 3.34Å; R298-Y331 WeakPolarHBondContact CD-O 3.22Å; L299-Y331 HydrophobicContact CB-CD2 3.62Å; L299-Y331 HydrophobicContact CB-CE2 3.88Å; L299-Y331 HydrophobicContact CB-CG 4.43Å; L299-Y331 HydrophobicContact CD1-CD1 3.97Å; L299-Y331 HydrophobicContact CD1-CD2 3.47Å; L299-Y331 VanDerWaalsContact CD1-CD2 3.47Å; L299-Y331 HydrophobicContact CD1-CE1 3.88Å; L299-Y331 HydrophobicContact CD1-CE2 3.38Å; L299-Y331 HydrophobicContact CD1-CG 3.77Å; L299-Y331 HydrophobicContact CG-CD2 3.51Å; L299-Y331 HydrophobicContact CG-CE2 3.9Å; L299-Y331 HydrophobicContact CG-CG 3.85Å; Y331-I333 PolarHBondContact O-N 3.15Å
332	T	98.4	Very high	98.7	Very high	9 Å²	9	10.1 Å²	10.1	6%	0.055	5%	0.049	C	C	.	.	S	Bend	trans	-90.3	83.3	160	-62.3	0	0	0	0	109.5	G296 D297 R298 R334 N335 V336	G296-T332 PolarHBondContact O-OG1 3.35Å; D297-T332 WeakPolarHBondContact CA-OG1 3.45Å; D297-T332 PolarHBondContact OD2-N 3.13Å; R298-T332 PolarHBondContact N-OG1 3.32Å; T332-R334 VanDerWaalsContact C-N 3.26Å; T332-R334 HydrophobicContact CG2-CG 3.91Å; T332-R334 PolarHBondContact O-N 2.84Å; T332-N335 HydrophobicContact CG2-CB 4.17Å; T332-N335 WeakPolarHBondContact O-CA 3.45Å; T332-N335 WeakPolarHBondContact O-CB 3.34Å; T332-N335 PolarHBondContact O-N 3.03Å; T332-V336 PolarHBondContact O-N 2.89Å
333	I	98.1	Very high	98.7	Very high	17 Å²	17	8.8 Å²	8.8	9%	0.087	4%	0.04	C	C	.	.	H	α-helix	trans	-55.5	-32.7	-164.5	66.2	178.2	0	0	0	115.3	K43 R46 M49 Y331 N335 V336 A337 Y364	K43-I333 HydrophobicContact CB-CG2 3.96Å; K43-I333 HydrophobicContact CG-CG2 4.37Å; R46-I333 HydrophobicContact CB-CB 3.86Å; R46-I333 HydrophobicContact CB-CG2 3.91Å; M49-I333 HydrophobicContact CE-CG1 4.34Å; M49-I333 HydrophobicContact SD-CB 4.22Å; M49-I333 HydrophobicContact SD-CD1 3.73Å; M49-I333 HydrophobicContact SD-CG1 3.89Å; Y331-I333 PolarHBondContact O-N 3.15Å; I333-N335 VanDerWaalsContact C-N 3.29Å; I333-N335 PolarHBondContact O-N 3.31Å; I333-V336 PolarHBondContact O-N 2.63Å; I333-A337 PolarHBondContact O-N 2.82Å; I333-Y364 HydrophobicContact CD1-CD1 4.37Å; I333-Y364 HydrophobicContact CD1-CE1 3.99Å
334	R	98.1	Very high	98.7	Very high	83 Å²	83	8.7 Å²	8.7	31%	0.313	4%	0.04	S	C	.	.	H	α-helix	trans	-62.1	-36.8	174.3	63.1	-178	-178.6	-102.2	-2.8	112	T332 R338 Y365 E455	T332-R334 VanDerWaalsContact C-N 3.26Å; T332-R334 HydrophobicContact CG2-CG 3.91Å; T332-R334 PolarHBondContact O-N 2.84Å; R334-R338 WeakPolarHBondContact O-CD 3.38Å; R334-R338 WeakPolarHBondContact O-CG 3.36Å; R334-R338 PolarHBondContact O-N 2.84Å; R334-Y365 HydrophobicContact CB-CD1 4.14Å; R334-Y365 HydrophobicContact CB-CE1 4.04Å; R334-E455 IonicContact NH1-OE1 3.84Å; R334-E455 PolarHBondContact NH1-OE1 3.32Å; R334-E455 IonicContact NH1-OE2 2.65Å
335	N	98.6	Very high	98.6	Very high	13 Å²	13	8.8 Å²	8.8	7%	0.07	4%	0.04	C	C	.	.	H	α-helix	trans	-78.8	-34.5	178.7	-68	-6.4	0	0	0	111.3	L294 T332 I333 R338 C339 I373	L294-N335 HydrophobicContact CD1-CB 4.25Å; T332-N335 HydrophobicContact CG2-CB 4.17Å; T332-N335 WeakPolarHBondContact O-CA 3.45Å; T332-N335 WeakPolarHBondContact O-CB 3.34Å; T332-N335 PolarHBondContact O-N 3.03Å; I333-N335 VanDerWaalsContact C-N 3.29Å; I333-N335 PolarHBondContact O-N 3.31Å; N335-R338 PolarHBondContact O-N 3.42Å; N335-R338 PolarHBondContact OD1-NH1 2.91Å; N335-C339 WeakPolarHBondContact O-CB 3.2Å; N335-C339 PolarHBondContact O-N 2.85Å; N335-I373 HydrophobicContact CB-CD1 4.44Å
336	V	98.9	Very high	98.6	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.006	5%	0.046	C	C	.	.	H	α-helix	trans	-58.2	-50.7	171.4	-179	0	0	0	0	110.7	R46 A291 G330 T332 I333 R338 C339 W340	R46-V336 HydrophobicContact CB-CB 4.37Å; R46-V336 HydrophobicContact CB-CG1 4.23Å; R46-V336 HydrophobicContact CG-CG1 4.04Å; A291-V336 HydrophobicContact CB-CB 4.36Å; A291-V336 HydrophobicContact CB-CG1 4.2Å; A291-V336 HydrophobicContact CB-CG2 4.01Å; G330-V336 VanDerWaalsContact C-CG2 3.48Å; G330-V336 WeakPolarHBondContact O-CG2 3.29Å; T332-V336 PolarHBondContact O-N 2.89Å; I333-V336 PolarHBondContact O-N 2.63Å; V336-R338 VanDerWaalsContact C-N 3.32Å; V336-R338 PolarHBondContact O-N 3.36Å; V336-C339 PolarHBondContact O-N 3.41Å; V336-C339 VanDerWaalsContact O-N 3.13Å; V336-W340 HydrophobicContact CG1-CD2 3.6Å; V336-W340 HydrophobicContact CG1-CE3 3.5Å; V336-W340 VanDerWaalsContact CG1-CE3 3.5Å; V336-W340 HydrophobicContact CG1-CG 4.44Å; V336-W340 HydrophobicContact CG1-CH2 3.59Å; V336-W340 HydrophobicContact CG1-CZ2 3.64Å; V336-W340 HydrophobicContact CG1-CZ3 3.5Å; V336-W340 VanDerWaalsContact CG1-CZ3 3.5Å; V336-W340 PolarHBondContact O-N 3.08Å
337	A	98.7	Very high	98.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58.6	-43.9	178.8	0	0	0	0	0	111.9	M49 A50 L53 I333 T341 Y365	M49-A337 HydrophobicContact CB-CB 3.64Å; M49-A337 HydrophobicContact CE-CB 4.44Å; A50-A337 HydrophobicContact CB-CB 4.49Å; L53-A337 HydrophobicContact CD1-CB 4.05Å; I333-A337 PolarHBondContact O-N 2.82Å; A337-T341 WeakPolarHBondContact O-CB 3.49Å; A337-T341 PolarHBondContact O-N 3.21Å; A337-T341 VanDerWaalsContact O-N 3.16Å; A337-T341 PolarHBondContact O-OG1 2.72Å; A337-Y365 HydrophobicContact CB-CE1 4.47Å; A337-Y365 WeakPolarHBondContact CB-OH 3.45Å
338	R	98.8	Very high	98.3	Very high	4 Å²	4	10 Å²	10	2%	0.015	5%	0.047	C	C	.	.	H	α-helix	trans	-62.4	-43.4	175	-70.2	165	164.9	140.4	-2.3	112.3	I306 R334 N335 V336 Y342 Y365 D368 C370 L371	I306-R338 HydrophobicContact CD1-CB 3.4Å; I306-R338 HydrophobicContact CD1-CG 4.35Å; R334-R338 WeakPolarHBondContact O-CD 3.38Å; R334-R338 WeakPolarHBondContact O-CG 3.36Å; R334-R338 PolarHBondContact O-N 2.84Å; N335-R338 PolarHBondContact O-N 3.42Å; N335-R338 PolarHBondContact OD1-NH1 2.91Å; V336-R338 VanDerWaalsContact C-N 3.32Å; V336-R338 PolarHBondContact O-N 3.36Å; R338-Y342 WeakPolarHBondContact O-CB 3.49Å; R338-Y342 PolarHBondContact O-N 2.78Å; R338-Y365 HydrophobicContact CG-CD1 4.38Å; R338-Y365 HydrophobicContact CG-CE1 4.25Å; R338-D368 IonicContact CZ-OD2 2.83Å; R338-D368 VanDerWaalsContact NH2-CG 3.26Å; R338-D368 IonicContact NH2-OD1 2.73Å; R338-D368 PolarHBondContact NH2-OD1 2.89Å; R338-D368 IonicContact NH2-OD2 3.99Å; R338-D368 PolarHBondContact NH2-OD2 3.37Å; R338-C370 PolarHBondContact NE-O 2.86Å; R338-C370 PolarHBondContact NH2-O 3.26Å; R338-L371 HydrophobicContact CB-CD1 4.08Å; R338-L371 WeakPolarHBondContact CB-O 3.46Å; R338-L371 WeakPolarHBondContact CD-O 3.48Å; R338-L371 HydrophobicContact CG-CD1 4.43Å; R338-L371 WeakPolarHBondContact O-CD1 3.45Å
339	C	98.9	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.4	-58.7	-177.5	-167.6	0	0	0	0	111.9	A291 L294 I306 H309 N335 V336 T341 Y342 E343	A291-C339 HydrophobicContact CB-CB 4.46Å; L294-C339 HydrophobicContact CD1-CB 3.68Å; I306-C339 HydrophobicContact CG1-CB 4.22Å; H309-C339 PolarHBondContact ND1-SG 2.78Å; N335-C339 WeakPolarHBondContact O-CB 3.2Å; N335-C339 PolarHBondContact O-N 2.85Å; V336-C339 PolarHBondContact O-N 3.41Å; V336-C339 VanDerWaalsContact O-N 3.13Å; C339-T341 PolarHBondContact O-N 3.08Å; C339-Y342 WeakPolarHBondContact O-CA 3.22Å; C339-Y342 WeakPolarHBondContact O-CB 3.27Å; C339-Y342 PolarHBondContact O-N 2.83Å; C339-E343 WeakPolarHBondContact O-CG 3.39Å; C339-E343 PolarHBondContact O-N 2.82Å
340	W	98.9	Very high	97.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-32.5	-178.7	-65.9	-19.2	0	0	0	112.2	R46 M47 A50 W163 C289 V336 E343 T344	R46-W340 HydrophobicContact CG-CH2 4.36Å; R46-W340 HydrophobicContact CG-CZ3 4.09Å; R46-W340 VanDerWaalsContact NH1-CH2 3.32Å; M47-W340 HydrophobicContact CG-CZ3 3.94Å; A50-W340 HydrophobicContact CB-CB 4.29Å; A50-W340 HydrophobicContact CB-CE3 4.08Å; W163-W340 HydrophobicContact CB-CD2 4.24Å; W163-W340 HydrophobicContact CB-CE3 3.81Å; W163-W340 HydrophobicContact CB-CZ3 4.1Å; W163-W340 HydrophobicContact CD2-CB 3.82Å; W163-W340 HydrophobicContact CD2-CD2 4.16Å; W163-W340 AromaticContact CD2-CG 3.84Å; W163-W340 HydrophobicContact CD2-CG 3.84Å; W163-W340 HydrophobicContact CE3-CB 4.25Å; W163-W340 AromaticContact CE3-CD1 3.8Å; W163-W340 HydrophobicContact CE3-CD2 4.11Å; W163-W340 AromaticContact CE3-CG 3.83Å; W163-W340 HydrophobicContact CE3-CG 3.83Å; W163-W340 HydrophobicContact CG-CB 4.13Å; W163-W340 HydrophobicContact CG-CD2 4.24Å; W163-W340 HydrophobicContact CG-CE3 4.16Å; W163-W340 HydrophobicContact CG-CG 4.26Å; W163-W340 HydrophobicContact CZ2-CB 4.12Å; W163-W340 WeakPolarHBondContact CZ2-O 3.33Å; W163-W340 AromaticContact CZ3-CD1 3.84Å; W163-W340 HydrophobicContact CZ3-CG 4.23Å; C289-W340 PolarHBondContact O-NE1 2.74Å; V336-W340 HydrophobicContact CG1-CD2 3.6Å; V336-W340 HydrophobicContact CG1-CE3 3.5Å; V336-W340 VanDerWaalsContact CG1-CE3 3.5Å; V336-W340 HydrophobicContact CG1-CG 4.44Å; V336-W340 HydrophobicContact CG1-CH2 3.59Å; V336-W340 HydrophobicContact CG1-CZ2 3.64Å; V336-W340 HydrophobicContact CG1-CZ3 3.5Å; V336-W340 VanDerWaalsContact CG1-CZ3 3.5Å; V336-W340 PolarHBondContact O-N 3.08Å; W340-E343 PolarHBondContact O-N 3.44Å; W340-T344 WeakPolarHBondContact O-CB 3.3Å; W340-T344 PolarHBondContact O-N 3.19Å; W340-T344 PolarHBondContact O-OG1 3.06Å
341	T	98.9	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.2	-47.7	171	-61.7	0	0	0	0	112.2	A50 L53 I54 Y57 L59 A337 C339 E343 T344 S345 L371	A50-T341 PolarHBondContact O-OG1 2.86Å; L53-T341 HydrophobicContact CB-CG2 3.94Å; L53-T341 WeakPolarHBondContact CB-OG1 3.42Å; I54-T341 HydrophobicContact CG1-CG2 4.23Å; Y57-T341 HydrophobicContact CD2-CG2 3.49Å; Y57-T341 VanDerWaalsContact CD2-CG2 3.49Å; Y57-T341 HydrophobicContact CE2-CG2 3.8Å; L59-T341 HydrophobicContact CD1-CG2 4.4Å; A337-T341 WeakPolarHBondContact O-CB 3.49Å; A337-T341 PolarHBondContact O-N 3.21Å; A337-T341 VanDerWaalsContact O-N 3.16Å; A337-T341 PolarHBondContact O-OG1 2.72Å; C339-T341 PolarHBondContact O-N 3.08Å; T341-E343 VanDerWaalsContact C-N 3.33Å; T341-T344 PolarHBondContact O-N 2.99Å; T341-S345 PolarHBondContact O-N 2.9Å; T341-S345 VanDerWaalsContact O-N 3.07Å; T341-L371 HydrophobicContact CG2-CD1 4.42Å
342	Y	98.9	Very high	97.7	Very high	35 Å²	35	23.3 Å²	23.3	14%	0.137	12%	0.124	C	C	.	.	H	α-helix	trans	-64.2	-40	178.1	-178.9	-116.3	0	0	0	111.2	I306 R338 C339 S345 L346 V352 L371 H372	I306-Y342 HydrophobicContact CG2-CD1 3.52Å; I306-Y342 HydrophobicContact CG2-CE1 4.41Å; I306-Y342 HydrophobicContact CG2-CG 3.75Å; I306-Y342 WeakPolarHBondContact O-CD1 3.27Å; R338-Y342 WeakPolarHBondContact O-CB 3.49Å; R338-Y342 PolarHBondContact O-N 2.78Å; C339-Y342 WeakPolarHBondContact O-CA 3.22Å; C339-Y342 WeakPolarHBondContact O-CB 3.27Å; C339-Y342 PolarHBondContact O-N 2.83Å; Y342-S345 WeakPolarHBondContact O-CA 3.39Å; Y342-S345 VanDerWaalsContact O-CB 3.3Å; Y342-S345 WeakPolarHBondContact O-CB 3.2Å; Y342-S345 PolarHBondContact O-N 2.82Å; Y342-S345 VanDerWaalsContact O-N 3.08Å; Y342-S345 PolarHBondContact O-OG 3.44Å; Y342-L346 HydrophobicContact CD1-CD1 4.1Å; Y342-L346 HydrophobicContact CE1-CD1 3.77Å; Y342-L346 HydrophobicContact CE1-CG 4.31Å; Y342-L346 WeakPolarHBondContact O-CG 2.97Å; Y342-L346 PolarHBondContact O-N 3.21Å; Y342-V352 HydrophobicContact CD2-CG2 4.32Å; Y342-L371 HydrophobicContact CD2-CD2 3.9Å; Y342-L371 HydrophobicContact CG-CD2 4.41Å; Y342-H372 AromaticContact CD2-CE1 3.63Å; Y342-H372 AromaticContact CE2-CE1 3.48Å; Y342-H372 VanDerWaalsContact CE2-CE1 3.48Å; Y342-H372 WeakPolarHBondContact CE2-CE1 3.2Å; Y342-H372 AromaticContact CE2-NE2 3.94Å; Y342-H372 AromaticContact CG-CE1 3.98Å; Y342-H372 AromaticContact CZ-CE1 3.7Å
343	E	98.9	Very high	97.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.5	-36.4	178	-69	176	140.6	0	0	112.8	W163 H309 V313 C339 W340 T341 S345 L346 A347	W163-E343 HydrophobicContact CH2-CB 3.93Å; W163-E343 HydrophobicContact CZ2-CB 4.13Å; H309-E343 IonicContact CE1-OE1 3.68Å; H309-E343 PolarHBondContact CE1-OE1 3.36Å; H309-E343 VanDerWaalsContact CE1-OE1 3.31Å; H309-E343 IonicContact CG-OE1 2.78Å; H309-E343 IonicContact ND1-OE1 3.4Å; H309-E343 PolarHBondContact ND1-OE1 3Å; H309-E343 IonicContact ND1-OE2 3.33Å; V313-E343 HydrophobicContact CB-CG 4.45Å; V313-E343 HydrophobicContact CG2-CB 4.33Å; V313-E343 HydrophobicContact CG2-CG 3.96Å; V313-E343 WeakPolarHBondContact CG2-OE1 3.31Å; C339-E343 WeakPolarHBondContact O-CG 3.39Å; C339-E343 PolarHBondContact O-N 2.82Å; W340-E343 PolarHBondContact O-N 3.44Å; T341-E343 VanDerWaalsContact C-N 3.33Å; E343-S345 VanDerWaalsContact C-N 3.27Å; E343-S345 PolarHBondContact O-N 3.42Å; E343-L346 WeakPolarHBondContact O-CB 3.32Å; E343-L346 PolarHBondContact O-N 3.29Å; E343-L346 VanDerWaalsContact O-N 3.17Å; E343-A347 PolarHBondContact O-N 3.22Å
344	T	98.7	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.3	-40.6	167.9	-59.5	0	0	0	0	111.1	I54 L59 M63 I161 W163 W340 T341 L346 A347 V348	I54-T344 HydrophobicContact CD1-CG2 4.37Å; I54-T344 WeakPolarHBondContact CD1-OG1 3.45Å; I54-T344 HydrophobicContact CG1-CG2 4.37Å; I54-T344 HydrophobicContact CG2-CG2 4.02Å; L59-T344 HydrophobicContact CB-CG2 4.46Å; L59-T344 HydrophobicContact CD1-CG2 4.1Å; M63-T344 HydrophobicContact CE-CG2 3.79Å; M63-T344 HydrophobicContact SD-CG2 3.79Å; I161-T344 HydrophobicContact CD1-CG2 4.15Å; W163-T344 WeakPolarHBondContact CZ2-OG1 3.18Å; W163-T344 PolarHBondContact NE1-OG1 3.34Å; W340-T344 WeakPolarHBondContact O-CB 3.3Å; W340-T344 PolarHBondContact O-N 3.19Å; W340-T344 PolarHBondContact O-OG1 3.06Å; T341-T344 PolarHBondContact O-N 2.99Å; T344-L346 VanDerWaalsContact C-N 3.27Å; T344-L346 PolarHBondContact O-N 3.14Å; T344-A347 WeakPolarHBondContact O-CB 3.45Å; T344-A347 PolarHBondContact O-N 2.86Å; T344-V348 WeakPolarHBondContact O-CG2 3.32Å; T344-V348 PolarHBondContact O-N 3.37Å
345	S	97.9	Very high	97.7	Very high	2 Å²	2	33 Å²	33	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-36.7	176.6	86.6	0	0	0	0	112.3	T341 Y342 E343 G349 K350	T341-S345 PolarHBondContact O-N 2.9Å; T341-S345 VanDerWaalsContact O-N 3.07Å; Y342-S345 WeakPolarHBondContact O-CA 3.39Å; Y342-S345 VanDerWaalsContact O-CB 3.3Å; Y342-S345 WeakPolarHBondContact O-CB 3.2Å; Y342-S345 PolarHBondContact O-N 2.82Å; Y342-S345 VanDerWaalsContact O-N 3.08Å; Y342-S345 PolarHBondContact O-OG 3.44Å; E343-S345 VanDerWaalsContact C-N 3.27Å; E343-S345 PolarHBondContact O-N 3.42Å; S345-G349 PolarHBondContact O-N 3.06Å; S345-K350 WeakPolarHBondContact CB-O 3.35Å; S345-K350 PolarHBondContact O-N 3.23Å
346	L	97.4	Very high	97.6	Very high	24 Å²	24	32.8 Å²	32.8	13%	0.126	18%	0.177	C	C	.	.	H	α-helix	trans	-69.7	-41.9	175.3	-63.7	173.2	0	0	0	111.6	G310 V313 K314 R317 Y342 E343 T344 G349	G310-L346 WeakPolarHBondContact O-CD1 3.35Å; V313-L346 HydrophobicContact CG1-CB 4.47Å; K314-L346 HydrophobicContact CB-CD1 4.33Å; R317-L346 WeakPolarHBondContact CD-O 3.46Å; R317-L346 PolarHBondContact NE-O 3.47Å; Y342-L346 HydrophobicContact CD1-CD1 4.1Å; Y342-L346 HydrophobicContact CE1-CD1 3.77Å; Y342-L346 HydrophobicContact CE1-CG 4.31Å; Y342-L346 WeakPolarHBondContact O-CG 2.97Å; Y342-L346 PolarHBondContact O-N 3.21Å; E343-L346 WeakPolarHBondContact O-CB 3.32Å; E343-L346 PolarHBondContact O-N 3.29Å; E343-L346 VanDerWaalsContact O-N 3.17Å; T344-L346 VanDerWaalsContact C-N 3.27Å; T344-L346 PolarHBondContact O-N 3.14Å; L346-G349 PolarHBondContact O-N 3.41Å; L346-G349 VanDerWaalsContact O-N 3.16Å
347	A	97	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.6	-52.3	176.5	0	0	0	0	0	111.5	I159 I161 R317 L325 E343 T344 G349	I159-A347 HydrophobicContact CG2-CB 4.3Å; I161-A347 HydrophobicContact CD1-CB 3.79Å; R317-A347 PolarHBondContact NE-O 3.06Å; L325-A347 HydrophobicContact CD1-CB 3.86Å; E343-A347 PolarHBondContact O-N 3.22Å; T344-A347 WeakPolarHBondContact O-CB 3.45Å; T344-A347 PolarHBondContact O-N 2.86Å; A347-G349 PolarHBondContact O-N 3.06Å
348	V	95.9	Very high	97.5	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-75.9	-7.6	178.7	-54	0	0	0	0	113.6	F19 V23 L59 D62 M63 T344 K350	F19-V348 WeakPolarHBondContact CG-O 3.11Å; V23-V348 HydrophobicContact CB-CG1 4.26Å; V23-V348 HydrophobicContact CG1-CG1 4.14Å; V23-V348 HydrophobicContact CG2-CG1 4.13Å; L59-V348 HydrophobicContact CD2-CG2 4.11Å; D62-V348 HydrophobicContact CB-CB 4.14Å; D62-V348 HydrophobicContact CB-CG1 4.4Å; D62-V348 HydrophobicContact CB-CG2 4.29Å; M63-V348 HydrophobicContact CB-CG1 4.13Å; M63-V348 HydrophobicContact CG-CG1 4.45Å; M63-V348 HydrophobicContact SD-CG1 4.1Å; T344-V348 WeakPolarHBondContact O-CG2 3.32Å; T344-V348 PolarHBondContact O-N 3.37Å; V348-K350 HydrophobicContact CG2-CB 3.73Å
349	G	94	Very high	97.3	Very high	44 Å²	44	43.4 Å²	43.4	45%	0.454	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	29.2	179.3	0	0	0	0	0	114.4	S345 L346 A347	S345-G349 PolarHBondContact O-N 3.06Å; L346-G349 PolarHBondContact O-N 3.41Å; L346-G349 VanDerWaalsContact O-N 3.16Å; A347-G349 PolarHBondContact O-N 3.06Å
350	K	94.1	Very high	97.2	Very high	69 Å²	69	47.3 Å²	47.3	30%	0.3	24%	0.242	S	C	.	.			trans	-111.6	126.2	-177.7	-176.9	167.2	171.9	-173.3	0	111.5	G58 L59 D62 S345 V348	G58-K350 PolarHBondContact O-NZ 3.18Å; G58-K350 VanDerWaalsContact O-NZ 3.08Å; L59-K350 HydrophobicContact CD2-CB 4.17Å; L59-K350 HydrophobicContact CD2-CD 3.85Å; L59-K350 HydrophobicContact CD2-CG 4.2Å; D62-K350 WeakPolarHBondContact OD2-CD 3.48Å; D62-K350 WeakPolarHBondContact OD2-CE 3.49Å; D62-K350 IonicContact OD2-NZ 2.66Å; D62-K350 PolarHBondContact OD2-NZ 2.97Å; S345-K350 WeakPolarHBondContact CB-O 3.35Å; S345-K350 PolarHBondContact O-N 3.23Å; V348-K350 HydrophobicContact CG2-CB 3.73Å
351	N	95.5	Very high	97.1	Very high	163 Å²	163	47.8 Å²	47.8	87%	0.872	24%	0.244	S	C	*	.			trans	-73.7	128.8	171.8	-69.9	-39.3	0	0	0	110.4
352	V	96.9	Very high	96.9	Very high	23 Å²	23	49.8 Å²	49.8	14%	0.139	25%	0.253	C	S	.	.			trans	-111.4	145.4	175.1	-68	0	0	0	0	110.9	Y57 L59 Y342 L371	Y57-V352 HydrophobicContact CD1-CB 3.78Å; Y57-V352 HydrophobicContact CD1-CG1 3.88Å; Y57-V352 HydrophobicContact CE1-CB 3.89Å; Y57-V352 HydrophobicContact CE1-CG1 4.49Å; Y57-V352 HydrophobicContact CG-CB 4.26Å; Y57-V352 HydrophobicContact CG-CG1 4Å; L59-V352 HydrophobicContact CD2-CG1 3.77Å; L59-V352 HydrophobicContact CG-CG1 4.42Å; Y342-V352 HydrophobicContact CD2-CG2 4.32Å; V352-L371 HydrophobicContact CG2-CD2 3.62Å
353	P	97.9	Very high	96.8	Very high	83 Å²	83	54.2 Å²	54.2	54%	0.539	28%	0.279	S	S	.	.			trans	-68.9	156.3	176.2	28.5	-32.4	0	0	0	111	Y57 K355	Y57-P353 HydrophobicContact CD1-CG 4.46Å; Y57-P353 HydrophobicContact CE1-CG 3.95Å; Y57-P353 WeakPolarHBondContact CE1-O 3.39Å; Y57-P353 PolarHBondContact OH-O 3.08Å; Y57-P353 VanDerWaalsContact OH-O 3.07Å; P353-K355 PolarHBondContact O-N 2.92Å
354	N	98.3	Very high	96.7	Very high	65 Å²	65	57.4 Å²	57.4	35%	0.348	29%	0.291	S	S	.	.	S	Bend	trans	-69.2	-20.3	176.4	-170.1	39.1	0	0	0	113	C370 L371 H372	N354-C370 CarbonylContact O-C 3.58Å; N354-C370 VanDerWaalsContact O-CA 3.25Å; N354-C370 WeakPolarHBondContact O-CA 3.41Å; N354-L371 PolarHBondContact O-N 3.03Å; N354-L371 PolarHBondContact OD1-N 3.04Å; N354-H372 WeakPolarHBondContact OD1-CB 3.44Å; N354-H372 PolarHBondContact OD1-CD2 3.07Å; N354-H372 PolarHBondContact OD1-N 3.4Å
355	K	98	Very high	96.6	Very high	165 Å²	165	57.5 Å²	57.5	72%	0.717	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-77	124.3	178.4	-178.9	179.5	178.5	-178.6	0	109.4	Y57 P353	Y57-K355 PolarHBondContact OH-O 2.89Å; P353-K355 PolarHBondContact O-N 2.92Å
356	L	98.3	Very high	96.4	Very high	8 Å²	8	61.9 Å²	61.9	4%	0.042	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-65.1	140.6	177.2	-69.6	170.9	0	0	0	111.6	L53 Y57 Y365 N369 C370 L371	L53-L356 HydrophobicContact CD1-CD2 4.04Å; L53-L356 HydrophobicContact CD2-CD2 3.87Å; Y57-L356 HydrophobicContact CE2-CD2 4.09Å; L356-Y365 VanDerWaalsContact CD1-CB 3.49Å; L356-Y365 HydrophobicContact CD1-CD1 3.78Å; L356-Y365 HydrophobicContact CD1-CD2 3.96Å; L356-Y365 HydrophobicContact CD1-CG 3.46Å; L356-Y365 VanDerWaalsContact CD1-CG 3.46Å; L356-N369 PolarHBondContact N-O 2.91Å; L356-C370 WeakPolarHBondContact CD1-O 3.14Å; L356-L371 HydrophobicContact CD2-CB 4.21Å; L356-L371 HydrophobicContact CD2-CD1 4.05Å
357	P	97.4	Very high	96.2	Very high	27 Å²	27	66.5 Å²	66.5	18%	0.175	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-66.9	160	167	32	-36.5	0	0	0	110.1	L53 G56 Y57 T359	L53-P357 HydrophobicContact CD2-CG 4.27Å; G56-P357 VanDerWaalsContact C-CG 3.42Å; G56-P357 VanDerWaalsContact O-CB 3.28Å; G56-P357 WeakPolarHBondContact O-CB 3.33Å; Y57-P357 HydrophobicContact CD1-CG 4.41Å; Y57-P357 HydrophobicContact CD2-CG 4.01Å; Y57-P357 VanDerWaalsContact CE2-CD 3.48Å; Y57-P357 HydrophobicContact CE2-CG 4.16Å; Y57-P357 HydrophobicContact CG-CG 4.15Å; Y57-P357 VanDerWaalsContact CZ-CD 3.42Å; P357-T359 HydrophobicContact CG-CG2 4.48Å
358	Y	96.4	Very high	96	Very high	191 Å²	191	70.1 Å²	70.1	75%	0.749	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-74.9	131.8	171.6	-172.2	-88.2	0	0	0	109.7	H362	Y358-H362 HydrophobicContact CD2-CB 4.1Å; Y358-H362 AromaticContact CD2-CG 3.89Å; Y358-H362 HydrophobicContact CE2-CB 4Å
359	T	96.3	Very high	95.9	Very high	10 Å²	10	71.8 Å²	71.8	6%	0.061	37%	0.374	C	S	.	.			trans	-141	171	176.2	66.8	0	0	0	0	109.3	A52 L53 P357 Y361 H362	A52-T359 HydrophobicContact CB-CG2 4.37Å; A52-T359 WeakPolarHBondContact O-CG2 3.35Å; L53-T359 HydrophobicContact CD2-CG2 4Å; P357-T359 HydrophobicContact CG-CG2 4.48Å; T359-Y361 PolarHBondContact O-N 3.03Å; T359-Y361 PolarHBondContact OG1-N 3.3Å; T359-H362 WeakPolarHBondContact O-CB 3.43Å; T359-H362 PolarHBondContact O-N 3.42Å; T359-H362 VanDerWaalsContact O-N 3.11Å
360	E	95.8	Very high	96.1	Very high	82 Å²	82	71.5 Å²	71.5	38%	0.383	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-11.4	177.2	71.4	-93.1	-166.9	0	0	114.4
361	Y	96.7	Very high	96.3	Very high	10 Å²	10	68.2 Å²	68.2	4%	0.039	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	15.2	177.2	-48.5	-71	0	0	0	113.2	H45 R48 M49 A52 T359 D363 Y364 Y365	H45-Y361 AromaticContact CE1-CE1 3.54Å; H45-Y361 AromaticContact NE2-CD1 3.62Å; H45-Y361 AromaticContact NE2-CE1 3.27Å; H45-Y361 VanDerWaalsContact NE2-CE1 3.27Å; H45-Y361 WeakPolarHBondContact NE2-CE1 3.24Å; R48-Y361 WeakPolarHBondContact CD-OH 3.36Å; R48-Y361 HydrophobicContact CG-CE2 4.17Å; R48-Y361 VanDerWaalsContact CG-OH 3.29Å; R48-Y361 WeakPolarHBondContact CG-OH 3.41Å; M49-Y361 HydrophobicContact CB-CD2 4.41Å; M49-Y361 HydrophobicContact CG-CD1 4.1Å; M49-Y361 HydrophobicContact CG-CD2 4.15Å; M49-Y361 HydrophobicContact CG-CG 3.95Å; A52-Y361 HydrophobicContact CB-CD2 3.76Å; A52-Y361 HydrophobicContact CB-CE2 3.62Å; T359-Y361 PolarHBondContact O-N 3.03Å; T359-Y361 PolarHBondContact OG1-N 3.3Å; Y361-D363 PolarHBondContact O-N 2.98Å; Y361-D363 VanDerWaalsContact O-N 3.08Å; Y361-Y364 HydrophobicContact CD1-CD2 4.49Å; Y361-Y364 HydrophobicContact CD1-CE2 4.36Å; Y361-Y364 WeakPolarHBondContact O-CB 3.32Å; Y361-Y364 PolarHBondContact O-N 3.16Å; Y361-Y365 WeakPolarHBondContact O-CD2 3.28Å; Y361-Y365 VanDerWaalsContact O-CE2 3.29Å; Y361-Y365 WeakPolarHBondContact O-CE2 3.12Å
362	H	94.9	Very high	96.4	Very high	41 Å²	41	61.6 Å²	61.6	19%	0.19	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-49.7	-40	-174.3	-172.8	65	0	0	0	113.5	Y358 T359 Y364 Y365 N369	Y358-H362 HydrophobicContact CD2-CB 4.1Å; Y358-H362 AromaticContact CD2-CG 3.89Å; Y358-H362 HydrophobicContact CE2-CB 4Å; T359-H362 WeakPolarHBondContact O-CB 3.43Å; T359-H362 PolarHBondContact O-N 3.42Å; T359-H362 VanDerWaalsContact O-N 3.11Å; H362-Y364 PolarHBondContact O-N 2.97Å; H362-Y365 PolarHBondContact O-N 3.28Å; H362-N369 VanDerWaalsContact CE1-CG 3.43Å; H362-N369 PolarHBondContact CE1-OD1 2.76Å; H362-N369 PolarHBondContact NE2-ND2 3.39Å
363	D	96.2	Very high	96.5	Very high	129 Å²	129	61.7 Å²	61.7	69%	0.69	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-63.6	-22.6	-177.9	-65	-21	0	0	0	113.8	Y361 Y365	Y361-D363 PolarHBondContact O-N 2.98Å; Y361-D363 VanDerWaalsContact O-N 3.08Å; D363-Y365 PolarHBondContact O-N 3.43Å
364	Y	96.9	Very high	96.4	Very high	67 Å²	67	61.6 Å²	61.6	26%	0.263	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-68	-14.7	175.4	-78.4	-100.7	0	0	0	113.5	M49 I333 Y361 H362	M49-Y364 HydrophobicContact CE-CD1 3.79Å; M49-Y364 HydrophobicContact CE-CG 3.79Å; M49-Y364 HydrophobicContact SD-CD1 4.43Å; I333-Y364 HydrophobicContact CD1-CD1 4.37Å; I333-Y364 HydrophobicContact CD1-CE1 3.99Å; Y361-Y364 HydrophobicContact CD1-CD2 4.49Å; Y361-Y364 HydrophobicContact CD1-CE2 4.36Å; Y361-Y364 WeakPolarHBondContact O-CB 3.32Å; Y361-Y364 PolarHBondContact O-N 3.16Å; H362-Y364 PolarHBondContact O-N 2.97Å
365	Y	97	Very high	96.3	Very high	2 Å²	2	62 Å²	62	1%	0.008	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-112.7	5.1	-173.7	-48.9	-72.2	0	0	0	113.5	M49 L53 R334 A337 R338 L356 Y361 H362 D363 D368 N369	M49-Y365 HydrophobicContact CE-CE1 4.27Å; M49-Y365 WeakPolarHBondContact CE-OH 3.39Å; L53-Y365 HydrophobicContact CD1-CE1 4.08Å; L53-Y365 HydrophobicContact CD1-CE2 4.36Å; L53-Y365 WeakPolarHBondContact CD1-OH 3.42Å; L53-Y365 HydrophobicContact CD2-CE2 4.19Å; L53-Y365 HydrophobicContact CG-CE2 4.43Å; R334-Y365 HydrophobicContact CB-CD1 4.14Å; R334-Y365 HydrophobicContact CB-CE1 4.04Å; A337-Y365 HydrophobicContact CB-CE1 4.47Å; A337-Y365 WeakPolarHBondContact CB-OH 3.45Å; R338-Y365 HydrophobicContact CG-CD1 4.38Å; R338-Y365 HydrophobicContact CG-CE1 4.25Å; L356-Y365 VanDerWaalsContact CD1-CB 3.49Å; L356-Y365 HydrophobicContact CD1-CD1 3.78Å; L356-Y365 HydrophobicContact CD1-CD2 3.96Å; L356-Y365 HydrophobicContact CD1-CG 3.46Å; L356-Y365 VanDerWaalsContact CD1-CG 3.46Å; Y361-Y365 WeakPolarHBondContact O-CD2 3.28Å; Y361-Y365 VanDerWaalsContact O-CE2 3.29Å; Y361-Y365 WeakPolarHBondContact O-CE2 3.12Å; H362-Y365 PolarHBondContact O-N 3.28Å; D363-Y365 PolarHBondContact O-N 3.43Å; Y365-D368 PolarHBondContact O-N 3.41Å; Y365-D368 VanDerWaalsContact O-OD1 3.04Å; Y365-N369 WeakPolarHBondContact O-CA 3.3Å; Y365-N369 PolarHBondContact O-N 3.1Å; Y365-N369 PolarHBondContact O-OD1 3.19Å
366	I	93.4	Very high	96.3	Very high	94 Å²	94	56.5 Å²	56.5	48%	0.482	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	143	173.6	-66.6	178.4	0	0	0	109
367	P	94.3	Very high	96.2	Very high	121 Å²	121	64 Å²	64	79%	0.786	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.2	-11.5	8.3	36.3	-35.7	0	0	0	115.6
368	D	91.3	Very high	96.2	Very high	75 Å²	75	66.6 Å²	66.6	40%	0.401	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-34.7	-168.8	66.2	-70.3	0	0	0	113	R338 Y365 C370	R338-D368 IonicContact CZ-OD2 2.83Å; R338-D368 VanDerWaalsContact NH2-CG 3.26Å; R338-D368 IonicContact NH2-OD1 2.73Å; R338-D368 PolarHBondContact NH2-OD1 2.89Å; R338-D368 IonicContact NH2-OD2 3.99Å; R338-D368 PolarHBondContact NH2-OD2 3.37Å; Y365-D368 PolarHBondContact O-N 3.41Å; Y365-D368 VanDerWaalsContact O-OD1 3.04Å; D368-C370 PolarHBondContact O-N 2.7Å; D368-C370 VanDerWaalsContact O-N 3.11Å; D368-C370 PolarHBondContact O-SG 3.44Å; D368-C370 WeakPolarHBondContact OD2-CB 3.49Å; D368-C370 PolarHBondContact OD2-N 2.89Å; D368-C370 VanDerWaalsContact OD2-N 3.08Å
369	N	94.7	Very high	96.2	Very high	39 Å²	39	63 Å²	63	21%	0.209	36%	0.357	C	S	.	.			trans	49.2	34	-177	-76.1	-42.2	0	0	0	113.5	L356 H362 Y365	L356-N369 PolarHBondContact N-O 2.91Å; H362-N369 VanDerWaalsContact CE1-CG 3.43Å; H362-N369 PolarHBondContact CE1-OD1 2.76Å; H362-N369 PolarHBondContact NE2-ND2 3.39Å; Y365-N369 WeakPolarHBondContact O-CA 3.3Å; Y365-N369 PolarHBondContact O-N 3.1Å; Y365-N369 PolarHBondContact O-OD1 3.19Å
370	C	97.6	Very high	96.3	Very high	37 Å²	37	64.5 Å²	64.5	25%	0.25	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-110.2	150.5	-178.8	-71.8	0	0	0	0	111.5	R338 N354 L356 D368	R338-C370 PolarHBondContact NE-O 2.86Å; R338-C370 PolarHBondContact NH2-O 3.26Å; N354-C370 CarbonylContact O-C 3.58Å; N354-C370 VanDerWaalsContact O-CA 3.25Å; N354-C370 WeakPolarHBondContact O-CA 3.41Å; L356-C370 WeakPolarHBondContact CD1-O 3.14Å; D368-C370 PolarHBondContact O-N 2.7Å; D368-C370 VanDerWaalsContact O-N 3.11Å; D368-C370 PolarHBondContact O-SG 3.44Å; D368-C370 WeakPolarHBondContact OD2-CB 3.49Å; D368-C370 PolarHBondContact OD2-N 2.89Å; D368-C370 VanDerWaalsContact OD2-N 3.08Å
371	L	98.5	Very high	96.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	36%	0.359	C	S	.	.	S	Bend	trans	-71.8	-47.6	174	-176.5	61.8	0	0	0	110.6	Y57 I306 R338 T341 Y342 V352 N354 L356	Y57-L371 HydrophobicContact CE2-CD1 4.14Å; Y57-L371 HydrophobicContact CE2-CD2 4.4Å; I306-L371 WeakPolarHBondContact CD1-O 3.15Å; R338-L371 HydrophobicContact CB-CD1 4.08Å; R338-L371 WeakPolarHBondContact CB-O 3.46Å; R338-L371 WeakPolarHBondContact CD-O 3.48Å; R338-L371 HydrophobicContact CG-CD1 4.43Å; R338-L371 WeakPolarHBondContact O-CD1 3.45Å; T341-L371 HydrophobicContact CG2-CD1 4.42Å; Y342-L371 HydrophobicContact CD2-CD2 3.9Å; Y342-L371 HydrophobicContact CG-CD2 4.41Å; V352-L371 HydrophobicContact CG2-CD2 3.62Å; N354-L371 PolarHBondContact O-N 3.03Å; N354-L371 PolarHBondContact OD1-N 3.04Å; L356-L371 HydrophobicContact CD2-CB 4.21Å; L356-L371 HydrophobicContact CD2-CD1 4.05Å
372	H	98.5	Very high	96.5	Very high	24 Å²	24	61.9 Å²	61.9	11%	0.111	36%	0.359	C	S	.	.	S	Bend	trans	-88.6	141.1	-176	-62.1	-63.1	0	0	0	112.5	R307 Y342 N354	R307-H372 WeakPolarHBondContact CG-ND1 3.28Å; R307-H372 VanDerWaalsContact CZ-CD2 3.4Å; R307-H372 PolarHBondContact NH1-NE2 3.36Å; R307-H372 PolarHBondContact NH2-CD2 2.85Å; R307-H372 PolarHBondContact NH2-NE2 3.25Å; Y342-H372 AromaticContact CD2-CE1 3.63Å; Y342-H372 AromaticContact CE2-CE1 3.48Å; Y342-H372 VanDerWaalsContact CE2-CE1 3.48Å; Y342-H372 WeakPolarHBondContact CE2-CE1 3.2Å; Y342-H372 AromaticContact CE2-NE2 3.94Å; Y342-H372 AromaticContact CG-CE1 3.98Å; Y342-H372 AromaticContact CZ-CE1 3.7Å; N354-H372 WeakPolarHBondContact OD1-CB 3.44Å; N354-H372 PolarHBondContact OD1-CD2 3.07Å; N354-H372 PolarHBondContact OD1-N 3.4Å
373	I	97.2	Very high	96.6	Very high	25 Å²	25	63.1 Å²	63.1	13%	0.128	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-103.1	150.4	175.3	62.1	-174.5	0	0	0	110.6	T295 T305 I306 N335	T295-I373 HydrophobicContact CG2-CD1 3.53Å; T295-I373 HydrophobicContact CG2-CG1 3.89Å; T305-I373 WeakPolarHBondContact CB-O 3.49Å; I306-I373 HydrophobicContact CD1-CB 4.5Å; I306-I373 HydrophobicContact CD1-CD1 4.14Å; I306-I373 HydrophobicContact CD1-CG1 3.99Å; I306-I373 HydrophobicContact CD1-CG2 4.03Å; I306-I373 HydrophobicContact CG1-CD1 4.02Å; I306-I373 HydrophobicContact CG1-CG1 4.02Å; N335-I373 HydrophobicContact CB-CD1 4.44Å
374	A	96.6	Very high	96.7	Very high	81 Å²	81	63 Å²	63	67%	0.669	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-88.7	148.8	172.7	0	0	0	0	0	110.4	T295	T295-A374 WeakPolarHBondContact CG2-O 3.48Å
375	P	97	Very high	96.7	Very high	74 Å²	74	66.4 Å²	66.4	48%	0.481	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-66.5	152.4	173.4	30.4	-33.6	0	0	0	110.6	T305	T305-P375 HydrophobicContact CG2-CB 4.18Å; T305-P375 HydrophobicContact CG2-CG 4.27Å
376	S	96.8	Very high	96.7	Very high	50 Å²	50	68.7 Å²	68.7	35%	0.35	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-76.7	170.7	172.8	75.6	0	0	0	0	111.6	T295 N303 M378	T295-S376 PolarHBondContact OG1-N 3.32Å; N303-S376 PolarHBondContact ND2-O 3.38Å; N303-S376 PolarHBondContact OD1-N 2.98Å; N303-S376 PolarHBondContact OD1-OG 2.94Å; S376-M378 PolarHBondContact O-N 3.49Å; S376-M378 VanDerWaalsContact OG-CB 3.24Å; S376-M378 WeakPolarHBondContact OG-CB 3.49Å; S376-M378 PolarHBondContact OG-N 3.31Å
377	N	97.1	Very high	96.9	Very high	166 Å²	166	64.4 Å²	64.4	89%	0.888	38%	0.378	S	S	*	.	S	Bend	trans	-81	13.3	171.8	68.5	-23.9	0	0	0	113.7
378	M	96.5	Very high	97.1	Very high	80 Å²	80	66.1 Å²	66.1	39%	0.394	37%	0.369	S	S	.	.			trans	-56.3	138.4	175.6	178.8	-175.9	-74.9	0	0	111.1	G259 S376 N380	G259-M378 VanDerWaalsContact CA-SD 3.5Å; S376-M378 PolarHBondContact O-N 3.49Å; S376-M378 VanDerWaalsContact OG-CB 3.24Å; S376-M378 WeakPolarHBondContact OG-CB 3.49Å; S376-M378 PolarHBondContact OG-N 3.31Å; M378-N380 PolarHBondContact O-N 2.91Å
379	T	97.6	Very high	97.4	Very high	116 Å²	116	65.1 Å²	65.1	71%	0.712	37%	0.367	S	S	*	.			trans	-67.6	128.6	175.4	-57.7	0	0	0	0	110.5	A381	T379-A381 PolarHBondContact O-N 3.34Å
380	N	98.2	Very high	97.5	Very high	42 Å²	42	63.8 Å²	63.8	23%	0.225	36%	0.36	C	S	.	.			trans	-78.2	108.7	170.7	-172.2	-8.5	0	0	0	110.4	G259 T261 T264 M378 N382	G259-N380 VanDerWaalsContact O-CA 3.31Å; G259-N380 WeakPolarHBondContact O-CA 3.3Å; G259-N380 WeakPolarHBondContact O-CB 3.47Å; G259-N380 PolarHBondContact O-OD1 2.98Å; T261-N380 HydrophobicContact CG2-CB 4.39Å; T261-N380 PolarHBondContact OG1-ND2 2.93Å; T264-N380 WeakPolarHBondContact CG2-ND2 3.39Å; T264-N380 PolarHBondContact OG1-ND2 3.5Å; M378-N380 PolarHBondContact O-N 2.91Å; N380-N382 PolarHBondContact O-N 3.11Å; N380-N382 WeakPolarHBondContact OD1-CA 3.43Å; N380-N382 WeakPolarHBondContact OD1-CB 3.4Å; N380-N382 PolarHBondContact OD1-N 3.1Å; N380-N382 PolarHBondContact OD1-ND2 2.88Å
381	A	98.1	Very high	97.6	Very high	33 Å²	33	63.1 Å²	63.1	27%	0.273	36%	0.355	S	S	.	.			trans	-76.5	-5	179	0	0	0	0	0	113.2	K257 E258 T379 S383	K257-A381 HydrophobicContact CB-CB 3.81Å; K257-A381 HydrophobicContact CD-CB 4.18Å; K257-A381 VanDerWaalsContact CD-O 3.28Å; K257-A381 WeakPolarHBondContact CD-O 2.84Å; E258-A381 HydrophobicContact CG-CB 3.82Å; E258-A381 PolarHBondContact O-N 3.17Å; E258-A381 VanDerWaalsContact O-N 3.08Å; T379-A381 PolarHBondContact O-N 3.34Å; A381-S383 PolarHBondContact O-N 2.88Å
382	N	98.3	Very high	97.6	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.021	38%	0.377	C	S	.	.			trans	-89.5	79.6	-179.7	-56.7	-86.8	0	0	0	111.2	K257 E258 I260 N380 L387	K257-N382 WeakPolarHBondContact CA-OD1 3.34Å; K257-N382 WeakPolarHBondContact CB-OD1 3.43Å; K257-N382 PolarHBondContact N-OD1 2.89Å; K257-N382 PolarHBondContact O-ND2 3.22Å; E258-N382 PolarHBondContact O-ND2 3.31Å; E258-N382 VanDerWaalsContact O-ND2 3.15Å; I260-N382 WeakPolarHBondContact CB-ND2 3.31Å; N380-N382 PolarHBondContact O-N 3.11Å; N380-N382 WeakPolarHBondContact OD1-CA 3.43Å; N380-N382 WeakPolarHBondContact OD1-CB 3.4Å; N380-N382 PolarHBondContact OD1-N 3.1Å; N380-N382 PolarHBondContact OD1-ND2 2.88Å; N382-L387 HydrophobicContact CB-CD1 3.99Å; N382-L387 HydrophobicContact CB-CD2 3.73Å; N382-L387 HydrophobicContact CB-CG 3.88Å
383	S	97.7	Very high	97.6	Very high	67 Å²	67	70 Å²	70	47%	0.469	39%	0.392	S	S	.	.			trans	-60.2	150.4	175.5	72.1	0	0	0	0	111.8	A381 L385 H386 L387	A381-S383 PolarHBondContact O-N 2.88Å; S383-L385 VanDerWaalsContact C-N 3.25Å; S383-L385 PolarHBondContact O-N 2.83Å; S383-H386 WeakPolarHBondContact O-CA 3.23Å; S383-H386 WeakPolarHBondContact O-CB 3.46Å; S383-H386 PolarHBondContact O-N 3.38Å; S383-H386 WeakPolarHBondContact OG-CB 3.42Å; S383-H386 PolarHBondContact OG-N 2.86Å; S383-L387 PolarHBondContact O-N 3.31Å
384	E	97.2	Very high	97.6	Very high	126 Å²	126	68.9 Å²	68.9	59%	0.589	39%	0.386	S	S	*	.	H	α-helix	trans	-55.6	-40.3	179.9	-174.9	179.8	-167.2	0	0	112.5	H386 L387 R388	E384-H386 VanDerWaalsContact C-N 3.33Å; E384-H386 PolarHBondContact O-N 2.69Å; E384-L387 PolarHBondContact O-N 3.48Å; E384-R388 HydrophobicContact CG-CG 4.5Å; E384-R388 WeakPolarHBondContact O-CB 3.01Å; E384-R388 VanDerWaalsContact O-CG 3.28Å; E384-R388 WeakPolarHBondContact O-CG 3.45Å; E384-R388 PolarHBondContact O-N 3.35Å; E384-R388 IonicContact OE1-CZ 3.13Å; E384-R388 IonicContact OE1-NE 3.98Å; E384-R388 PolarHBondContact OE1-NE 2.81Å; E384-R388 IonicContact OE1-NH2 2.68Å; E384-R388 PolarHBondContact OE1-NH2 3.09Å
385	L	97.4	Very high	97.7	Very high	138 Å²	138	66.5 Å²	66.5	72%	0.723	36%	0.362	S	S	*	.	H	α-helix	trans	-63.4	-38.8	175.5	-71	173.6	0	0	0	112.2	S383 S389	S383-L385 VanDerWaalsContact C-N 3.25Å; S383-L385 PolarHBondContact O-N 2.83Å; L385-S389 WeakPolarHBondContact O-CB 3.42Å; L385-S389 PolarHBondContact O-N 3.24Å
386	H	97	Very high	97.7	Very high	50 Å²	50	68.6 Å²	68.6	23%	0.231	37%	0.365	C	S	.	.	H	α-helix	trans	-65.8	-48.7	176.9	176	57.2	0	0	0	111.2	K257 S383 E384 R388 S389 I390	K257-H386 WeakPolarHBondContact CE-NE2 3.49Å; S383-H386 WeakPolarHBondContact O-CA 3.23Å; S383-H386 WeakPolarHBondContact O-CB 3.46Å; S383-H386 PolarHBondContact O-N 3.38Å; S383-H386 WeakPolarHBondContact OG-CB 3.42Å; S383-H386 PolarHBondContact OG-N 2.86Å; E384-H386 VanDerWaalsContact C-N 3.33Å; E384-H386 PolarHBondContact O-N 2.69Å; H386-R388 PolarHBondContact O-N 3.48Å; H386-S389 WeakPolarHBondContact O-CB 3.02Å; H386-S389 PolarHBondContact O-N 2.91Å; H386-S389 VanDerWaalsContact O-N 3.14Å; H386-I390 WeakPolarHBondContact CE1-CD1 3.29Å; H386-I390 VanDerWaalsContact NE2-CD1 3.27Å; H386-I390 WeakPolarHBondContact NE2-CD1 3.5Å; H386-I390 PolarHBondContact O-N 3.15Å
387	L	98.2	Very high	97.8	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-45.6	178.4	-67.8	-178	0	0	0	112	L256 I260 T264 V268 N382 S383 E384 S389 I390 V391	L256-L387 HydrophobicContact CD2-CD2 3.93Å; I260-L387 HydrophobicContact CD1-CD2 4.47Å; T264-L387 HydrophobicContact CG2-CD1 4.16Å; V268-L387 HydrophobicContact CG2-CB 4.14Å; V268-L387 HydrophobicContact CG2-CD1 4.2Å; V268-L387 HydrophobicContact CG2-CD2 3.86Å; V268-L387 HydrophobicContact CG2-CG 4.28Å; N382-L387 HydrophobicContact CB-CD1 3.99Å; N382-L387 HydrophobicContact CB-CD2 3.73Å; N382-L387 HydrophobicContact CB-CG 3.88Å; S383-L387 PolarHBondContact O-N 3.31Å; E384-L387 PolarHBondContact O-N 3.48Å; L387-S389 VanDerWaalsContact C-N 3.27Å; L387-S389 PolarHBondContact O-N 3.1Å; L387-I390 PolarHBondContact O-N 2.86Å; L387-I390 VanDerWaalsContact O-N 3.13Å; L387-V391 WeakPolarHBondContact O-CG2 3.42Å; L387-V391 PolarHBondContact O-N 3.21Å
388	R	97.6	Very high	97.8	Very high	157 Å²	157	59.8 Å²	59.8	59%	0.592	32%	0.315	S	S	*	.	H	α-helix	trans	-58.5	-39.3	174.2	-73.8	177.2	-178.1	-171.6	1.1	112.1	E384 H386 C392	E384-R388 HydrophobicContact CG-CG 4.5Å; E384-R388 WeakPolarHBondContact O-CB 3.01Å; E384-R388 VanDerWaalsContact O-CG 3.28Å; E384-R388 WeakPolarHBondContact O-CG 3.45Å; E384-R388 PolarHBondContact O-N 3.35Å; E384-R388 IonicContact OE1-CZ 3.13Å; E384-R388 IonicContact OE1-NE 3.98Å; E384-R388 PolarHBondContact OE1-NE 2.81Å; E384-R388 IonicContact OE1-NH2 2.68Å; E384-R388 PolarHBondContact OE1-NH2 3.09Å; H386-R388 PolarHBondContact O-N 3.48Å; R388-C392 VanDerWaalsContact O-CB 3.27Å; R388-C392 WeakPolarHBondContact O-CB 3.45Å; R388-C392 PolarHBondContact O-N 3.04Å
389	S	97.8	Very high	97.8	Very high	54 Å²	54	60.7 Å²	60.7	38%	0.378	32%	0.317	S	S	.	.	H	α-helix	trans	-67.5	-38.1	176.2	-179	0	0	0	0	112.7	L385 H386 L387 K393	L385-S389 WeakPolarHBondContact O-CB 3.42Å; L385-S389 PolarHBondContact O-N 3.24Å; H386-S389 WeakPolarHBondContact O-CB 3.02Å; H386-S389 PolarHBondContact O-N 2.91Å; H386-S389 VanDerWaalsContact O-N 3.14Å; L387-S389 VanDerWaalsContact C-N 3.27Å; L387-S389 PolarHBondContact O-N 3.1Å; S389-K393 WeakPolarHBondContact O-CG 3.4Å; S389-K393 PolarHBondContact O-N 2.63Å
390	I	97.5	Very high	97.7	Very high	10 Å²	10	57.4 Å²	57.4	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-54.5	175.2	-73	164.2	0	0	0	109.1	I239 V254 P255 H386 L387 C392 K393 V394	I239-I390 HydrophobicContact CD1-CG2 4.28Å; V254-I390 HydrophobicContact CG1-CG2 3.79Å; P255-I390 WeakPolarHBondContact O-CD1 3.05Å; H386-I390 WeakPolarHBondContact CE1-CD1 3.29Å; H386-I390 VanDerWaalsContact NE2-CD1 3.27Å; H386-I390 WeakPolarHBondContact NE2-CD1 3.5Å; H386-I390 PolarHBondContact O-N 3.15Å; L387-I390 PolarHBondContact O-N 2.86Å; L387-I390 VanDerWaalsContact O-N 3.13Å; I390-C392 VanDerWaalsContact C-N 3.27Å; I390-C392 PolarHBondContact O-N 3.44Å; I390-K393 PolarHBondContact O-N 2.9Å; I390-V394 HydrophobicContact CG2-CG2 3.97Å; I390-V394 WeakPolarHBondContact O-CG2 3.44Å; I390-V394 PolarHBondContact O-N 3.12Å
391	V	98.3	Very high	97.5	Very high	24 Å²	24	55.4 Å²	55.4	15%	0.145	29%	0.291	C	S	.	.	H	α-helix	trans	-54.3	-45.4	179.6	173	0	0	0	0	110.6	V268 L387 K393 V394 M395	V268-V391 HydrophobicContact CB-CG2 4.18Å; V268-V391 HydrophobicContact CG1-CG2 3.82Å; V268-V391 HydrophobicContact CG2-CG2 4.06Å; L387-V391 WeakPolarHBondContact O-CG2 3.42Å; L387-V391 PolarHBondContact O-N 3.21Å; V391-K393 VanDerWaalsContact C-N 3.34Å; V391-K393 PolarHBondContact O-N 3.16Å; V391-V394 PolarHBondContact O-N 3.07Å; V391-M395 HydrophobicContact CG1-CE 4.03Å; V391-M395 HydrophobicContact CG1-CG 4.02Å; V391-M395 WeakPolarHBondContact O-CB 3.47Å; V391-M395 WeakPolarHBondContact O-CG 3.22Å; V391-M395 PolarHBondContact O-N 3.2Å
392	C	98.3	Very high	96.9	Very high	68 Å²	68	57.2 Å²	57.2	46%	0.459	30%	0.301	S	S	.	.	H	α-helix	trans	-58.1	-43.8	178.5	-172.9	0	0	0	0	112.9	R388 I390 Q396	R388-C392 VanDerWaalsContact O-CB 3.27Å; R388-C392 WeakPolarHBondContact O-CB 3.45Å; R388-C392 PolarHBondContact O-N 3.04Å; I390-C392 VanDerWaalsContact C-N 3.27Å; I390-C392 PolarHBondContact O-N 3.44Å; C392-Q396 VanDerWaalsContact O-CG 3.31Å; C392-Q396 WeakPolarHBondContact O-CG 3.38Å; C392-Q396 PolarHBondContact O-N 3.2Å; C392-Q396 VanDerWaalsContact O-N 3.09Å
393	K	98.2	Very high	95.8	Very high	100 Å²	100	59.8 Å²	59.8	44%	0.435	32%	0.322	S	S	.	.	H	α-helix	trans	-70.1	-42.5	177.8	-72.5	173	-178.5	-179.6	0	112	I239 S389 I390 V391 M395 Q396 N397	I239-K393 HydrophobicContact CD1-CB 3.49Å; I239-K393 VanDerWaalsContact CD1-CB 3.49Å; I239-K393 HydrophobicContact CD1-CD 3.94Å; I239-K393 HydrophobicContact CD1-CG 4.39Å; I239-K393 HydrophobicContact CG1-CB 4.3Å; S389-K393 WeakPolarHBondContact O-CG 3.4Å; S389-K393 PolarHBondContact O-N 2.63Å; I390-K393 PolarHBondContact O-N 2.9Å; V391-K393 VanDerWaalsContact C-N 3.34Å; V391-K393 PolarHBondContact O-N 3.16Å; K393-M395 VanDerWaalsContact C-N 3.32Å; K393-M395 PolarHBondContact O-N 3.12Å; K393-Q396 WeakPolarHBondContact O-CB 3.33Å; K393-Q396 PolarHBondContact O-N 3.1Å; K393-Q396 VanDerWaalsContact O-N 3.13Å; K393-N397 PolarHBondContact O-N 3.16Å; K393-N397 VanDerWaalsContact O-N 3.08Å
394	V	98.5	Very high	94.5	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-59.3	-45	175.4	171.1	0	0	0	0	110.5	I239 V252 V254 V272 I390 V391 Q396 N397 I398	I239-V394 HydrophobicContact CD1-CG2 4Å; I239-V394 HydrophobicContact CG1-CG2 4.24Å; V252-V394 HydrophobicContact CG1-CG1 3.73Å; V254-V394 HydrophobicContact CG2-CG1 4.26Å; V254-V394 HydrophobicContact CG2-CG2 4.05Å; V272-V394 HydrophobicContact CB-CG1 4.42Å; V272-V394 HydrophobicContact CG1-CG1 3.79Å; V272-V394 HydrophobicContact CG2-CB 4.43Å; V272-V394 HydrophobicContact CG2-CG1 3.74Å; I390-V394 HydrophobicContact CG2-CG2 3.97Å; I390-V394 WeakPolarHBondContact O-CG2 3.44Å; I390-V394 PolarHBondContact O-N 3.12Å; V391-V394 PolarHBondContact O-N 3.07Å; V394-Q396 VanDerWaalsContact C-N 3.3Å; V394-Q396 PolarHBondContact O-N 2.94Å; V394-N397 WeakPolarHBondContact O-CB 3.28Å; V394-N397 PolarHBondContact O-N 3.44Å; V394-N397 VanDerWaalsContact O-N 3.13Å; V394-I398 HydrophobicContact CG1-CD1 3.85Å; V394-I398 HydrophobicContact CG1-CG1 4.42Å; V394-I398 WeakPolarHBondContact O-CG1 3.13Å; V394-I398 PolarHBondContact O-N 3.05Å
395	M	98.2	Very high	92.8	Very high	32 Å²	32	53.5 Å²	53.5	16%	0.158	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-36.3	175.8	-67.5	-64.7	-178.1	0	0	112.3	P271 V272 E275 V391 K393 N397 I398 H399	P271-M395 HydrophobicContact CB-CE 3.55Å; P271-M395 VanDerWaalsContact O-CE 3.31Å; P271-M395 WeakPolarHBondContact O-CE 3.42Å; V272-M395 HydrophobicContact CG2-CE 4.35Å; E275-M395 HydrophobicContact CB-CE 4.14Å; E275-M395 HydrophobicContact CB-SD 3.69Å; E275-M395 HydrophobicContact CG-SD 3.75Å; V391-M395 HydrophobicContact CG1-CE 4.03Å; V391-M395 HydrophobicContact CG1-CG 4.02Å; V391-M395 WeakPolarHBondContact O-CB 3.47Å; V391-M395 WeakPolarHBondContact O-CG 3.22Å; V391-M395 PolarHBondContact O-N 3.2Å; K393-M395 VanDerWaalsContact C-N 3.32Å; K393-M395 PolarHBondContact O-N 3.12Å; M395-N397 VanDerWaalsContact C-N 3.35Å; M395-I398 PolarHBondContact O-N 3.26Å; M395-I398 HydrophobicContact SD-CD1 4.47Å; M395-H399 WeakPolarHBondContact O-CB 3.28Å; M395-H399 PolarHBondContact O-N 2.87Å; M395-H399 PolarHBondContact O-ND1 3.48Å; M395-H399 VanDerWaalsContact O-ND1 3.12Å
396	Q	97.9	Very high	90.8	Very high	117 Å²	117	52.7 Å²	52.7	55%	0.547	30%	0.297	S	S	.	.	H	α-helix	trans	-61.7	-43.4	173.3	-72.3	167.3	4.1	0	0	111.6	C392 K393 V394 H399 A400	C392-Q396 VanDerWaalsContact O-CG 3.31Å; C392-Q396 WeakPolarHBondContact O-CG 3.38Å; C392-Q396 PolarHBondContact O-N 3.2Å; C392-Q396 VanDerWaalsContact O-N 3.09Å; K393-Q396 WeakPolarHBondContact O-CB 3.33Å; K393-Q396 PolarHBondContact O-N 3.1Å; K393-Q396 VanDerWaalsContact O-N 3.13Å; V394-Q396 VanDerWaalsContact C-N 3.3Å; V394-Q396 PolarHBondContact O-N 2.94Å; Q396-H399 PolarHBondContact O-N 3.42Å; Q396-A400 WeakPolarHBondContact O-CB 3.45Å; Q396-A400 PolarHBondContact O-N 3.17Å
397	N	97.1	Very high	88.7	Confident	32 Å²	32	52.9 Å²	52.9	17%	0.171	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-46.8	176.3	-65.8	-11	0	0	0	111.1	I239 V242 F249 K393 V394 M395 H399 A400 M401	I239-N397 PolarHBondContact O-ND2 3.26Å; V242-N397 HydrophobicContact CG1-CB 4.42Å; V242-N397 WeakPolarHBondContact CG1-ND2 3.46Å; F249-N397 HydrophobicContact CD1-CB 4.33Å; K393-N397 PolarHBondContact O-N 3.16Å; K393-N397 VanDerWaalsContact O-N 3.08Å; V394-N397 WeakPolarHBondContact O-CB 3.28Å; V394-N397 PolarHBondContact O-N 3.44Å; V394-N397 VanDerWaalsContact O-N 3.13Å; M395-N397 VanDerWaalsContact C-N 3.35Å; N397-H399 VanDerWaalsContact C-N 3.34Å; N397-H399 PolarHBondContact O-N 3.41Å; N397-A400 WeakPolarHBondContact O-CB 3.37Å; N397-A400 PolarHBondContact O-N 3.29Å; N397-A400 VanDerWaalsContact O-N 3.1Å; N397-M401 PolarHBondContact O-N 2.71Å
398	I	97.5	Very high	86.4	Confident	0 Å²	0	55 Å²	55	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-42.1	178	-64.2	168.1	0	0	0	111	V252 V272 E275 A276 R279 V394 M395 A400 M401	V252-I398 HydrophobicContact CG1-CD1 4.24Å; V252-I398 HydrophobicContact CG1-CG1 4.25Å; V252-I398 HydrophobicContact CG2-CG1 3.95Å; V272-I398 HydrophobicContact CG1-CD1 4.12Å; E275-I398 HydrophobicContact CB-CD1 4.47Å; E275-I398 HydrophobicContact CB-CG2 4.38Å; E275-I398 HydrophobicContact CG-CB 4.43Å; E275-I398 HydrophobicContact CG-CG2 3.71Å; A276-I398 HydrophobicContact CB-CD1 4.32Å; R279-I398 HydrophobicContact CB-CG2 3.99Å; R279-I398 HydrophobicContact CG-CG2 4.26Å; V394-I398 HydrophobicContact CG1-CD1 3.85Å; V394-I398 HydrophobicContact CG1-CG1 4.42Å; V394-I398 WeakPolarHBondContact O-CG1 3.13Å; V394-I398 PolarHBondContact O-N 3.05Å; M395-I398 PolarHBondContact O-N 3.26Å; M395-I398 HydrophobicContact SD-CD1 4.47Å; I398-A400 VanDerWaalsContact C-N 3.26Å; I398-A400 PolarHBondContact O-N 3.09Å; I398-M401 HydrophobicContact CG2-CE 4.35Å; I398-M401 WeakPolarHBondContact O-CB 3.47Å; I398-M401 PolarHBondContact O-N 2.81Å
399	H	96.5	Very high	84.1	Confident	98 Å²	98	56.1 Å²	56.1	45%	0.454	34%	0.341	S	S	.	.	H	α-helix	trans	-69.4	-23.8	177.6	-64.4	152.9	0	0	0	113.5	E275 R279 M395 Q396 N397 M401	E275-H399 IonicContact OE1-CD2 2.83Å; E275-H399 PolarHBondContact OE1-CD2 3.05Å; E275-H399 IonicContact OE1-NE2 3.97Å; E275-H399 PolarHBondContact OE1-NE2 3.07Å; E275-H399 IonicContact OE2-NE2 2.89Å; R279-H399 PolarHBondContact NH2-O 3.22Å; M395-H399 WeakPolarHBondContact O-CB 3.28Å; M395-H399 PolarHBondContact O-N 2.87Å; M395-H399 PolarHBondContact O-ND1 3.48Å; M395-H399 VanDerWaalsContact O-ND1 3.12Å; Q396-H399 PolarHBondContact O-N 3.42Å; N397-H399 VanDerWaalsContact C-N 3.34Å; N397-H399 PolarHBondContact O-N 3.41Å; H399-M401 VanDerWaalsContact C-N 3.35Å
400	A	96	Very high	81.8	Confident	47 Å²	47	59.8 Å²	59.8	39%	0.388	35%	0.352	S	S	.	.	H	α-helix	trans	-75.9	-23.4	174.2	0	0	0	0	0	112.6	F249 Q396 N397 I398	F249-A400 HydrophobicContact CD1-CB 3.78Å; F249-A400 HydrophobicContact CD2-CB 3.78Å; F249-A400 HydrophobicContact CE1-CB 3.67Å; F249-A400 HydrophobicContact CE2-CB 3.68Å; F249-A400 HydrophobicContact CG-CB 3.84Å; F249-A400 HydrophobicContact CZ-CB 3.62Å; Q396-A400 WeakPolarHBondContact O-CB 3.45Å; Q396-A400 PolarHBondContact O-N 3.17Å; N397-A400 WeakPolarHBondContact O-CB 3.37Å; N397-A400 PolarHBondContact O-N 3.29Å; N397-A400 VanDerWaalsContact O-N 3.1Å; I398-A400 VanDerWaalsContact C-N 3.26Å; I398-A400 PolarHBondContact O-N 3.09Å
401	M	94.3	Very high	79.4	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	39%	0.393	C	S	.	.	S	Bend	trans	-56.7	128.2	171.3	-173.5	171.8	54.3	0	0	110.4	L222 F249 Y250 R279 F280 N397 I398 H399 A403	L222-M401 HydrophobicContact CD1-SD 4.06Å; L222-M401 HydrophobicContact CD2-CE 4.28Å; L222-M401 HydrophobicContact CD2-SD 4.48Å; F249-M401 HydrophobicContact CB-CB 3.9Å; Y250-M401 HydrophobicContact CD1-CG 4.11Å; Y250-M401 HydrophobicContact CD1-SD 3.54Å; Y250-M401 VanDerWaalsContact CD1-SD 3.54Å; Y250-M401 HydrophobicContact CD2-CG 4.35Å; Y250-M401 HydrophobicContact CE1-CG 3.72Å; Y250-M401 HydrophobicContact CE1-SD 3.54Å; Y250-M401 VanDerWaalsContact CE1-SD 3.54Å; Y250-M401 HydrophobicContact CE2-CG 3.99Å; Y250-M401 HydrophobicContact CG-CG 4.41Å; Y250-M401 HydrophobicContact CG-SD 4.13Å; R279-M401 HydrophobicContact CB-CE 3.64Å; R279-M401 HydrophobicContact CG-CB 4.41Å; R279-M401 HydrophobicContact CG-CE 3.38Å; R279-M401 VanDerWaalsContact CZ-O 3.23Å; R279-M401 PolarHBondContact NE-O 3.31Å; R279-M401 PolarHBondContact NH2-O 2.83Å; F280-M401 HydrophobicContact CB-CE 3.86Å; F280-M401 HydrophobicContact CB-SD 4.49Å; F280-M401 HydrophobicContact CD2-SD 4.11Å; N397-M401 PolarHBondContact O-N 2.71Å; I398-M401 HydrophobicContact CG2-CE 4.35Å; I398-M401 WeakPolarHBondContact O-CB 3.47Å; I398-M401 PolarHBondContact O-N 2.81Å; H399-M401 VanDerWaalsContact C-N 3.35Å; M401-A403 PolarHBondContact O-N 3.46Å
402	P	86	Confident	77.2	Confident	72 Å²	72	72.8 Å²	72.8	47%	0.468	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-56.8	132.4	171.9	-23.9	34.1	0	0	0	110.7	Y250 C404	Y250-P402 PolarHBondContact OH-O 3.32Å; P402-C404 PolarHBondContact O-N 3.03Å
403	A	75.4	Confident	75.3	Confident	58 Å²	58	75.3 Å²	75.3	48%	0.479	42%	0.424	S	S	.	.	S	Bend	trans	-70.1	127.6	177.6	0	0	0	0	0	110.1	M401	M401-A403 PolarHBondContact O-N 3.46Å
404	C	70.1	Confident	73.7	Confident	47 Å²	47	76.3 Å²	76.3	32%	0.318	43%	0.434	S	S	.	.	S	Bend	trans	51.3	76	171.4	-57	0	0	0	0	113.2	K281 P402 S406	K281-C404 VanDerWaalsContact CD-SG 3.53Å; P402-C404 PolarHBondContact O-N 3.03Å; C404-S406 PolarHBondContact O-N 2.77Å; C404-S406 VanDerWaalsContact O-N 3.15Å
405	P	61.7	Low	72.5	Confident	13 Å²	13	77.2 Å²	77.2	8%	0.084	44%	0.441	C	S	.	.			trans	-53.4	124.3	178.3	20.2	-30.4	0	0	0	110.3	D219 Y250 V407	D219-P405 HydrophobicContact CB-CB 4.14Å; D219-P405 HydrophobicContact CB-CG 4.22Å; D219-P405 VanDerWaalsContact OD2-CB 3.26Å; D219-P405 WeakPolarHBondContact OD2-CB 3.19Å; Y250-P405 HydrophobicContact CE1-CG 4.12Å; Y250-P405 WeakPolarHBondContact OH-CD 3.3Å; Y250-P405 WeakPolarHBondContact OH-CG 3.46Å; P405-V407 PolarHBondContact O-N 3.08Å
406	S	53.7	Low	71.2	Confident	121 Å²	121	76 Å²	76	85%	0.846	44%	0.435	S	S	*	.			trans	-75.5	109.6	176	51.8	0	0	0	0	108.7	C404	C404-S406 PolarHBondContact O-N 2.77Å; C404-S406 VanDerWaalsContact O-N 3.15Å
407	V	53.4	Low	69.8	Low	54 Å²	54	71.3 Å²	71.3	33%	0.327	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-85.4	132	-178.9	-161.4	0	0	0	0	109.7	E196 P405	E196-V407 HydrophobicContact CB-CG2 4.45Å; P405-V407 PolarHBondContact O-N 3.08Å
408	G	51.2	Low	68.2	Low	49 Å²	49	71.7 Å²	71.7	51%	0.505	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-71.8	152.9	167.5	0	0	0	0	0	110.7	H410	G408-H410 PolarHBondContact O-CD2 3.14Å; G408-H410 VanDerWaalsContact O-CD2 3.31Å; G408-H410 PolarHBondContact O-N 3.19Å; G408-H410 VanDerWaalsContact O-N 3.13Å
409	I	48.6	Very low	66.4	Low	182 Å²	182	74 Å²	74	93%	0.933	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-59.7	119	175.4	-56.8	174.4	0	0	0	108.4
410	H	50.5	Low	64.2	Low	131 Å²	131	72 Å²	72	61%	0.606	43%	0.426	S	S	*	.			trans	-110.2	148.1	173.5	-76.4	-64.1	0	0	0	110.1	G408 T412	G408-H410 PolarHBondContact O-CD2 3.14Å; G408-H410 VanDerWaalsContact O-CD2 3.31Å; G408-H410 PolarHBondContact O-N 3.19Å; G408-H410 VanDerWaalsContact O-N 3.13Å; H410-T412 PolarHBondContact O-N 3.06Å
411	E	46.8	Very low	62.1	Low	198 Å²	198	75.1 Å²	75.1	93%	0.925	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-60.7	126.6	167	-77.8	178.4	158.1	0	0	108.5
412	T	50.6	Low	59.7	Low	108 Å²	108	79.7 Å²	79.7	66%	0.663	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-69.4	128.4	179.4	47.3	0	0	0	0	109.3	H410	H410-T412 PolarHBondContact O-N 3.06Å
413	M	58.8	Low	57.6	Low	121 Å²	121	83.2 Å²	83.2	60%	0.596	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-64.6	141.8	164.4	-68	-174.6	78	0	0	108.6	Q78	Q78-M413 VanDerWaalsContact OE1-CE 3.32Å
414	D	65.8	Low	55.7	Low	121 Å²	121	85.9 Å²	85.9	65%	0.647	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-62.6	140.8	173.3	-69.7	-40.2	0	0	0	109.3	L416 I419	D414-L416 PolarHBondContact O-N 3.2Å; D414-I419 HydrophobicContact CB-CG1 4.19Å
415	S	73.1	Confident	53.8	Low	21 Å²	21	86.6 Å²	86.6	15%	0.147	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-53.2	137.2	175.8	170.7	0	0	0	0	110.4	E190 I193 T417 A418 I419	E190-S415 WeakPolarHBondContact OE1-CB 3.44Å; E190-S415 PolarHBondContact OE1-OG 2.55Å; I193-S415 VanDerWaalsContact CD1-CA 3.43Å; S415-T417 PolarHBondContact O-N 2.75Å; S415-T417 PolarHBondContact OG-N 3.46Å; S415-T417 PolarHBondContact OG-OG1 2.63Å; S415-A418 CarbonylContact O-C 3.57Å; S415-A418 WeakPolarHBondContact O-CA 3.39Å; S415-A418 WeakPolarHBondContact O-CB 3.37Å; S415-A418 PolarHBondContact O-N 2.73Å; S415-I419 PolarHBondContact O-N 2.89Å
416	L	69.5	Low	52.3	Low	6 Å²	6	94.3 Å²	94.3	3%	0.031	54%	0.54	C	S	.	.	H	α-helix	trans	-52.7	-43.1	176.9	-66.5	178.2	0	0	0	110.5	E75 Q78 I146 E190 D414 A418 I419	E75-L416 HydrophobicContact CG-CB 4.18Å; Q78-L416 HydrophobicContact CB-CD2 4.04Å; Q78-L416 HydrophobicContact CG-CD2 3.38Å; I146-L416 HydrophobicContact CD1-CD1 4.27Å; I146-L416 HydrophobicContact CG1-CD1 4.16Å; I146-L416 HydrophobicContact CG2-CB 4.02Å; I146-L416 HydrophobicContact CG2-CD1 4.04Å; E190-L416 HydrophobicContact CB-CD1 4.09Å; E190-L416 VanDerWaalsContact OE2-CB 3.23Å; E190-L416 WeakPolarHBondContact OE2-CB 3.48Å; E190-L416 WeakPolarHBondContact OE2-CG 3.48Å; E190-L416 PolarHBondContact OE2-N 2.98Å; D414-L416 PolarHBondContact O-N 3.2Å; L416-A418 VanDerWaalsContact C-N 3.26Å; L416-A418 PolarHBondContact O-N 3.34Å; L416-I419 HydrophobicContact CD2-CD1 4.37Å; L416-I419 PolarHBondContact O-N 2.83Å
417	T	68.6	Low	51.2	Low	19 Å²	19	98.3 Å²	98.3	12%	0.117	54%	0.536	C	S	.	.	H	α-helix	trans	-69.4	-21.3	176.2	69.5	0	0	0	0	113.7	I146 D150 S415	I146-T417 HydrophobicContact CG2-CG2 4.27Å; D150-T417 HydrophobicContact CB-CG2 3.88Å; D150-T417 PolarHBondContact OD1-OG1 3.33Å; S415-T417 PolarHBondContact O-N 2.75Å; S415-T417 PolarHBondContact OG-N 3.46Å; S415-T417 PolarHBondContact OG-OG1 2.63Å
418	A	64.4	Low	50.1	Low	40 Å²	40	104.7 Å²	104.7	33%	0.331	56%	0.563	S	S	.	*	H	α-helix	trans	-87.2	-29.7	179.5	0	0	0	0	0	113.6	S415 L416 L420 K421	S415-A418 CarbonylContact O-C 3.57Å; S415-A418 WeakPolarHBondContact O-CA 3.39Å; S415-A418 WeakPolarHBondContact O-CB 3.37Å; S415-A418 PolarHBondContact O-N 2.73Å; L416-A418 VanDerWaalsContact C-N 3.26Å; L416-A418 PolarHBondContact O-N 3.34Å; A418-L420 PolarHBondContact O-N 3.25Å; A418-K421 PolarHBondContact O-N 3.33Å
419	I	59.5	Low	49.4	Very low	48 Å²	48	106.8 Å²	106.8	25%	0.246	57%	0.565	C	S	.	*	H	α-helix	trans	-51.1	-31.2	177.4	-69	171.2	0	0	0	111.3	D414 S415 L416 S422	D414-I419 HydrophobicContact CB-CG1 4.19Å; S415-I419 PolarHBondContact O-N 2.89Å; L416-I419 HydrophobicContact CD2-CD1 4.37Å; L416-I419 PolarHBondContact O-N 2.83Å; I419-S422 PolarHBondContact O-OG 3.42Å
420	L	49.7	Very low	48.6	Very low	56 Å²	56	103.2 Å²	103.2	29%	0.293	55%	0.548	S	S	.	.	H	α-helix	trans	-85.7	-24.1	-179.9	-63.8	167.5	0	0	0	114.6	T72 A418 S422 D423 N424	T72-L420 HydrophobicContact CG2-CD1 3.53Å; T72-L420 HydrophobicContact CG2-CD2 4.05Å; T72-L420 HydrophobicContact CG2-CG 4.4Å; A418-L420 PolarHBondContact O-N 3.25Å; L420-S422 PolarHBondContact O-N 2.88Å; L420-D423 PolarHBondContact O-N 3.26Å; L420-N424 PolarHBondContact O-N 2.93Å
421	K	51.7	Low	48	Very low	113 Å²	113	101.5 Å²	101.5	49%	0.491	54%	0.54	S	S	.	.	H	α-helix	trans	-70.4	-22.2	179.5	-70.5	-171.2	-179.3	-176.4	0	112.1	A418	A418-K421 PolarHBondContact O-N 3.33Å
422	S	44.1	Very low	47.5	Very low	95 Å²	95	96 Å²	96	66%	0.664	52%	0.52	S	S	*	.	H	α-helix	trans	-81.2	-30.7	176.4	39.3	0	0	0	0	114.3	I419 L420	I419-S422 PolarHBondContact O-OG 3.42Å; L420-S422 PolarHBondContact O-N 2.88Å
423	D	42.6	Very low	47	Very low	147 Å²	147	95.3 Å²	95.3	79%	0.786	51%	0.513	S	S	*	.	H	α-helix	trans	-93.3	-23.3	-174.3	-101.3	3.8	0	0	0	114	L420	L420-D423 PolarHBondContact O-N 3.26Å
424	N	35.7	Very low	46	Very low	114 Å²	114	96.5 Å²	96.5	61%	0.61	52%	0.517	S	S	*	.	S	Bend	trans	-100.9	84.7	170.8	-81.1	-39.7	0	0	0	110.3	L420 D426	L420-N424 PolarHBondContact O-N 2.93Å; N424-D426 PolarHBondContact O-N 3.46Å
425	G	29.9	Very low	45	Very low	62 Å²	62	95.3 Å²	95.3	64%	0.639	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.2	125.7	-178.6	0	0	0	0	0	114	R427	G425-R427 PolarHBondContact O-N 3.27Å
426	D	29.8	Very low	43.7	Very low	174 Å²	174	96.4 Å²	96.4	93%	0.93	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.6	39.6	168.1	-62.1	-24.8	0	0	0	116.3	N424	N424-D426 PolarHBondContact O-N 3.46Å
427	R	31.5	Very low	42.3	Very low	206 Å²	206	98.9 Å²	98.9	78%	0.777	53%	0.528	S	S	*	.			trans	-93.1	103.7	150.9	-70.1	-174.4	-175.4	174.1	3.6	105.7	G425 V429	G425-R427 PolarHBondContact O-N 3.27Å; R427-V429 PolarHBondContact O-N 2.98Å
428	E	30.9	Very low	41.1	Very low	187 Å²	187	105.6 Å²	105.6	87%	0.874	56%	0.563	S	S	*	*			trans	-46.6	97	146.5	-74	-177.8	158.3	0	0	105.3	D430	E428-D430 PolarHBondContact O-N 3.26Å
429	V	35.4	Very low	40.2	Very low	93 Å²	93	111.7 Å²	111.7	56%	0.564	58%	0.578	S	S	*	*			trans	-67.4	79.6	153.1	-173.3	0	0	0	0	101.9	R427 H431	R427-V429 PolarHBondContact O-N 2.98Å; V429-H431 VanDerWaalsContact C-N 3.26Å; V429-H431 PolarHBondContact O-N 3.47Å
430	D	32.3	Very low	39.6	Very low	108 Å²	108	112.1 Å²	112.1	58%	0.578	58%	0.583	S	S	*	*			trans	-49.4	108.7	158.6	-168.2	3.4	0	0	0	102.4	E428 T432	E428-D430 PolarHBondContact O-N 3.26Å; D430-T432 HydrophobicContact CB-CG2 4.02Å; D430-T432 VanDerWaalsContact CG-CG2 3.44Å; D430-T432 PolarHBondContact O-N 3.44Å; D430-T432 PolarHBondContact OD1-N 3.27Å; D430-T432 WeakPolarHBondContact OD2-CG2 3.39Å
431	H	37.5	Very low	39.2	Very low	94 Å²	94	113.5 Å²	113.5	44%	0.435	59%	0.593	S	S	.	*			trans	-65.3	68.3	156.2	-60	-79.4	0	0	0	104.1	V429 D433	V429-H431 VanDerWaalsContact C-N 3.26Å; V429-H431 PolarHBondContact O-N 3.47Å; H431-D433 PolarHBondContact O-N 2.79Å
432	T	35.3	Very low	38.5	Very low	83 Å²	83	114.4 Å²	114.4	51%	0.509	60%	0.604	S	S	.	*			trans	-56	106.1	159.5	42.2	0	0	0	0	101.8	D430 E434	D430-T432 HydrophobicContact CB-CG2 4.02Å; D430-T432 VanDerWaalsContact CG-CG2 3.44Å; D430-T432 PolarHBondContact O-N 3.44Å; D430-T432 PolarHBondContact OD1-N 3.27Å; D430-T432 WeakPolarHBondContact OD2-CG2 3.39Å; T432-E434 PolarHBondContact O-N 3.27Å
433	D	40.9	Very low	37.9	Very low	93 Å²	93	119.5 Å²	119.5	50%	0.497	62%	0.617	S	S	.	*			trans	-55.9	81.8	169.1	-69.9	-41.8	0	0	0	105.6	R151 H431 H435	R151-D433 IonicContact NH2-OD1 3.96Å; R151-D433 PolarHBondContact NH2-OD1 2.87Å; H431-D433 PolarHBondContact O-N 2.79Å; D433-H435 PolarHBondContact O-N 3.1Å
434	E	38.2	Very low	38	Very low	147 Å²	147	116.3 Å²	116.3	69%	0.687	60%	0.603	S	S	*	*			trans	-71.2	81	172.2	-84.5	-163.7	163.9	0	0	105.1	T432 L436	T432-E434 PolarHBondContact O-N 3.27Å; E434-L436 PolarHBondContact O-N 2.72Å; E434-L436 VanDerWaalsContact O-N 3.1Å
435	H	44.6	Very low	38.4	Very low	95 Å²	95	117.2 Å²	117.2	44%	0.44	61%	0.612	S	S	.	*			trans	-59.3	116	169.9	-160.7	10.3	0	0	0	106.2	D433 P437	D433-H435 PolarHBondContact O-N 3.1Å; H435-P437 VanDerWaalsContact O-CD 3.23Å; H435-P437 WeakPolarHBondContact O-CD 3.28Å
436	L	46.6	Very low	38.8	Very low	45 Å²	45	121.9 Å²	121.9	24%	0.236	61%	0.611	C	S	.	*			trans	-51.3	116.7	178.4	-75.7	166.6	0	0	0	108.9	Y27 I65 E434 V440	Y27-L436 HydrophobicContact CD1-CD1 4.23Å; I65-L436 HydrophobicContact CG2-CD1 4.15Å; E434-L436 PolarHBondContact O-N 2.72Å; E434-L436 VanDerWaalsContact O-N 3.1Å; L436-V440 HydrophobicContact CD2-CG1 4.26Å; L436-V440 HydrophobicContact CD2-CG2 4.16Å
437	P	40.1	Very low	39.5	Very low	58 Å²	58	119.2 Å²	119.2	38%	0.377	59%	0.592	S	S	.	*			trans	-70	149.6	177.7	27	-32.2	0	0	0	110.3	H435 Y439 V440	H435-P437 VanDerWaalsContact O-CD 3.23Å; H435-P437 WeakPolarHBondContact O-CD 3.28Å; P437-Y439 HydrophobicContact CB-CD1 3.65Å; P437-Y439 HydrophobicContact CB-CE1 3.44Å; P437-Y439 VanDerWaalsContact CB-CE1 3.44Å; P437-Y439 HydrophobicContact CG-CD1 3.74Å; P437-Y439 HydrophobicContact CG-CE1 3.13Å; P437-Y439 HydrophobicContact CG-CE2 4.49Å; P437-Y439 PolarHBondContact O-N 3.46Å; P437-V440 HydrophobicContact CG-CG2 4.16Å; P437-V440 PolarHBondContact O-N 3.25Å; P437-V440 VanDerWaalsContact O-N 3.12Å
438	D	42.8	Very low	40	Very low	160 Å²	160	118.6 Å²	118.6	86%	0.856	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-52.5	-17.4	-173.2	-68.4	-24.6	0	0	0	115.2	V441	D438-V441 WeakPolarHBondContact O-CG2 3.32Å
439	Y	46.2	Very low	40.6	Very low	168 Å²	168	111.6 Å²	111.6	66%	0.659	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-85.8	-7.4	-177.4	73	-97.2	0	0	0	115.1	P437 V441 D442	P437-Y439 HydrophobicContact CB-CD1 3.65Å; P437-Y439 HydrophobicContact CB-CE1 3.44Å; P437-Y439 VanDerWaalsContact CB-CE1 3.44Å; P437-Y439 HydrophobicContact CG-CD1 3.74Å; P437-Y439 HydrophobicContact CG-CE1 3.13Å; P437-Y439 HydrophobicContact CG-CE2 4.49Å; P437-Y439 PolarHBondContact O-N 3.46Å; Y439-V441 PolarHBondContact O-N 2.96Å; Y439-D442 PolarHBondContact O-N 3.49Å
440	V	46.3	Very low	41.1	Very low	57 Å²	57	109.6 Å²	109.6	35%	0.345	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-65.4	-0.7	176.5	-178.8	0	0	0	0	112.2	L436 P437 D442	L436-V440 HydrophobicContact CD2-CG1 4.26Å; L436-V440 HydrophobicContact CD2-CG2 4.16Å; P437-V440 HydrophobicContact CG-CG2 4.16Å; P437-V440 PolarHBondContact O-N 3.25Å; P437-V440 VanDerWaalsContact O-N 3.12Å; V440-D442 VanDerWaalsContact C-N 3.34Å
441	V	41.5	Very low	41.5	Very low	84 Å²	84	112.7 Å²	112.7	51%	0.509	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-73.1	-18.8	169.9	-171.3	0	0	0	0	112.9	D438 Y439	D438-V441 WeakPolarHBondContact O-CG2 3.32Å; Y439-V441 PolarHBondContact O-N 2.96Å
442	D	35.5	Very low	41.6	Very low	133 Å²	133	112.9 Å²	112.9	71%	0.711	57%	0.567	S	S	*	*	S	Bend	trans	-109.8	8.7	-160.1	-82.5	-18.9	0	0	0	118.4	Y439 V440	Y439-D442 PolarHBondContact O-N 3.49Å; V440-D442 VanDerWaalsContact C-N 3.34Å
443	E	32.1	Very low	41.6	Very low	202 Å²	202	117.8 Å²	117.8	94%	0.944	58%	0.584	S	S	*	*			trans	-114.3	92	167.7	-73.8	-167.6	171	0	0	111.3
444	T	45.7	Very low	41.4	Very low	80 Å²	80	119.7 Å²	119.7	49%	0.491	59%	0.594	S	S	.	*			trans	-120.3	120.3	-179.1	14.6	0	0	0	0	112.2
445	V	43.8	Very low	41.2	Very low	132 Å²	132	119.7 Å²	119.7	80%	0.8	59%	0.594	S	S	*	*			trans	-101.2	108.2	157.3	-180	0	0	0	0	106.8
446	R	38.8	Very low	40.6	Very low	161 Å²	161	125.9 Å²	125.9	61%	0.608	61%	0.614	S	S	*	*			trans	-76.7	131	174.5	-68.2	-178.4	177	-171.6	-5.8	109.3
447	H	43.3	Very low	39.8	Very low	118 Å²	118	132.5 Å²	132.5	55%	0.546	64%	0.644	S	S	.	*			trans	-81.1	132.3	176.1	-161.7	-73.3	0	0	0	109.8	G449 E450	H447-G449 PolarHBondContact O-N 3.04Å; H447-E450 PolarHBondContact O-N 3.42Å
448	E	43.3	Very low	39.3	Very low	193 Å²	193	137 Å²	137	90%	0.902	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-0.5	-173.3	-66.7	-174.9	160.3	0	0	115.2
449	G	42.6	Very low	38.8	Very low	40 Å²	40	137.1 Å²	137.1	41%	0.412	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.2	8.7	-176.8	0	0	0	0	0	115.4	H447 F451	H447-G449 PolarHBondContact O-N 3.04Å; G449-F451 VanDerWaalsContact C-N 3.29Å; G449-F451 PolarHBondContact O-N 2.92Å
450	E	45.7	Very low	37.9	Very low	51 Å²	51	132.8 Å²	132.8	24%	0.238	67%	0.672	C	S	.	*			trans	-79.3	-3.6	-175	-72.9	-171.7	167.5	0	0	114.9	H45 H447	H45-E450 IonicContact CE1-OE1 3.36Å; H45-E450 PolarHBondContact CE1-OE1 3.29Å; H45-E450 VanDerWaalsContact CE1-OE1 3.3Å; H45-E450 IonicContact CE1-OE2 2.61Å; H45-E450 PolarHBondContact CE1-OE2 3.2Å; H45-E450 IonicContact CG-OE1 3.31Å; H45-E450 IonicContact ND1-OE1 3.93Å; H45-E450 PolarHBondContact ND1-OE1 3.22Å; H45-E450 IonicContact ND1-OE2 3.33Å; H447-E450 PolarHBondContact O-N 3.42Å
451	F	39.7	Very low	37.3	Very low	173 Å²	173	139.3 Å²	139.3	76%	0.759	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-97.7	129.6	177.5	-64.5	-79.6	0	0	0	111.5	G449	G449-F451 VanDerWaalsContact C-N 3.29Å; G449-F451 PolarHBondContact O-N 2.92Å
452	Y	41	Very low	36.7	Very low	98 Å²	98	141.2 Å²	141.2	38%	0.384	72%	0.715	S	S	.	*	P	Polyproline II helix	trans	-73.2	121.7	160.5	-64.2	-78.2	0	0	0	108	R298 D454	R298-Y452 PolarHBondContact NH1-OH 2.84Å; R298-Y452 VanDerWaalsContact NH1-OH 3.1Å; Y452-D454 PolarHBondContact O-N 3.44Å
453	E	35.4	Very low	36.4	Very low	185 Å²	185	138.4 Å²	138.4	86%	0.864	72%	0.718	S	S	*	*	S	Bend	trans	-69.9	116.8	160.3	-71.5	-177.7	164.3	0	0	107.2
454	D	35.6	Very low	36.3	Very low	133 Å²	133	133.6 Å²	133.6	71%	0.711	71%	0.713	S	S	*	*			trans	73.7	84.6	166.7	-57.5	-35.9	0	0	0	120.5	Y452 R456	Y452-D454 PolarHBondContact O-N 3.44Å; D454-R456 VanDerWaalsContact C-N 3.29Å
455	E	34.6	Very low	35.7	Very low	147 Å²	147	136 Å²	136	69%	0.687	73%	0.73	S	S	*	*			trans	-89.2	29	150.9	-74	-164.5	165.5	0	0	112.3	R334	R334-E455 IonicContact NH1-OE1 3.84Å; R334-E455 PolarHBondContact NH1-OE1 3.32Å; R334-E455 IonicContact NH1-OE2 2.65Å
456	R	32.1	Very low	35.3	Very low	225 Å²	225	135.3 Å²	135.3	85%	0.849	73%	0.731	S	S	*	*			trans	-103.3	3.5	-177.7	-74.1	-166.1	-174.7	-175	5.2	116.7	D454	D454-R456 VanDerWaalsContact C-N 3.29Å
457	E	29.6	Very low	34.9	Very low	185 Å²	185	138.9 Å²	138.9	86%	0.864	74%	0.744	S	S	*	*	S	Bend	trans	-119.6	58.4	179.5	-65	-165	168.1	0	0	112.6
458	N	28.9	Very low	34.2	Very low	153 Å²	153	138.1 Å²	138.1	82%	0.818	75%	0.752	S	S	*	*			trans	-152.4	48.2	156.8	-147.1	5.5	0	0	0	113.5
459	N	33.3	Very low	33.7	Very low	161 Å²	161	138.6 Å²	138.6	86%	0.861	76%	0.755	S	S	*	*			trans	-106.5	103.4	158.4	-81.5	-24.2	0	0	0	108	E461	N459-E461 PolarHBondContact O-N 3.22Å; N459-E461 VanDerWaalsContact O-N 3.1Å
460	G	27.5	Very low	33.1	Very low	78 Å²	78	146.4 Å²	146.4	80%	0.804	78%	0.78	S	S	*	*			trans	-62.7	107.3	168.1	0	0	0	0	0	110.1
461	E	32.5	Very low	32.5	Very low	193 Å²	193	147.6 Å²	147.6	90%	0.902	81%	0.806	S	S	*	*			trans	-100.3	104	161.2	-85.7	-169.8	162.3	0	0	110.1	N459	N459-E461 PolarHBondContact O-N 3.22Å; N459-E461 VanDerWaalsContact O-N 3.1Å
462	S	29.3	Very low	32.1	Very low	124 Å²	124	143.1 Å²	143.1	87%	0.867	81%	0.809	S	S	*	*			trans	-70.6	115.8	158.5	46.3	0	0	0	0	110.9
463	G	30.3	Very low	31.8	Very low	75 Å²	75	144.4 Å²	144.4	77%	0.773	82%	0.822	S	S	*	*			trans	101.6	106.4	141.4	0	0	0	0	0	118.9
464	A	29.8	Very low	31.8	Very low	101 Å²	101	143.1 Å²	143.1	84%	0.835	81%	0.814	S	S	*	*				166.2	153.1	106.5	0	0	0	0	0	112.2
465	P	33.7	Very low	31.7	Very low	131 Å²	131	143.7 Å²	143.7	85%	0.851	82%	0.817	S	S	*	*			trans	-101.7	148.1	-167.9	37.6	-30.1	0	0	0	114.3
466	S	33.3	Very low	31.8	Very low	116 Å²	116	146 Å²	146	81%	0.811	83%	0.828	S	S	*	*			trans	-132.6	103.3	164.5	56.8	0	0	0	0	109
467	R	31	Very low	31.9	Very low	236 Å²	236	141.3 Å²	141.3	89%	0.891	82%	0.824	S	S	*	*				45	100.4	86	-92.8	-172.1	177.6	-177.7	0.2	116
468	S	28.3	Very low	32.2	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	83%	0.827	S	S	*	*				56	112.4	128.7	63.1	0	0	0	0	120
469	E	34	Very low	32.5	Very low	204 Å²	204	136.6 Å²	136.6	95%	0.953	82%	0.823	S	S	*	*			trans	-126	125	137.8	-76.4	-168.4	155.2	0	0	110.1
470	Q	30.4	Very low	32.7	Very low	204 Å²	204	137.6 Å²	137.6	95%	0.953	83%	0.826	S	S	*	*			trans	-108.4	139.6	165.6	-87.6	-177.8	-16.5	0	0	108
471	G	32.7	Very low	33.2	Very low	76 Å²	76	137.2 Å²	137.2	78%	0.784	82%	0.823	S	S	*	*			trans	159.1	101.7	165.4	0	0	0	0	0	107.5
472	G	31.1	Very low	33.3	Very low	78 Å²	78	135.6 Å²	135.6	80%	0.804	82%	0.82	S	S	*	*				79.8	117	66.6	0	0	0	0	0	107.8
473	D	34.3	Very low	33.6	Very low	125 Å²	125	138.2 Å²	138.2	67%	0.668	82%	0.819	S	S	*	*			cis	-173.7	146.4	43.4	-135.8	-1.8	0	0	0	110.2
474	K	35.2	Very low	33.7	Very low	158 Å²	158	142.9 Å²	142.9	69%	0.687	82%	0.821	S	S	*	*			trans	48.4	151.7	139.1	-66.8	164.4	-168.4	146.2	0	121.4
475	N	33.3	Very low	34.1	Very low	146 Å²	146	144.8 Å²	144.8	78%	0.781	82%	0.822	S	S	*	*			cis	-174.9	138.3	-11.1	-114.1	-5.9	0	0	0	103
476	E	36.2	Very low	34.1	Very low	196 Å²	196	144.2 Å²	144.2	92%	0.916	82%	0.821	S	S	*	*				-177.1	135.2	122.9	-108.7	178.5	176.3	0	0	112.2
477	T	34.5	Very low	34.4	Very low	126 Å²	126	143.7 Å²	143.7	77%	0.773	82%	0.823	S	S	*	*			trans	-83.4	147.3	-176.4	39.5	0	0	0	0	113.1
478	T	37.5	Very low	34.7	Very low	149 Å²	149	141.2 Å²	141.2	91%	0.914	82%	0.822	S	S	*	*				-156.6	126.2	127.8	27.4	0	0	0	0	110
479	A	34.8	Very low	35	Very low	90 Å²	90	140.5 Å²	140.5	74%	0.744	82%	0.822	S	S	*	*			trans	-89.3	161.9	172.1	0	0	0	0	0	111.2
480	I	37.7	Very low	35.4	Very low	181 Å²	181	137.8 Å²	137.8	93%	0.928	82%	0.82	S	S	*	*				165.2	130.3	128.1	-81	155.2	0	0	0	108.5
481	G	37.4	Very low	35.5	Very low	71 Å²	71	133.6 Å²	133.6	73%	0.732	81%	0.812	S	S	*	*			trans	149.3	75.4	158.6	0	0	0	0	0	114.8
482	D	33.6	Very low	36.1	Very low	159 Å²	159	141.4 Å²	141.4	85%	0.85	82%	0.818	S	S	*	*			trans	-66.4	150.1	172.3	-60.3	-58.1	0	0	0	113.8
483	E	36.8	Very low	37	Very low	178 Å²	178	147 Å²	147	83%	0.832	85%	0.845	S	S	*	*				167.6	103.2	126.8	-93.6	-178.3	177.2	0	0	109.1
484	E	33	Very low	37.1	Very low	174 Å²	174	148.1 Å²	148.1	81%	0.813	85%	0.853	S	S	*	*				48.6	109.8	111	-74.5	-170.9	159.7	0	0	114.1
485	T	37.3	Very low	37.2	Very low	141 Å²	141	147.6 Å²	147.6	87%	0.865	86%	0.862	S	S	*	*				-166.9	131.2	82.5	26.9	0	0	0	0	111.4
486	S	34.4	Very low	37.4	Very low	119 Å²	119	147.7 Å²	147.7	83%	0.832	87%	0.867	S	S	*	*			trans	-78.8	140.9	169.4	52.4	0	0	0	0	112.1
487	A	38.7	Very low	37.5	Very low	104 Å²	104	144.8 Å²	144.8	86%	0.86	86%	0.864	S	S	*	*			trans	-153.9	113.4	142.1	0	0	0	0	0	109.8
488	E	37.2	Very low	37.7	Very low	185 Å²	185	146 Å²	146	86%	0.864	87%	0.869	S	S	*	*			trans	-72.2	152.6	176	-68.6	173.8	128.6	0	0	113
489	A	35.9	Very low	37.7	Very low	86 Å²	86	145.8 Å²	145.8	71%	0.711	87%	0.866	S	S	*	*			trans	41.9	126.6	133.7	0	0	0	0	0	120.4
490	T	41.7	Very low	37.9	Very low	147 Å²	147	149.8 Å²	149.8	90%	0.902	88%	0.875	S	S	*	*				-171	135.9	99.7	16.7	0	0	0	0	113
491	C	33.2	Very low	38	Very low	117 Å²	117	147.4 Å²	147.4	79%	0.791	87%	0.871	S	S	*	*			trans	-85.4	137.3	167.1	-179.6	0	0	0	0	109.5
492	R	43.9	Very low	38	Very low	239 Å²	239	153.8 Å²	153.8	90%	0.902	88%	0.883	S	S	*	*			trans	149.2	112	138.2	-83.5	178.4	-177.2	-168.8	1.4	112.8
493	S	50.4	Low	38.4	Very low	196 Å²	196	153.3 Å²	153.3	100%	1.371	89%	0.886	S	S	*	*				-165.3	0	125.5	63.1	0	0	0	0	109.1

Retrieved 493 of 493 residues in 94.2 ms (Link to these results)

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