A0A087XKT4_POEFO Loading...

Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha

AlphaFold DB , UniProt , Accession A0A087XKT4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 443 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	38.2	Very low	36.7	Very low	245 Å²	245	127.3 Å²	127.3	100%	1.207	85%	0.847	S	S	*	*				0	147.8	0	-76.9	-136.8	-87	0	0	108.7
2	A	31.6	Very low	36.8	Very low	102 Å²	102	124.7 Å²	124.7	84%	0.843	84%	0.842	S	S	*	*			trans	-42.1	159.6	-174.6	0	0	0	0	0	114.9
3	S	32.1	Very low	37	Very low	114 Å²	114	123.1 Å²	123.1	80%	0.797	83%	0.834	S	S	*	*			cis	-173.2	157.7	45.7	164.7	0	0	0	0	111.1
4	A	34.4	Very low	37.1	Very low	92 Å²	92	128.2 Å²	128.2	76%	0.76	84%	0.835	S	S	*	*			trans	-36.7	160.4	167.9	0	0	0	0	0	116.7
5	A	35.7	Very low	37.3	Very low	99 Å²	99	127.8 Å²	127.8	82%	0.818	83%	0.829	S	S	*	*			cis	-156.3	137.2	38.4	0	0	0	0	0	113.3
6	S	38.1	Very low	37.5	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	83%	0.83	S	S	*	*			trans	-93.7	134.5	173.2	175.3	0	0	0	0	110.2	A8	S6-A8 PolarHBondContact O-N 3.2Å
7	I	41.1	Very low	37.7	Very low	160 Å²	160	132 Å²	132	82%	0.821	83%	0.829	S	S	*	*			trans	-58.8	121.1	171.6	-64.9	165.9	0	0	0	108.9
8	A	35.7	Very low	37.9	Very low	103 Å²	103	135.3 Å²	135.3	85%	0.851	83%	0.829	S	S	*	*			trans	-88.8	107.9	174	0	0	0	0	0	109.8	S6	S6-A8 PolarHBondContact O-N 3.2Å
9	A	44	Very low	38.1	Very low	97 Å²	97	138.6 Å²	138.6	80%	0.802	83%	0.831	S	S	*	*			trans	-125.2	107.4	160.1	0	0	0	0	0	107.8
10	S	36.3	Very low	38.2	Very low	112 Å²	112	140.1 Å²	140.1	78%	0.783	83%	0.826	S	S	*	*			trans	-150.9	93.8	171.6	-176	0	0	0	0	110.9
11	I	36.9	Very low	38.1	Very low	159 Å²	159	142 Å²	142	82%	0.815	83%	0.826	S	S	*	*			trans	23.4	101.2	141.3	-51.4	173.8	0	0	0	116	S13	I11-S13 PolarHBondContact O-N 3.06Å
12	A	38.1	Very low	38.3	Very low	96 Å²	96	138.7 Å²	138.7	79%	0.793	81%	0.805	S	S	*	*			trans	-69.5	109.3	163.7	0	0	0	0	0	110.5	K14	A12-K14 PolarHBondContact O-N 3.38Å
13	S	39.5	Very low	38.4	Very low	104 Å²	104	140.2 Å²	140.2	73%	0.727	80%	0.804	S	S	*	*			trans	-68.4	108.2	166.5	176.1	0	0	0	0	109.5	I11 T15	I11-S13 PolarHBondContact O-N 3.06Å; S13-T15 PolarHBondContact O-N 3.44Å; S13-T15 VanDerWaalsContact O-N 3.1Å
14	K	38.3	Very low	38.8	Very low	195 Å²	195	138.9 Å²	138.9	85%	0.848	80%	0.8	S	S	*	*			trans	-73.7	95.2	171.5	-73.6	-178.7	178.7	177	0	109.2	A12 K16	A12-K14 PolarHBondContact O-N 3.38Å; K14-K16 PolarHBondContact O-N 2.8Å
15	T	39.2	Very low	39	Very low	122 Å²	122	142.4 Å²	142.4	75%	0.748	80%	0.8	S	S	*	*			trans	-68	102.1	168.9	-27.5	0	0	0	0	108.7	S13 T17	S13-T15 PolarHBondContact O-N 3.44Å; S13-T15 VanDerWaalsContact O-N 3.1Å; T15-T17 PolarHBondContact O-N 3.21Å
16	K	40.4	Very low	39.2	Very low	196 Å²	196	147.8 Å²	147.8	85%	0.852	81%	0.805	S	S	*	*			trans	-65.4	99.3	170.8	-77	-176.8	178.1	177.5	0	108.6	K14 K18	K14-K16 PolarHBondContact O-N 2.8Å; K16-K18 VanDerWaalsContact C-N 3.35Å; K16-K18 PolarHBondContact O-N 3.42Å
17	T	42.1	Very low	40	Very low	131 Å²	131	145.8 Å²	145.8	80%	0.804	79%	0.788	S	S	*	*			trans	-66.6	95.4	163.7	36	0	0	0	0	108.1	T15 K19	T15-T17 PolarHBondContact O-N 3.21Å; T17-K19 PolarHBondContact O-N 3.03Å
18	K	40.6	Very low	41	Very low	191 Å²	191	142.4 Å²	142.4	83%	0.83	77%	0.767	S	S	*	*			trans	-61.4	105.6	162.6	-79.2	-174.1	176.4	-178.7	0	106.4	K16 K20	K16-K18 VanDerWaalsContact C-N 3.35Å; K16-K18 PolarHBondContact O-N 3.42Å; K18-K20 VanDerWaalsContact C-N 3.28Å; K18-K20 PolarHBondContact O-N 3.41Å
19	K	41.5	Very low	42.4	Very low	199 Å²	199	140.6 Å²	140.6	87%	0.865	74%	0.743	S	S	*	*			trans	-56.6	99.6	162.4	-90.6	-175.2	174.9	-179.8	0	106.3	T17 H21	T17-K19 PolarHBondContact O-N 3.03Å; K19-H21 PolarHBondContact O-N 3.34Å; K19-H21 VanDerWaalsContact O-N 3.08Å
20	K	39.8	Very low	43.9	Very low	167 Å²	167	136.3 Å²	136.3	73%	0.726	71%	0.706	S	S	*	*			trans	-65.8	108.9	167.9	-69.5	-174	178.9	-178.3	0	105.4	K18 F22	K18-K20 VanDerWaalsContact C-N 3.28Å; K18-K20 PolarHBondContact O-N 3.41Å; K20-F22 VanDerWaalsContact C-N 3.27Å; K20-F22 HydrophobicContact CB-CD2 4.36Å; K20-F22 HydrophobicContact CB-CE2 4.07Å; K20-F22 PolarHBondContact O-N 2.94Å
21	H	35.8	Very low	45.7	Very low	182 Å²	182	138.5 Å²	138.5	84%	0.843	70%	0.697	S	S	*	*			trans	-65.6	98.7	161.5	-104.5	-77.8	0	0	0	106.1	K19 V23	K19-H21 PolarHBondContact O-N 3.34Å; K19-H21 VanDerWaalsContact O-N 3.08Å; H21-V23 PolarHBondContact O-N 3.15Å; H21-V23 VanDerWaalsContact O-N 3.15Å
22	F	42.8	Very low	47.5	Very low	175 Å²	175	132.2 Å²	132.2	77%	0.768	67%	0.669	S	S	*	*			trans	-66.3	110.3	159.6	-70.9	-87	0	0	0	105.3	K20 A24	K20-F22 VanDerWaalsContact C-N 3.27Å; K20-F22 HydrophobicContact CB-CD2 4.36Å; K20-F22 HydrophobicContact CB-CE2 4.07Å; K20-F22 PolarHBondContact O-N 2.94Å; F22-A24 PolarHBondContact O-N 3.47Å
23	V	35.1	Very low	49.3	Very low	133 Å²	133	133.6 Å²	133.6	81%	0.806	67%	0.673	S	S	*	*			trans	-58.6	113.5	161.3	177.7	0	0	0	0	104.3	H21 Q25	H21-V23 PolarHBondContact O-N 3.15Å; H21-V23 VanDerWaalsContact O-N 3.15Å; V23-Q25 VanDerWaalsContact C-N 3.29Å; V23-Q25 PolarHBondContact O-N 3.36Å
24	A	38.8	Very low	51.5	Low	86 Å²	86	130.4 Å²	130.4	71%	0.711	65%	0.648	S	S	*	*			trans	-59.5	102.2	170	0	0	0	0	0	106	F22 K26	F22-A24 PolarHBondContact O-N 3.47Å; A24-K26 PolarHBondContact O-N 3.47Å
25	Q	39	Very low	53.8	Low	167 Å²	167	124 Å²	124	78%	0.78	63%	0.626	S	S	*	*			trans	-60.3	111.6	172.9	-163.9	173.8	2.1	0	0	104.8	V23 V27	V23-Q25 VanDerWaalsContact C-N 3.29Å; V23-Q25 PolarHBondContact O-N 3.36Å; Q25-V27 HydrophobicContact CB-CG2 4.06Å; Q25-V27 HydrophobicContact CG-CG2 3.83Å; Q25-V27 PolarHBondContact O-N 3.13Å
26	K	40.4	Very low	56.2	Low	212 Å²	212	119.1 Å²	119.1	92%	0.922	60%	0.595	S	S	*	*			trans	-69.8	71.4	175.6	-75.5	-175.4	177.1	-179.1	0	107.8	A24 K28	A24-K26 PolarHBondContact O-N 3.47Å; K26-K28 PolarHBondContact O-N 3.07Å
27	V	55.1	Low	58.6	Low	74 Å²	74	110 Å²	110	45%	0.448	56%	0.556	S	S	.	*			trans	-73.6	125.5	172.4	-174.1	0	0	0	0	106.2	Q25 L29	Q25-V27 HydrophobicContact CB-CG2 4.06Å; Q25-V27 HydrophobicContact CG-CG2 3.83Å; Q25-V27 PolarHBondContact O-N 3.13Å; V27-L29 PolarHBondContact O-N 3.41Å; V27-L29 VanDerWaalsContact O-N 3.08Å
28	K	61	Low	61	Low	90 Å²	90	103.9 Å²	103.9	39%	0.391	52%	0.518	S	S	.	.			trans	-54.7	116.9	172.5	-171.8	175.9	176.4	-170.6	0	107.4	K26 F30 T116	K26-K28 PolarHBondContact O-N 3.07Å; K28-F30 HydrophobicContact CB-CE1 4.36Å; K28-F30 HydrophobicContact CB-CE2 4.46Å; K28-F30 HydrophobicContact CB-CZ 3.98Å; K28-F30 HydrophobicContact CD-CE1 3.62Å; K28-F30 HydrophobicContact CD-CZ 3.85Å; K28-F30 HydrophobicContact CG-CD1 4.48Å; K28-F30 HydrophobicContact CG-CE1 3.81Å; K28-F30 HydrophobicContact CG-CZ 3.94Å; K28-F30 WeakPolarHBondContact O-CE2 3.38Å; K28-T116 PolarHBondContact NZ-OG1 3.28Å
29	L	65.1	Low	63.5	Low	64 Å²	64	94.8 Å²	94.8	34%	0.335	48%	0.479	S	S	.	.			trans	-83.8	115.9	179	-114.7	80.7	0	0	0	108.7	V27 N82	V27-L29 PolarHBondContact O-N 3.41Å; V27-L29 VanDerWaalsContact O-N 3.08Å; L29-N82 HydrophobicContact CD2-CB 3.67Å; L29-N82 VanDerWaalsContact CD2-ND2 3.27Å; L29-N82 WeakPolarHBondContact CD2-ND2 3.01Å; L29-N82 WeakPolarHBondContact CD2-OD1 3.03Å; L29-N82 HydrophobicContact CG-CB 4.26Å
30	F	75.8	Confident	66.1	Low	7 Å²	7	85.4 Å²	85.4	3%	0.031	44%	0.438	C	S	.	.			trans	-88.4	114.5	174.4	-54.6	-71.5	0	0	0	108.4	K28 M41 W42 N45 T116	K28-F30 HydrophobicContact CB-CE1 4.36Å; K28-F30 HydrophobicContact CB-CE2 4.46Å; K28-F30 HydrophobicContact CB-CZ 3.98Å; K28-F30 HydrophobicContact CD-CE1 3.62Å; K28-F30 HydrophobicContact CD-CZ 3.85Å; K28-F30 HydrophobicContact CG-CD1 4.48Å; K28-F30 HydrophobicContact CG-CE1 3.81Å; K28-F30 HydrophobicContact CG-CZ 3.94Å; K28-F30 WeakPolarHBondContact O-CE2 3.38Å; F30-M41 HydrophobicContact CB-CB 3.76Å; F30-M41 HydrophobicContact CB-CE 4.32Å; F30-M41 HydrophobicContact CB-SD 4.37Å; F30-M41 HydrophobicContact CD1-CB 3.84Å; F30-M41 HydrophobicContact CD1-CE 4.09Å; F30-M41 HydrophobicContact CG-CB 3.87Å; F30-W42 HydrophobicContact CD2-CB 3.78Å; F30-W42 HydrophobicContact CD2-CG 4.32Å; F30-W42 HydrophobicContact CE2-CB 4.35Å; F30-N45 HydrophobicContact CE1-CB 4.13Å; F30-N45 HydrophobicContact CE2-CB 3.98Å; F30-N45 HydrophobicContact CZ-CB 3.44Å; F30-N45 VanDerWaalsContact CZ-CB 3.44Å; F30-N45 VanDerWaalsContact CZ-CG 3.4Å; F30-T116 HydrophobicContact CE1-CG2 4.45Å
31	R	74.6	Confident	68.7	Low	159 Å²	159	77.6 Å²	77.6	60%	0.6	40%	0.404	S	S	*	.			trans	-118.9	126.7	-176.8	-63.7	-173.2	178.1	108.8	-9.9	109.5	N82	R31-N82 PolarHBondContact NE-OD1 3.17Å
32	A	73.6	Confident	71.5	Confident	27 Å²	27	71.4 Å²	71.4	22%	0.223	37%	0.373	C	S	.	.			trans	-141.3	155.5	167.8	0	0	0	0	0	109	D34 L37 S38 A119	A32-D34 VanDerWaalsContact C-N 3.28Å; A32-L37 HydrophobicContact CB-CB 3.58Å; A32-L37 HydrophobicContact CB-CD1 4.47Å; A32-S38 PolarHBondContact N-OG 3.03Å; A32-A119 HydrophobicContact CB-CB 3.81Å
33	S	76.8	Confident	74	Confident	124 Å²	124	63.1 Å²	63.1	87%	0.867	34%	0.337	S	S	*	.	S	Bend	trans	-65.1	-34.3	173.6	49.3	0	0	0	0	111.9
34	D	84.9	Confident	77	Confident	38 Å²	38	56.8 Å²	56.8	20%	0.203	30%	0.298	C	S	.	.	S	Bend	trans	-88.3	119.3	171.7	-174.5	-12	0	0	0	110.3	A32 L36 L37 S38 R132	A32-D34 VanDerWaalsContact C-N 3.28Å; D34-L36 PolarHBondContact O-N 3Å; D34-L36 VanDerWaalsContact O-N 3.17Å; D34-L36 WeakPolarHBondContact OD1-CB 3.4Å; D34-L36 PolarHBondContact OD1-N 3.12Å; D34-L37 HydrophobicContact CB-CB 4.43Å; D34-L37 HydrophobicContact CB-CD1 4.14Å; D34-L37 HydrophobicContact CB-CG 4.08Å; D34-L37 PolarHBondContact O-N 3.05Å; D34-S38 PolarHBondContact O-N 2.74Å; D34-R132 IonicContact OD2-NH1 2.86Å; D34-R132 PolarHBondContact OD2-NH1 2.84Å
35	P	87	Confident	79.7	Confident	59 Å²	59	54.4 Å²	54.4	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-55.5	-29.9	175.4	-23	32.4	0	0	0	114.3	L37 S38 V39 P84 V185	P35-L37 VanDerWaalsContact C-N 3.34Å; P35-L37 PolarHBondContact O-N 2.76Å; P35-S38 PolarHBondContact O-N 2.7Å; P35-V39 WeakPolarHBondContact O-CG2 3.37Å; P35-V39 PolarHBondContact O-N 3.06Å; P35-V39 VanDerWaalsContact O-N 3.1Å; P35-P84 HydrophobicContact CB-CG 3.83Å; P35-V185 HydrophobicContact CB-CG1 4.38Å
36	L	89.6	Confident	82.3	Confident	21 Å²	21	49 Å²	49	11%	0.11	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-41.4	175.3	-79.1	163.4	0	0	0	111.7	D34 V39 L40 L183 V185	D34-L36 PolarHBondContact O-N 3Å; D34-L36 VanDerWaalsContact O-N 3.17Å; D34-L36 WeakPolarHBondContact OD1-CB 3.4Å; D34-L36 PolarHBondContact OD1-N 3.12Å; L36-V39 PolarHBondContact O-N 3.06Å; L36-L40 WeakPolarHBondContact O-CB 3.25Å; L36-L40 PolarHBondContact O-N 2.66Å; L36-L183 HydrophobicContact CD2-CB 4.05Å; L36-L183 HydrophobicContact CD2-CD1 4.08Å; L36-V185 HydrophobicContact CD2-CB 4.27Å; L36-V185 HydrophobicContact CD2-CG2 3.83Å; L36-V185 HydrophobicContact CG-CG2 4.48Å
37	L	91.8	Very high	85	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-69.4	-37.8	179.9	-66.4	-179.5	0	0	0	111.4	A32 D34 P35 V39 L40 M41 P120	A32-L37 HydrophobicContact CB-CB 3.58Å; A32-L37 HydrophobicContact CB-CD1 4.47Å; D34-L37 HydrophobicContact CB-CB 4.43Å; D34-L37 HydrophobicContact CB-CD1 4.14Å; D34-L37 HydrophobicContact CB-CG 4.08Å; D34-L37 PolarHBondContact O-N 3.05Å; P35-L37 VanDerWaalsContact C-N 3.34Å; P35-L37 PolarHBondContact O-N 2.76Å; L37-V39 VanDerWaalsContact C-N 3.31Å; L37-V39 PolarHBondContact O-N 3.17Å; L37-L40 HydrophobicContact CD2-CD2 4.32Å; L37-L40 WeakPolarHBondContact O-CB 3.45Å; L37-L40 PolarHBondContact O-N 3.23Å; L37-M41 WeakPolarHBondContact O-CB 3.17Å; L37-M41 WeakPolarHBondContact O-CG 2.85Å; L37-M41 PolarHBondContact O-N 3.28Å; L37-P120 HydrophobicContact CD2-CB 4.44Å; L37-P120 HydrophobicContact CD2-CG 4.39Å
38	S	91.4	Very high	86.9	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-60.4	-42.3	173	-56.5	0	0	0	0	111.5	A32 D34 P35 W42 M83	A32-S38 PolarHBondContact N-OG 3.03Å; D34-S38 PolarHBondContact O-N 2.74Å; P35-S38 PolarHBondContact O-N 2.7Å; S38-W42 WeakPolarHBondContact O-CB 3.38Å; S38-W42 PolarHBondContact O-N 2.93Å; S38-M83 VanDerWaalsContact CB-SD 3.54Å
39	V	93.8	Very high	88.5	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.8	-38.8	175.7	175.7	0	0	0	0	112.5	P35 L36 L37 G43 M83 P84 F87 L183 V185	P35-V39 WeakPolarHBondContact O-CG2 3.37Å; P35-V39 PolarHBondContact O-N 3.06Å; P35-V39 VanDerWaalsContact O-N 3.1Å; L36-V39 PolarHBondContact O-N 3.06Å; L37-V39 VanDerWaalsContact C-N 3.31Å; L37-V39 PolarHBondContact O-N 3.17Å; V39-G43 PolarHBondContact O-N 3.32Å; V39-M83 HydrophobicContact CG2-CE 3.92Å; V39-P84 HydrophobicContact CG2-CG 3.82Å; V39-F87 HydrophobicContact CB-CD2 4.28Å; V39-F87 HydrophobicContact CG1-CB 4.26Å; V39-F87 HydrophobicContact CG1-CD2 3.41Å; V39-F87 VanDerWaalsContact CG1-CD2 3.41Å; V39-F87 HydrophobicContact CG1-CE2 3.93Å; V39-F87 HydrophobicContact CG1-CG 4.01Å; V39-F87 HydrophobicContact CG2-CB 3.95Å; V39-F87 HydrophobicContact CG2-CD1 4.05Å; V39-F87 HydrophobicContact CG2-CD2 3.86Å; V39-F87 HydrophobicContact CG2-CE2 4.35Å; V39-F87 HydrophobicContact CG2-CG 3.69Å; V39-L183 HydrophobicContact CG1-CD2 4.2Å; V39-V185 HydrophobicContact CB-CG2 4.21Å; V39-V185 HydrophobicContact CG1-CG2 4.38Å; V39-V185 HydrophobicContact CG2-CG2 3.87Å
40	L	95.6	Very high	89.8	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-52.5	174.2	-178.5	66.5	0	0	0	111.1	L36 L37 W42 G43 I44 I143 Y181 L183 M192	L36-L40 WeakPolarHBondContact O-CB 3.25Å; L36-L40 PolarHBondContact O-N 2.66Å; L37-L40 HydrophobicContact CD2-CD2 4.32Å; L37-L40 WeakPolarHBondContact O-CB 3.45Å; L37-L40 PolarHBondContact O-N 3.23Å; L40-W42 PolarHBondContact O-N 3.33Å; L40-G43 PolarHBondContact O-N 3.13Å; L40-I44 HydrophobicContact CD1-CD1 3.74Å; L40-I44 HydrophobicContact CD1-CG1 4.21Å; L40-I44 HydrophobicContact CG-CD1 3.8Å; L40-I44 WeakPolarHBondContact O-CG1 3.46Å; L40-I44 PolarHBondContact O-N 3.35Å; L40-I143 HydrophobicContact CD2-CD1 3.9Å; L40-I143 HydrophobicContact CD2-CG1 4.41Å; L40-I143 HydrophobicContact CD2-CG2 3.99Å; L40-Y181 HydrophobicContact CD1-CD2 4.07Å; L40-L183 HydrophobicContact CB-CD1 3.93Å; L40-L183 HydrophobicContact CD1-CD1 4.32Å; L40-L183 HydrophobicContact CD1-CD2 4.31Å; L40-M192 HydrophobicContact CD1-SD 4.03Å; L40-M192 HydrophobicContact CD2-SD 3.85Å; L40-M192 HydrophobicContact CG-SD 4.4Å
41	M	95.5	Very high	90.5	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-45.2	-179.1	-67.6	167.8	78.5	0	0	111.4	F30 L37 N45 L115 T116 A119	F30-M41 HydrophobicContact CB-CB 3.76Å; F30-M41 HydrophobicContact CB-CE 4.32Å; F30-M41 HydrophobicContact CB-SD 4.37Å; F30-M41 HydrophobicContact CD1-CB 3.84Å; F30-M41 HydrophobicContact CD1-CE 4.09Å; F30-M41 HydrophobicContact CG-CB 3.87Å; L37-M41 WeakPolarHBondContact O-CB 3.17Å; L37-M41 WeakPolarHBondContact O-CG 2.85Å; L37-M41 PolarHBondContact O-N 3.28Å; M41-N45 WeakPolarHBondContact O-CB 3.29Å; M41-N45 PolarHBondContact O-N 3.28Å; M41-L115 WeakPolarHBondContact CG-O 3.47Å; M41-T116 HydrophobicContact CB-CG2 4.36Å; M41-T116 VanDerWaalsContact CE-O 3.31Å; M41-T116 WeakPolarHBondContact CE-O 3.49Å; M41-T116 VanDerWaalsContact O-CG2 3.27Å; M41-T116 WeakPolarHBondContact O-CG2 3.35Å; M41-A119 HydrophobicContact SD-CB 4.2Å
42	W	94.3	Very high	91.3	Very high	53 Å²	53	32.1 Å²	32.1	20%	0.201	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-46.1	175.9	179.3	90.2	0	0	0	111.9	F30 S38 L40 N45 H46 I71 V73 M83 F87 F89	F30-W42 HydrophobicContact CD2-CB 3.78Å; F30-W42 HydrophobicContact CD2-CG 4.32Å; F30-W42 HydrophobicContact CE2-CB 4.35Å; S38-W42 WeakPolarHBondContact O-CB 3.38Å; S38-W42 PolarHBondContact O-N 2.93Å; L40-W42 PolarHBondContact O-N 3.33Å; W42-N45 PolarHBondContact O-N 3.48Å; W42-H46 HydrophobicContact CH2-CB 4.48Å; W42-H46 HydrophobicContact CZ3-CB 4.49Å; W42-H46 WeakPolarHBondContact O-CB 3.44Å; W42-H46 PolarHBondContact O-N 3.04Å; W42-I71 HydrophobicContact CH2-CG2 3.87Å; W42-I71 HydrophobicContact CZ3-CG2 4.35Å; W42-V73 HydrophobicContact CH2-CG2 3.44Å; W42-V73 VanDerWaalsContact CH2-CG2 3.44Å; W42-V73 HydrophobicContact CZ2-CG2 3.86Å; W42-V73 HydrophobicContact CZ3-CG2 3.97Å; W42-M83 HydrophobicContact CB-CE 3.67Å; W42-M83 HydrophobicContact CB-SD 4.39Å; W42-M83 HydrophobicContact CD2-CE 4.45Å; W42-M83 HydrophobicContact CG-CE 3.85Å; W42-F87 HydrophobicContact CD2-CE2 4.08Å; W42-F87 AromaticContact CD2-CZ 3.94Å; W42-F87 HydrophobicContact CD2-CZ 3.94Å; W42-F87 AromaticContact CE3-CE2 3.48Å; W42-F87 HydrophobicContact CE3-CE2 3.48Å; W42-F87 VanDerWaalsContact CE3-CE2 3.48Å; W42-F87 AromaticContact CE3-CZ 3.82Å; W42-F87 HydrophobicContact CE3-CZ 3.82Å; W42-F87 HydrophobicContact CH2-CE2 4.34Å; W42-F87 HydrophobicContact CH2-CZ 4.47Å; W42-F87 AromaticContact CZ3-CE2 3.64Å; W42-F87 HydrophobicContact CZ3-CE2 3.64Å; W42-F87 HydrophobicContact CZ3-CZ 4.11Å; W42-F89 HydrophobicContact CZ3-CB 4.41Å
43	G	95.7	Very high	92.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.8	-42.3	-176.4	0	0	0	0	0	113.2	V39 L40 H46 S47 F89	V39-G43 PolarHBondContact O-N 3.32Å; L40-G43 PolarHBondContact O-N 3.13Å; G43-H46 PolarHBondContact O-N 3.01Å; G43-S47 VanDerWaalsContact O-CB 3.29Å; G43-S47 WeakPolarHBondContact O-CB 3.43Å; G43-S47 PolarHBondContact O-N 2.91Å; G43-F89 WeakPolarHBondContact O-CE1 3.45Å
44	I	97.1	Very high	92.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-50.1	173.6	-68.8	170.7	0	0	0	109.8	L40 H46 S47 I48 F111 L115 T116 Y181	L40-I44 HydrophobicContact CD1-CD1 3.74Å; L40-I44 HydrophobicContact CD1-CG1 4.21Å; L40-I44 HydrophobicContact CG-CD1 3.8Å; L40-I44 WeakPolarHBondContact O-CG1 3.46Å; L40-I44 PolarHBondContact O-N 3.35Å; I44-H46 VanDerWaalsContact C-N 3.27Å; I44-H46 PolarHBondContact O-N 3.49Å; I44-S47 PolarHBondContact O-N 3.45Å; I44-I48 HydrophobicContact CG2-CG1 4.18Å; I44-I48 WeakPolarHBondContact O-CG1 3.33Å; I44-I48 PolarHBondContact O-N 3.03Å; I44-F111 HydrophobicContact CG2-CE1 4.3Å; I44-L115 HydrophobicContact CD1-CB 4.11Å; I44-L115 HydrophobicContact CD1-CD1 3.87Å; I44-L115 HydrophobicContact CG2-CB 4.46Å; I44-L115 HydrophobicContact CG2-CD1 4.45Å; I44-T116 HydrophobicContact CB-CG2 4.24Å; I44-T116 HydrophobicContact CG2-CG2 4.11Å; I44-Y181 HydrophobicContact CD1-CE2 4.11Å; I44-Y181 HydrophobicContact CG1-CE1 4.39Å; I44-Y181 HydrophobicContact CG1-CE2 4.07Å
45	N	95.4	Very high	92.9	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.193	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-43.5	178.1	176.9	89.2	0	0	0	111.5	F30 M41 W42 N49 T116	F30-N45 HydrophobicContact CE1-CB 4.13Å; F30-N45 HydrophobicContact CE2-CB 3.98Å; F30-N45 HydrophobicContact CZ-CB 3.44Å; F30-N45 VanDerWaalsContact CZ-CB 3.44Å; F30-N45 VanDerWaalsContact CZ-CG 3.4Å; M41-N45 WeakPolarHBondContact O-CB 3.29Å; M41-N45 PolarHBondContact O-N 3.28Å; W42-N45 PolarHBondContact O-N 3.48Å; N45-N49 PolarHBondContact ND2-ND2 3.08Å; N45-N49 WeakPolarHBondContact O-CB 3.44Å; N45-N49 VanDerWaalsContact O-CG 3.26Å; N45-N49 PolarHBondContact O-N 3.44Å; N45-N49 PolarHBondContact O-ND2 3.22Å; N45-N49 PolarHBondContact OD1-ND2 3.18Å; N45-T116 HydrophobicContact CB-CG2 4.14Å
46	H	94.4	Very high	92.8	Very high	53 Å²	53	43.8 Å²	43.8	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-64.7	-49.9	177.4	178	80.4	0	0	0	111.8	W42 G43 I44 I48 N49 E50 I71	W42-H46 HydrophobicContact CH2-CB 4.48Å; W42-H46 HydrophobicContact CZ3-CB 4.49Å; W42-H46 WeakPolarHBondContact O-CB 3.44Å; W42-H46 PolarHBondContact O-N 3.04Å; G43-H46 PolarHBondContact O-N 3.01Å; I44-H46 VanDerWaalsContact C-N 3.27Å; I44-H46 PolarHBondContact O-N 3.49Å; H46-I48 PolarHBondContact O-N 3.31Å; H46-N49 PolarHBondContact O-N 3.16Å; H46-E50 IonicContact CE1-OE1 3.98Å; H46-E50 WeakPolarHBondContact O-CG 3.42Å; H46-E50 PolarHBondContact O-N 3.03Å; H46-I71 WeakPolarHBondContact CD2-CD1 3.32Å; H46-I71 WeakPolarHBondContact NE2-CD1 3.28Å
47	S	96	Very high	92.7	Very high	5 Å²	5	45.2 Å²	45.2	4%	0.035	24%	0.236	C	C	.	.	H	α-helix	trans	-55.8	-49.7	179.4	155.2	0	0	0	0	112.3	G43 I44 N49 E50 L51 E91	G43-S47 VanDerWaalsContact O-CB 3.29Å; G43-S47 WeakPolarHBondContact O-CB 3.43Å; G43-S47 PolarHBondContact O-N 2.91Å; I44-S47 PolarHBondContact O-N 3.45Å; S47-N49 PolarHBondContact O-N 3.34Å; S47-E50 PolarHBondContact O-N 3.17Å; S47-L51 WeakPolarHBondContact O-CB 3.15Å; S47-L51 WeakPolarHBondContact O-CG 3.17Å; S47-L51 PolarHBondContact O-N 2.91Å; S47-E91 VanDerWaalsContact CB-OE2 3.31Å; S47-E91 WeakPolarHBondContact CB-OE2 3.47Å; S47-E91 PolarHBondContact OG-OE1 3.22Å; S47-E91 PolarHBondContact OG-OE2 3.43Å
48	I	95.6	Very high	92.5	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-40.4	-178.5	-62.7	-44.6	0	0	0	111.8	I44 H46 L51 S52 D108 F111	I44-I48 HydrophobicContact CG2-CG1 4.18Å; I44-I48 WeakPolarHBondContact O-CG1 3.33Å; I44-I48 PolarHBondContact O-N 3.03Å; H46-I48 PolarHBondContact O-N 3.31Å; I48-L51 HydrophobicContact CD1-CD1 4.4Å; I48-L51 PolarHBondContact O-N 3.31Å; I48-S52 PolarHBondContact O-N 3.39Å; I48-D108 HydrophobicContact CG2-CB 4.07Å; I48-D108 WeakPolarHBondContact CG2-O 3.22Å; I48-F111 HydrophobicContact CD1-CD1 4.33Å; I48-F111 HydrophobicContact CG1-CD1 4.47Å
49	N	94.3	Very high	92.5	Very high	56 Å²	56	59.4 Å²	59.4	30%	0.299	31%	0.307	S	S	.	.	H	α-helix	trans	-65.5	-42.8	177.1	-73.8	-42.9	0	0	0	111.7	N45 H46 S47 S52 H53	N45-N49 PolarHBondContact ND2-ND2 3.08Å; N45-N49 WeakPolarHBondContact O-CB 3.44Å; N45-N49 VanDerWaalsContact O-CG 3.26Å; N45-N49 PolarHBondContact O-N 3.44Å; N45-N49 PolarHBondContact O-ND2 3.22Å; N45-N49 PolarHBondContact OD1-ND2 3.18Å; H46-N49 PolarHBondContact O-N 3.16Å; S47-N49 PolarHBondContact O-N 3.34Å; N49-S52 WeakPolarHBondContact O-CB 3.43Å; N49-S52 PolarHBondContact O-N 3.03Å; N49-S52 PolarHBondContact O-OG 2.71Å; N49-H53 PolarHBondContact O-CD2 2.89Å
50	E	92.8	Very high	92.6	Very high	106 Å²	106	61.1 Å²	61.1	50%	0.495	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-43.9	175	-69.4	-64.2	126.3	0	0	111.5	H46 S47 S52 H53	H46-E50 IonicContact CE1-OE1 3.98Å; H46-E50 WeakPolarHBondContact O-CG 3.42Å; H46-E50 PolarHBondContact O-N 3.03Å; S47-E50 PolarHBondContact O-N 3.17Å; E50-S52 PolarHBondContact O-N 3.2Å; E50-H53 WeakPolarHBondContact O-CB 3.47Å; E50-H53 PolarHBondContact O-N 3.21Å; E50-H53 VanDerWaalsContact O-N 3.07Å
51	L	91.4	Very high	92.6	Very high	13 Å²	13	65.9 Å²	65.9	7%	0.068	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-27.9	177.3	-76.6	174.3	0	0	0	113	S47 I48 H53 V54 P94 L95 R98	S47-L51 WeakPolarHBondContact O-CB 3.15Å; S47-L51 WeakPolarHBondContact O-CG 3.17Å; S47-L51 PolarHBondContact O-N 2.91Å; I48-L51 HydrophobicContact CD1-CD1 4.4Å; I48-L51 PolarHBondContact O-N 3.31Å; L51-H53 PolarHBondContact O-N 3.15Å; L51-V54 PolarHBondContact O-N 3Å; L51-P94 HydrophobicContact CD1-CB 4.15Å; L51-P94 HydrophobicContact CD2-CB 3.88Å; L51-P94 HydrophobicContact CG-CB 4.48Å; L51-L95 HydrophobicContact CD2-CD2 4.27Å; L51-R98 PolarHBondContact O-NH1 3.45Å
52	S	91.5	Very high	92.5	Very high	71 Å²	71	69.2 Å²	69.2	50%	0.497	36%	0.362	S	S	.	.	H	α-helix	trans	-64.1	-23	175.6	81.4	0	0	0	0	113.1	I48 N49 E50	I48-S52 PolarHBondContact O-N 3.39Å; N49-S52 WeakPolarHBondContact O-CB 3.43Å; N49-S52 PolarHBondContact O-N 3.03Å; N49-S52 PolarHBondContact O-OG 2.71Å; E50-S52 PolarHBondContact O-N 3.2Å
53	H	90.4	Very high	92.6	Very high	152 Å²	152	72.4 Å²	72.4	70%	0.704	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.5	175.6	-59.4	-50.4	0	0	0	113.1	N49 E50 L51	N49-H53 PolarHBondContact O-CD2 2.89Å; E50-H53 WeakPolarHBondContact O-CB 3.47Å; E50-H53 PolarHBondContact O-N 3.21Å; E50-H53 VanDerWaalsContact O-N 3.07Å; L51-H53 PolarHBondContact O-N 3.15Å
54	V	90.4	Very high	92.7	Very high	69 Å²	69	73.7 Å²	73.7	42%	0.418	39%	0.389	S	S	.	.	S	Bend	trans	-92.8	125.4	178.5	-177.2	0	0	0	0	109.2	L51 L95 R98	L51-V54 PolarHBondContact O-N 3Å; V54-L95 HydrophobicContact CG1-CD2 4.11Å; V54-R98 PolarHBondContact O-NH1 2.71Å
55	Q	86.2	Confident	92.8	Very high	179 Å²	179	74.7 Å²	74.7	84%	0.836	39%	0.394	S	S	*	.			trans	-58	143.8	177.3	-66.4	177.5	-3.3	0	0	111.4	P57 R98	Q55-P57 WeakPolarHBondContact O-CD 3.35Å; Q55-R98 PolarHBondContact O-NH2 3.26Å
56	V	86.7	Confident	92.8	Very high	94 Å²	94	80.5 Å²	80.5	57%	0.57	42%	0.417	S	S	*	.			trans	-75.4	115.5	175.6	-176.5	0	0	0	0	108.5
57	P	87.3	Confident	93	Very high	50 Å²	50	79.8 Å²	79.8	33%	0.325	42%	0.42	S	S	.	.			trans	-71	144.8	179.6	31.1	-35.1	0	0	0	110.2	Q55 M59 L60	Q55-P57 WeakPolarHBondContact O-CD 3.35Å; P57-M59 PolarHBondContact O-N 3.4Å; P57-L60 HydrophobicContact CG-CD2 4.27Å
58	I	86.3	Confident	93.1	Very high	174 Å²	174	86.2 Å²	86.2	89%	0.892	45%	0.445	S	S	*	.	S	Bend	trans	-62.8	-35.1	176.6	-60.5	172.7	0	0	0	110.9
59	M	91.1	Very high	93.2	Very high	132 Å²	132	88.6 Å²	88.6	65%	0.65	46%	0.462	S	S	*	.	S	Bend	trans	-140.8	146.3	178.6	63.2	-178.7	69.2	0	0	110.5	P57 M61	P57-M59 PolarHBondContact O-N 3.4Å; M59-M61 HydrophobicContact CG-SD 4.34Å; M59-M61 HydrophobicContact SD-SD 4.49Å
60	L	95.8	Very high	93.3	Very high	35 Å²	35	90.9 Å²	90.9	18%	0.183	47%	0.469	C	S	.	.			trans	-80.6	134.4	172.7	-64.1	174.8	0	0	0	110.2	P57 D64 F65 L95 V96 N99 H162	P57-L60 HydrophobicContact CG-CD2 4.27Å; L60-D64 WeakPolarHBondContact CA-OD2 3.44Å; L60-D64 HydrophobicContact CD2-CB 4.42Å; L60-F65 HydrophobicContact CB-CE2 3.97Å; L60-F65 HydrophobicContact CB-CZ 4.37Å; L60-F65 HydrophobicContact CD1-CE2 4.44Å; L60-F65 HydrophobicContact CD1-CZ 4.08Å; L60-L95 HydrophobicContact CD2-CB 4.07Å; L60-V96 HydrophobicContact CD1-CB 4.35Å; L60-V96 HydrophobicContact CD1-CG1 4.26Å; L60-V96 HydrophobicContact CD1-CG2 4.22Å; L60-N99 HydrophobicContact CD1-CB 4.13Å; L60-H162 WeakPolarHBondContact CD1-NE2 3.37Å
61	M	95.7	Very high	93.4	Very high	102 Å²	102	87.5 Å²	87.5	50%	0.502	45%	0.454	S	S	.	.			trans	-92	156.4	177.4	-61.5	-57	-69.7	0	0	110.8	M59 D63 D64 F65	M59-M61 HydrophobicContact CG-SD 4.34Å; M59-M61 HydrophobicContact SD-SD 4.49Å; M61-D63 PolarHBondContact O-N 3.29Å; M61-D63 VanDerWaalsContact O-N 3.08Å; M61-D64 PolarHBondContact N-OD2 2.83Å; M61-D64 WeakPolarHBondContact O-CB 3.43Å; M61-D64 PolarHBondContact O-N 3.05Å; M61-F65 WeakPolarHBondContact O-CD2 3.49Å
62	P	95.3	Very high	93.5	Very high	73 Å²	73	92.5 Å²	92.5	47%	0.474	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-30	177.7	-28.3	36.2	0	0	0	114.7	D64 F65	P62-D64 VanDerWaalsContact C-N 3.33Å; P62-F65 PolarHBondContact O-N 2.79Å
63	D	96.3	Very high	93.3	Very high	120 Å²	120	90 Å²	90	64%	0.642	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-25.9	178.9	-68.8	-22.4	0	0	0	112.7	M61 F65 K66 A67	M61-D63 PolarHBondContact O-N 3.29Å; M61-D63 VanDerWaalsContact O-N 3.08Å; D63-F65 PolarHBondContact O-N 3.28Å; D63-K66 CarbonylContact O-C 3.59Å; D63-K66 PolarHBondContact O-N 3.15Å; D63-A67 PolarHBondContact O-N 2.94Å
64	D	97.6	Very high	93	Very high	26 Å²	26	86 Å²	86	14%	0.139	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.8	177	-61.7	-34.9	0	0	0	111.6	L60 M61 P62 K66 A67 V96	L60-D64 WeakPolarHBondContact CA-OD2 3.44Å; L60-D64 HydrophobicContact CD2-CB 4.42Å; M61-D64 PolarHBondContact N-OD2 2.83Å; M61-D64 WeakPolarHBondContact O-CB 3.43Å; M61-D64 PolarHBondContact O-N 3.05Å; P62-D64 VanDerWaalsContact C-N 3.33Å; D64-K66 PolarHBondContact O-N 3.47Å; D64-A67 PolarHBondContact O-N 3.28Å; D64-V96 HydrophobicContact CB-CG2 4.01Å; D64-V96 WeakPolarHBondContact O-CG2 3.44Å
65	F	98	Very high	92.3	Very high	22 Å²	22	84.7 Å²	84.7	10%	0.096	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.3	176.8	-66.1	-90.5	0	0	0	113.9	L60 M61 P62 D63 C93 V96 H155 L158 K159 H162	L60-F65 HydrophobicContact CB-CE2 3.97Å; L60-F65 HydrophobicContact CB-CZ 4.37Å; L60-F65 HydrophobicContact CD1-CE2 4.44Å; L60-F65 HydrophobicContact CD1-CZ 4.08Å; M61-F65 WeakPolarHBondContact O-CD2 3.49Å; P62-F65 PolarHBondContact O-N 2.79Å; D63-F65 PolarHBondContact O-N 3.28Å; F65-C93 PolarHBondContact O-SG 3.09Å; F65-V96 HydrophobicContact CD1-CG1 4.05Å; F65-V96 HydrophobicContact CD1-CG2 3.9Å; F65-V96 HydrophobicContact CD2-CG2 4.32Å; F65-V96 HydrophobicContact CE1-CB 4.47Å; F65-V96 HydrophobicContact CE1-CG1 3.6Å; F65-V96 HydrophobicContact CE1-CG2 3.98Å; F65-V96 HydrophobicContact CE2-CG2 4.4Å; F65-V96 HydrophobicContact CG-CG2 4.07Å; F65-V96 HydrophobicContact CZ-CG1 4.22Å; F65-V96 HydrophobicContact CZ-CG2 4.24Å; F65-H155 PolarHBondContact O-ND1 2.78Å; F65-L158 HydrophobicContact CD1-CB 4.3Å; F65-L158 HydrophobicContact CD1-CD2 4.04Å; F65-L158 HydrophobicContact CD1-CG 3.87Å; F65-L158 HydrophobicContact CE1-CG 4.24Å; F65-K159 HydrophobicContact CD1-CB 3.98Å; F65-K159 VanDerWaalsContact CE1-CA 3.5Å; F65-K159 HydrophobicContact CE1-CB 4.11Å; F65-K159 HydrophobicContact CE1-CG 4.43Å; F65-K159 HydrophobicContact CG-CB 4.37Å; F65-K159 HydrophobicContact CZ-CG 4.42Å; F65-H162 HydrophobicContact CE1-CB 3.85Å; F65-H162 HydrophobicContact CZ-CB 4.1Å
66	K	96.6	Very high	91	Very high	157 Å²	157	83.7 Å²	83.7	68%	0.683	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-11.3	175.2	-60.5	177.7	-175.5	172	0	112.4	D63 D64	D63-K66 CarbonylContact O-C 3.59Å; D63-K66 PolarHBondContact O-N 3.15Å; D64-K66 PolarHBondContact O-N 3.47Å
67	A	97.5	Very high	89.5	Confident	38 Å²	38	86.6 Å²	86.6	31%	0.314	44%	0.438	S	S	.	.			trans	-62.9	154.8	-179.1	0	0	0	0	0	111.7	D63 D64 C93	D63-A67 PolarHBondContact O-N 2.94Å; D64-A67 PolarHBondContact O-N 3.28Å; A67-C93 WeakPolarHBondContact O-CA 3.38Å; A67-C93 PolarHBondContact O-N 2.86Å
68	Y	97.9	Very high	87.8	Confident	141 Å²	141	91 Å²	91	55%	0.553	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.5	152.7	171.7	63.3	-91	0	0	0	110.3	K70 K90 E91	Y68-K70 HydrophobicContact CD2-CB 4.22Å; Y68-K70 HydrophobicContact CE2-CB 4.32Å; Y68-K90 VanDerWaalsContact CB-CE 3.4Å; Y68-K90 HydrophobicContact CD2-CD 4.32Å; Y68-K90 HydrophobicContact CD2-CG 4.42Å; Y68-K90 VanDerWaalsContact CG-CE 3.42Å; Y68-E91 CarbonylContact C-O 3.58Å; Y68-E91 WeakPolarHBondContact CA-O 3.44Å; Y68-E91 VanDerWaalsContact CB-O 3.28Å; Y68-E91 WeakPolarHBondContact CB-O 3.45Å
69	S	97.3	Very high	86.3	Confident	51 Å²	51	84.8 Å²	84.8	36%	0.357	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.8	166.8	-178.2	0	0	0	0	108.8	K90 E91	S69-K90 CarbonylContact O-C 3.33Å; S69-K90 VanDerWaalsContact O-CA 3.22Å; S69-K90 WeakPolarHBondContact O-CA 3.37Å; S69-E91 PolarHBondContact N-O 3.12Å; S69-E91 PolarHBondContact O-N 3.23Å
70	K	96.9	Very high	84.8	Confident	104 Å²	104	84.9 Å²	84.9	45%	0.452	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	125.4	179.3	-176.8	-177.2	178.5	-175.2	0	110.3	Y68 F89 K90	Y68-K70 HydrophobicContact CD2-CB 4.22Å; Y68-K70 HydrophobicContact CE2-CB 4.32Å; K70-F89 CarbonylContact C-O 3.49Å; K70-F89 WeakPolarHBondContact CA-O 3.32Å; K70-K90 HydrophobicContact CB-CB 4.42Å; K70-K90 HydrophobicContact CB-CG 4.4Å; K70-K90 HydrophobicContact CG-CB 4.33Å
71	I	94.7	Very high	83.1	Confident	34 Å²	34	92.1 Å²	92.1	17%	0.174	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.9	175.1	-55.4	119.5	0	0	0	109	W42 H46 V73 K88 F89	W42-I71 HydrophobicContact CH2-CG2 3.87Å; W42-I71 HydrophobicContact CZ3-CG2 4.35Å; H46-I71 WeakPolarHBondContact CD2-CD1 3.32Å; H46-I71 WeakPolarHBondContact NE2-CD1 3.28Å; I71-V73 HydrophobicContact CG2-CG2 4.11Å; I71-K88 CarbonylContact O-C 3.57Å; I71-K88 VanDerWaalsContact O-CA 3.29Å; I71-K88 WeakPolarHBondContact O-CA 3.38Å; I71-F89 HydrophobicContact CD1-CD1 4.27Å; I71-F89 PolarHBondContact N-O 2.66Å; I71-F89 PolarHBondContact O-N 3.48Å
72	K	93.4	Very high	81.7	Confident	119 Å²	119	88.9 Å²	88.9	52%	0.517	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.2	171	-177.4	179.7	-175	-117	0	107.4	D74 K88	K72-D74 VanDerWaalsContact CE-OD2 3.3Å; K72-D74 WeakPolarHBondContact CE-OD2 3.08Å; K72-D74 VanDerWaalsContact NZ-CG 3.27Å; K72-D74 IonicContact NZ-OD1 3.08Å; K72-D74 PolarHBondContact NZ-OD1 2.84Å; K72-D74 VanDerWaalsContact NZ-OD1 3.08Å; K72-D74 IonicContact NZ-OD2 2.68Å; K72-D74 PolarHBondContact NZ-OD2 3.19Å; K72-K88 HydrophobicContact CB-CG 4.21Å; K72-K88 HydrophobicContact CG-CG 3.98Å
73	V	88.6	Confident	80.8	Confident	19 Å²	19	86.1 Å²	86.1	12%	0.115	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.4	177.8	-179.8	0	0	0	0	108.1	W42 I71 N75 H86 F87	W42-V73 HydrophobicContact CH2-CG2 3.44Å; W42-V73 VanDerWaalsContact CH2-CG2 3.44Å; W42-V73 HydrophobicContact CZ2-CG2 3.86Å; W42-V73 HydrophobicContact CZ3-CG2 3.97Å; I71-V73 HydrophobicContact CG2-CG2 4.11Å; V73-N75 WeakPolarHBondContact CG1-OD1 3.48Å; V73-H86 WeakPolarHBondContact O-CA 3.48Å; V73-F87 HydrophobicContact CB-CD1 4.09Å; V73-F87 HydrophobicContact CB-CD2 4.35Å; V73-F87 HydrophobicContact CB-CE1 3.62Å; V73-F87 HydrophobicContact CB-CE2 3.92Å; V73-F87 HydrophobicContact CB-CG 4.44Å; V73-F87 HydrophobicContact CB-CZ 3.54Å; V73-F87 HydrophobicContact CG1-CD1 4.41Å; V73-F87 HydrophobicContact CG1-CE1 3.67Å; V73-F87 HydrophobicContact CG1-CZ 3.84Å; V73-F87 HydrophobicContact CG2-CD2 4.42Å; V73-F87 HydrophobicContact CG2-CE1 4.14Å; V73-F87 HydrophobicContact CG2-CE2 3.66Å; V73-F87 HydrophobicContact CG2-CZ 3.5Å; V73-F87 VanDerWaalsContact CG2-CZ 3.5Å; V73-F87 PolarHBondContact N-O 3.05Å; V73-F87 PolarHBondContact O-N 2.99Å; V73-F87 VanDerWaalsContact O-N 3.14Å
74	D	83.9	Confident	80.2	Confident	68 Å²	68	81.2 Å²	81.2	36%	0.364	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	92.3	175.8	-65.6	-67.4	0	0	0	108.4	K72 H86	K72-D74 VanDerWaalsContact CE-OD2 3.3Å; K72-D74 WeakPolarHBondContact CE-OD2 3.08Å; K72-D74 VanDerWaalsContact NZ-CG 3.27Å; K72-D74 IonicContact NZ-OD1 3.08Å; K72-D74 PolarHBondContact NZ-OD1 2.84Å; K72-D74 VanDerWaalsContact NZ-OD1 3.08Å; K72-D74 IonicContact NZ-OD2 2.68Å; K72-D74 PolarHBondContact NZ-OD2 3.19Å; D74-H86 IonicContact OD1-CE1 3.79Å; D74-H86 IonicContact OD1-CG 3.89Å; D74-H86 IonicContact OD1-ND1 2.89Å; D74-H86 PolarHBondContact OD1-ND1 2.71Å
75	N	76	Confident	79.5	Confident	41 Å²	41	81.5 Å²	81.5	22%	0.219	40%	0.395	C	S	.	.			trans	-90.8	109.6	-178	-74.6	-23	0	0	0	110.8	V73 S85	V73-N75 WeakPolarHBondContact CG1-OD1 3.48Å; N75-S85 PolarHBondContact N-O 2.83Å
76	H	58.5	Low	79	Confident	157 Å²	157	84.6 Å²	84.6	73%	0.727	41%	0.409	S	S	*	.	S	Bend	trans	-88.3	109.5	167.6	-73.4	-82.7	0	0	0	110.1	F78	H76-F78 PolarHBondContact O-N 3.27Å; H76-F78 VanDerWaalsContact O-N 3.15Å
77	L	54.7	Low	78.8	Confident	156 Å²	156	77.4 Å²	77.4	82%	0.817	38%	0.378	S	S	*	.	S	Bend	trans	63.5	13.8	172.3	-58.9	165.6	0	0	0	116.3
78	F	51	Low	78.8	Confident	141 Å²	141	79 Å²	79	62%	0.618	38%	0.378	S	S	*	.	S	Bend	trans	-113.2	128	176.4	-171.8	-103.5	0	0	0	110.5	H76 K80	H76-F78 PolarHBondContact O-N 3.27Å; H76-F78 VanDerWaalsContact O-N 3.15Å; F78-K80 PolarHBondContact O-N 3.01Å
79	N	55.4	Low	78.8	Confident	45 Å²	45	72.3 Å²	72.3	24%	0.241	35%	0.352	C	S	.	.	S	Bend	trans	61.4	29.4	170.6	-153.6	28.1	0	0	0	117	E81 N82 M83	N79-E81 PolarHBondContact O-N 2.95Å; N79-N82 PolarHBondContact O-N 2.84Å; N79-N82 VanDerWaalsContact O-N 3.14Å; N79-N82 WeakPolarHBondContact OD1-CB 3.48Å; N79-N82 PolarHBondContact OD1-ND2 3.45Å; N79-M83 PolarHBondContact O-N 2.92Å
80	K	59.4	Low	78.8	Confident	134 Å²	134	71.3 Å²	71.3	58%	0.583	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-28	-178.3	-77.8	-166.2	171.4	-171.7	0	115	F78 N82	F78-K80 PolarHBondContact O-N 3.01Å; K80-N82 VanDerWaalsContact C-N 3.31Å
81	E	61.2	Low	78.9	Confident	186 Å²	186	66.5 Å²	66.5	87%	0.869	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-18.7	-178.8	-65.7	-178.6	175.1	0	0	113.1	N79	N79-E81 PolarHBondContact O-N 2.95Å
82	N	64.8	Low	79.1	Confident	34 Å²	34	65.7 Å²	65.7	18%	0.182	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-23.1	-169.1	-52.7	-79.8	0	0	0	113.8	L29 R31 N79 K80	L29-N82 HydrophobicContact CD2-CB 3.67Å; L29-N82 VanDerWaalsContact CD2-ND2 3.27Å; L29-N82 WeakPolarHBondContact CD2-ND2 3.01Å; L29-N82 WeakPolarHBondContact CD2-OD1 3.03Å; L29-N82 HydrophobicContact CG-CB 4.26Å; R31-N82 PolarHBondContact NE-OD1 3.17Å; N79-N82 PolarHBondContact O-N 2.84Å; N79-N82 VanDerWaalsContact O-N 3.14Å; N79-N82 WeakPolarHBondContact OD1-CB 3.48Å; N79-N82 PolarHBondContact OD1-ND2 3.45Å; K80-N82 VanDerWaalsContact C-N 3.31Å
83	M	77.4	Confident	79.3	Confident	15 Å²	15	60 Å²	60	7%	0.074	29%	0.29	C	S	.	.	S	Bend	trans	-140.5	147	-178.9	-76.1	-68.6	-71.3	0	0	110.6	S38 V39 W42 N79 F87	S38-M83 VanDerWaalsContact CB-SD 3.54Å; V39-M83 HydrophobicContact CG2-CE 3.92Å; W42-M83 HydrophobicContact CB-CE 3.67Å; W42-M83 HydrophobicContact CB-SD 4.39Å; W42-M83 HydrophobicContact CD2-CE 4.45Å; W42-M83 HydrophobicContact CG-CE 3.85Å; N79-M83 PolarHBondContact O-N 2.92Å; M83-F87 HydrophobicContact CE-CD1 4.28Å; M83-F87 HydrophobicContact CE-CE1 3.48Å; M83-F87 VanDerWaalsContact CE-CE1 3.48Å; M83-F87 HydrophobicContact CE-CE2 4.13Å; M83-F87 HydrophobicContact CE-CZ 3.37Å
84	P	82.5	Confident	79.8	Confident	17 Å²	17	59.8 Å²	59.8	11%	0.11	29%	0.289	C	S	.	.			trans	-52.2	142.7	170.1	-26.2	34.9	0	0	0	111.5	P35 V39 H86 F87 V185	P35-P84 HydrophobicContact CB-CG 3.83Å; V39-P84 HydrophobicContact CG2-CG 3.82Å; P84-H86 VanDerWaalsContact C-N 3.26Å; P84-H86 PolarHBondContact O-N 2.61Å; P84-F87 HydrophobicContact CB-CB 4.44Å; P84-F87 HydrophobicContact CB-CD1 4.17Å; P84-F87 WeakPolarHBondContact O-CD1 3.18Å; P84-V185 HydrophobicContact CB-CG1 4.12Å; P84-V185 HydrophobicContact CG-CG1 3.81Å
85	S	82.9	Confident	80.5	Confident	32 Å²	32	58.3 Å²	58.3	22%	0.224	28%	0.281	C	S	.	.	S	Bend	trans	-67.8	-30.8	178.5	-62.4	0	0	0	0	111.7	N75	N75-S85 PolarHBondContact N-O 2.83Å
86	H	88.4	Confident	81.5	Confident	87 Å²	87	56.4 Å²	56.4	40%	0.403	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	118.5	-179.6	-57.9	-74.5	0	0	0	109.7	V73 D74 P84	V73-H86 WeakPolarHBondContact O-CA 3.48Å; D74-H86 IonicContact OD1-CE1 3.79Å; D74-H86 IonicContact OD1-CG 3.89Å; D74-H86 IonicContact OD1-ND1 2.89Å; D74-H86 PolarHBondContact OD1-ND1 2.71Å; P84-H86 VanDerWaalsContact C-N 3.26Å; P84-H86 PolarHBondContact O-N 2.61Å
87	F	93.3	Very high	83.4	Confident	7 Å²	7	48.9 Å²	48.9	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	162.7	173.3	65.2	-90.2	0	0	0	111.6	V39 W42 V73 M83 P84 T184 V185	V39-F87 HydrophobicContact CB-CD2 4.28Å; V39-F87 HydrophobicContact CG1-CB 4.26Å; V39-F87 HydrophobicContact CG1-CD2 3.41Å; V39-F87 VanDerWaalsContact CG1-CD2 3.41Å; V39-F87 HydrophobicContact CG1-CE2 3.93Å; V39-F87 HydrophobicContact CG1-CG 4.01Å; V39-F87 HydrophobicContact CG2-CB 3.95Å; V39-F87 HydrophobicContact CG2-CD1 4.05Å; V39-F87 HydrophobicContact CG2-CD2 3.86Å; V39-F87 HydrophobicContact CG2-CE2 4.35Å; V39-F87 HydrophobicContact CG2-CG 3.69Å; W42-F87 HydrophobicContact CD2-CE2 4.08Å; W42-F87 AromaticContact CD2-CZ 3.94Å; W42-F87 HydrophobicContact CD2-CZ 3.94Å; W42-F87 AromaticContact CE3-CE2 3.48Å; W42-F87 HydrophobicContact CE3-CE2 3.48Å; W42-F87 VanDerWaalsContact CE3-CE2 3.48Å; W42-F87 AromaticContact CE3-CZ 3.82Å; W42-F87 HydrophobicContact CE3-CZ 3.82Å; W42-F87 HydrophobicContact CH2-CE2 4.34Å; W42-F87 HydrophobicContact CH2-CZ 4.47Å; W42-F87 AromaticContact CZ3-CE2 3.64Å; W42-F87 HydrophobicContact CZ3-CE2 3.64Å; W42-F87 HydrophobicContact CZ3-CZ 4.11Å; V73-F87 HydrophobicContact CB-CD1 4.09Å; V73-F87 HydrophobicContact CB-CD2 4.35Å; V73-F87 HydrophobicContact CB-CE1 3.62Å; V73-F87 HydrophobicContact CB-CE2 3.92Å; V73-F87 HydrophobicContact CB-CG 4.44Å; V73-F87 HydrophobicContact CB-CZ 3.54Å; V73-F87 HydrophobicContact CG1-CD1 4.41Å; V73-F87 HydrophobicContact CG1-CE1 3.67Å; V73-F87 HydrophobicContact CG1-CZ 3.84Å; V73-F87 HydrophobicContact CG2-CD2 4.42Å; V73-F87 HydrophobicContact CG2-CE1 4.14Å; V73-F87 HydrophobicContact CG2-CE2 3.66Å; V73-F87 HydrophobicContact CG2-CZ 3.5Å; V73-F87 VanDerWaalsContact CG2-CZ 3.5Å; V73-F87 PolarHBondContact N-O 3.05Å; V73-F87 PolarHBondContact O-N 2.99Å; V73-F87 VanDerWaalsContact O-N 3.14Å; M83-F87 HydrophobicContact CE-CD1 4.28Å; M83-F87 HydrophobicContact CE-CE1 3.48Å; M83-F87 VanDerWaalsContact CE-CE1 3.48Å; M83-F87 HydrophobicContact CE-CE2 4.13Å; M83-F87 HydrophobicContact CE-CZ 3.37Å; P84-F87 HydrophobicContact CB-CB 4.44Å; P84-F87 HydrophobicContact CB-CD1 4.17Å; P84-F87 WeakPolarHBondContact O-CD1 3.18Å; F87-T184 CarbonylContact C-O 3.6Å; F87-T184 WeakPolarHBondContact CA-O 3.36Å; F87-T184 WeakPolarHBondContact CB-O 3.17Å; F87-V185 HydrophobicContact CB-CG2 4.28Å
88	K	96.1	Very high	85.5	Confident	70 Å²	70	42.4 Å²	42.4	30%	0.304	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.3	171.8	-56.1	165.2	-173.7	160.1	0	109	I71 K72 L183 T184	I71-K88 CarbonylContact O-C 3.57Å; I71-K88 VanDerWaalsContact O-CA 3.29Å; I71-K88 WeakPolarHBondContact O-CA 3.38Å; K72-K88 HydrophobicContact CB-CG 4.21Å; K72-K88 HydrophobicContact CG-CG 3.98Å; K88-L183 WeakPolarHBondContact O-CA 3.41Å; K88-T184 HydrophobicContact CD-CG2 4.41Å; K88-T184 PolarHBondContact N-O 2.68Å; K88-T184 PolarHBondContact O-N 2.75Å
89	F	97.8	Very high	87.8	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.7	170.3	-179	-95	0	0	0	108.1	W42 G43 K70 I71 E91 Y181 L183	W42-F89 HydrophobicContact CZ3-CB 4.41Å; G43-F89 WeakPolarHBondContact O-CE1 3.45Å; K70-F89 CarbonylContact C-O 3.49Å; K70-F89 WeakPolarHBondContact CA-O 3.32Å; I71-F89 HydrophobicContact CD1-CD1 4.27Å; I71-F89 PolarHBondContact N-O 2.66Å; I71-F89 PolarHBondContact O-N 3.48Å; F89-E91 HydrophobicContact CE1-CB 4.08Å; F89-Y181 HydrophobicContact CE1-CD1 4.16Å; F89-Y181 AromaticContact CE2-CD1 3.98Å; F89-Y181 HydrophobicContact CE2-CD1 3.98Å; F89-Y181 HydrophobicContact CE2-CG 4.17Å; F89-Y181 AromaticContact CZ-CD1 3.35Å; F89-Y181 HydrophobicContact CZ-CD1 3.35Å; F89-Y181 AromaticContact CZ-CE1 3.84Å; F89-Y181 HydrophobicContact CZ-CE1 3.84Å; F89-Y181 AromaticContact CZ-CG 4Å; F89-Y181 HydrophobicContact CZ-CG 4Å; F89-L183 HydrophobicContact CD2-CD2 3.37Å; F89-L183 HydrophobicContact CE2-CD2 3.7Å
90	K	98.5	Very high	89.8	Confident	30 Å²	30	34.7 Å²	34.7	13%	0.13	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.8	173.2	178.2	-178.8	177.6	-179.1	0	109.1	Y68 S69 K70 Y92 Y181 R182	Y68-K90 VanDerWaalsContact CB-CE 3.4Å; Y68-K90 HydrophobicContact CD2-CD 4.32Å; Y68-K90 HydrophobicContact CD2-CG 4.42Å; Y68-K90 VanDerWaalsContact CG-CE 3.42Å; S69-K90 CarbonylContact O-C 3.33Å; S69-K90 VanDerWaalsContact O-CA 3.22Å; S69-K90 WeakPolarHBondContact O-CA 3.37Å; K70-K90 HydrophobicContact CB-CB 4.42Å; K70-K90 HydrophobicContact CB-CG 4.4Å; K70-K90 HydrophobicContact CG-CB 4.33Å; K90-Y92 HydrophobicContact CD-CE1 4.05Å; K90-Y92 HydrophobicContact CD-CE2 4.23Å; K90-Y92 HydrophobicContact CG-CE2 4.37Å; K90-Y92 VanDerWaalsContact NZ-CE1 3.3Å; K90-Y181 CarbonylContact O-C 3.59Å; K90-Y181 VanDerWaalsContact O-CA 3.24Å; K90-Y181 WeakPolarHBondContact O-CA 3.49Å; K90-R182 HydrophobicContact CB-CB 4.25Å; K90-R182 PolarHBondContact N-O 3.22Å; K90-R182 PolarHBondContact O-N 3.21Å
91	E	98.6	Very high	91.7	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.019	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.2	168.6	-178.9	-178.4	-163.1	0	0	109.5	S47 Y68 S69 F89 P94 Y181	S47-E91 VanDerWaalsContact CB-OE2 3.31Å; S47-E91 WeakPolarHBondContact CB-OE2 3.47Å; S47-E91 PolarHBondContact OG-OE1 3.22Å; S47-E91 PolarHBondContact OG-OE2 3.43Å; Y68-E91 CarbonylContact C-O 3.58Å; Y68-E91 WeakPolarHBondContact CA-O 3.44Å; Y68-E91 VanDerWaalsContact CB-O 3.28Å; Y68-E91 WeakPolarHBondContact CB-O 3.45Å; S69-E91 PolarHBondContact N-O 3.12Å; S69-E91 PolarHBondContact O-N 3.23Å; F89-E91 HydrophobicContact CE1-CB 4.08Å; E91-P94 HydrophobicContact CB-CG 4.42Å; E91-P94 HydrophobicContact CG-CB 4.31Å; E91-P94 HydrophobicContact CG-CG 3.96Å; E91-Y181 HydrophobicContact CB-CD1 4.02Å; E91-Y181 HydrophobicContact CB-CE1 4.23Å; E91-Y181 HydrophobicContact CG-CD1 3.97Å; E91-Y181 HydrophobicContact CG-CE1 3.77Å
92	Y	98.8	Very high	93.4	Very high	17 Å²	17	25.1 Å²	25.1	7%	0.067	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	140	176.2	-64.2	-92.4	0	0	0	110.4	K90 F97 V151 H155 M180 R182	K90-Y92 HydrophobicContact CD-CE1 4.05Å; K90-Y92 HydrophobicContact CD-CE2 4.23Å; K90-Y92 HydrophobicContact CG-CE2 4.37Å; K90-Y92 VanDerWaalsContact NZ-CE1 3.3Å; Y92-F97 WeakPolarHBondContact O-CD2 3.3Å; Y92-F97 VanDerWaalsContact O-CE2 3.3Å; Y92-F97 WeakPolarHBondContact O-CE2 3.45Å; Y92-V151 HydrophobicContact CE1-CG1 4.21Å; Y92-V151 HydrophobicContact CE2-CG1 4.48Å; Y92-H155 AromaticContact CD1-NE2 3.25Å; Y92-H155 WeakPolarHBondContact CD1-NE2 3.31Å; Y92-H155 AromaticContact CE1-NE2 3.9Å; Y92-H155 AromaticContact CG-NE2 3.96Å; Y92-M180 VanDerWaalsContact CB-CE 3.43Å; Y92-M180 HydrophobicContact CD1-CE 4.2Å; Y92-M180 HydrophobicContact CD2-CE 4.06Å; Y92-M180 HydrophobicContact CD2-CG 4.07Å; Y92-M180 WeakPolarHBondContact CD2-O 3.35Å; Y92-M180 HydrophobicContact CG-CE 3.66Å; Y92-M180 PolarHBondContact N-O 3.06Å; Y92-R182 HydrophobicContact CE2-CB 3.73Å
93	C	98.4	Very high	94.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	45.1	53.5	175.8	-50.2	0	0	0	0	115.2	F65 A67 L95 V96 F97 H155 L158	F65-C93 PolarHBondContact O-SG 3.09Å; A67-C93 WeakPolarHBondContact O-CA 3.38Å; A67-C93 PolarHBondContact O-N 2.86Å; C93-L95 VanDerWaalsContact C-N 3.32Å; C93-L95 PolarHBondContact O-N 3.07Å; C93-V96 HydrophobicContact CB-CB 3.91Å; C93-V96 HydrophobicContact CB-CG2 3.87Å; C93-V96 WeakPolarHBondContact O-CB 3.48Å; C93-V96 PolarHBondContact O-N 2.66Å; C93-F97 HydrophobicContact CB-CD2 4.12Å; C93-F97 HydrophobicContact CB-CE2 4.06Å; C93-F97 WeakPolarHBondContact O-CD2 3.46Å; C93-F97 PolarHBondContact O-N 3.06Å; C93-F97 VanDerWaalsContact O-N 3.11Å; C93-H155 PolarHBondContact SG-CE1 3.49Å; C93-L158 HydrophobicContact CB-CD2 3.77Å; C93-L158 VanDerWaalsContact SG-CD2 3.51Å
94	P	98.1	Very high	95.9	Very high	13 Å²	13	27.9 Å²	27.9	8%	0.084	13%	0.131	C	C	.	.	H	α-helix	trans	-55.1	-43.4	-169.1	-24.9	33.9	0	0	0	113.8	L51 E91 V96 F97 R98	L51-P94 HydrophobicContact CD1-CB 4.15Å; L51-P94 HydrophobicContact CD2-CB 3.88Å; L51-P94 HydrophobicContact CG-CB 4.48Å; E91-P94 HydrophobicContact CB-CG 4.42Å; E91-P94 HydrophobicContact CG-CB 4.31Å; E91-P94 HydrophobicContact CG-CG 3.96Å; P94-V96 VanDerWaalsContact C-N 3.35Å; P94-V96 PolarHBondContact O-N 3.36Å; P94-F97 PolarHBondContact O-N 2.79Å; P94-R98 WeakPolarHBondContact O-CB 3.48Å; P94-R98 PolarHBondContact O-N 2.88Å
95	L	98.1	Very high	96.6	Very high	38 Å²	38	30.5 Å²	30.5	20%	0.199	16%	0.161	C	C	.	.	H	α-helix	trans	-67.6	-33.9	179.8	-64.9	-179.4	0	0	0	112.9	L51 V54 L60 C93 N99	L51-L95 HydrophobicContact CD2-CD2 4.27Å; V54-L95 HydrophobicContact CG1-CD2 4.11Å; L60-L95 HydrophobicContact CD2-CB 4.07Å; C93-L95 VanDerWaalsContact C-N 3.32Å; C93-L95 PolarHBondContact O-N 3.07Å; L95-N99 PolarHBondContact O-N 3.04Å; L95-N99 VanDerWaalsContact O-N 3.07Å
96	V	98.5	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.4	-47.6	178.1	-175.3	0	0	0	0	109.9	L60 D64 F65 C93 P94 N99 L100 L158	L60-V96 HydrophobicContact CD1-CB 4.35Å; L60-V96 HydrophobicContact CD1-CG1 4.26Å; L60-V96 HydrophobicContact CD1-CG2 4.22Å; D64-V96 HydrophobicContact CB-CG2 4.01Å; D64-V96 WeakPolarHBondContact O-CG2 3.44Å; F65-V96 HydrophobicContact CD1-CG1 4.05Å; F65-V96 HydrophobicContact CD1-CG2 3.9Å; F65-V96 HydrophobicContact CD2-CG2 4.32Å; F65-V96 HydrophobicContact CE1-CB 4.47Å; F65-V96 HydrophobicContact CE1-CG1 3.6Å; F65-V96 HydrophobicContact CE1-CG2 3.98Å; F65-V96 HydrophobicContact CE2-CG2 4.4Å; F65-V96 HydrophobicContact CG-CG2 4.07Å; F65-V96 HydrophobicContact CZ-CG1 4.22Å; F65-V96 HydrophobicContact CZ-CG2 4.24Å; C93-V96 HydrophobicContact CB-CB 3.91Å; C93-V96 HydrophobicContact CB-CG2 3.87Å; C93-V96 WeakPolarHBondContact O-CB 3.48Å; C93-V96 PolarHBondContact O-N 2.66Å; P94-V96 VanDerWaalsContact C-N 3.35Å; P94-V96 PolarHBondContact O-N 3.36Å; V96-N99 PolarHBondContact O-N 2.83Å; V96-L100 HydrophobicContact CG1-CD1 4.31Å; V96-L100 WeakPolarHBondContact O-CG 3.46Å; V96-L100 PolarHBondContact O-N 3.39Å; V96-L158 HydrophobicContact CB-CD2 4.45Å; V96-L158 HydrophobicContact CG1-CD1 4.17Å; V96-L158 HydrophobicContact CG1-CD2 4.06Å; V96-L158 HydrophobicContact CG1-CG 4.03Å
97	F	98.6	Very high	97.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-70	-30.7	178.6	-73.2	-69.1	0	0	0	113.2	Y92 C93 P94 L100 R101 L158 F177 M180	Y92-F97 WeakPolarHBondContact O-CD2 3.3Å; Y92-F97 VanDerWaalsContact O-CE2 3.3Å; Y92-F97 WeakPolarHBondContact O-CE2 3.45Å; C93-F97 HydrophobicContact CB-CD2 4.12Å; C93-F97 HydrophobicContact CB-CE2 4.06Å; C93-F97 WeakPolarHBondContact O-CD2 3.46Å; C93-F97 PolarHBondContact O-N 3.06Å; C93-F97 VanDerWaalsContact O-N 3.11Å; P94-F97 PolarHBondContact O-N 2.79Å; F97-L100 HydrophobicContact CD1-CD1 3.9Å; F97-L100 HydrophobicContact CE1-CD1 4.19Å; F97-L100 PolarHBondContact O-N 2.89Å; F97-R101 WeakPolarHBondContact O-CG 3.18Å; F97-R101 PolarHBondContact O-N 2.87Å; F97-R101 PolarHBondContact O-NE 3.47Å; F97-L158 HydrophobicContact CE1-CD1 4.34Å; F97-L158 HydrophobicContact CZ-CD1 4.15Å; F97-F177 HydrophobicContact CE1-CB 3.89Å; F97-M180 HydrophobicContact CE2-CB 3.72Å; F97-M180 HydrophobicContact CZ-CB 3.69Å
98	R	98.1	Very high	97.9	Very high	19 Å²	19	30.2 Å²	30.2	7%	0.072	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-47.6	167.9	-174.4	172.7	67	169.8	5.3	111.7	L51 V54 Q55 P94 L100 R101 E102	L51-R98 PolarHBondContact O-NH1 3.45Å; V54-R98 PolarHBondContact O-NH1 2.71Å; Q55-R98 PolarHBondContact O-NH2 3.26Å; P94-R98 WeakPolarHBondContact O-CB 3.48Å; P94-R98 PolarHBondContact O-N 2.88Å; R98-L100 VanDerWaalsContact C-N 3.35Å; R98-L100 PolarHBondContact O-N 2.84Å; R98-R101 PolarHBondContact O-N 2.94Å; R98-E102 PolarHBondContact O-N 3.08Å; R98-E102 VanDerWaalsContact O-N 3.12Å
99	N	98.1	Very high	97.9	Very high	25 Å²	25	30.5 Å²	30.5	13%	0.134	16%	0.162	C	C	.	.	H	α-helix	trans	-68.6	-32.3	177.7	-172.8	-114.5	0	0	0	113	L60 L95 V96 E102 R103 H162	L60-N99 HydrophobicContact CD1-CB 4.13Å; L95-N99 PolarHBondContact O-N 3.04Å; L95-N99 VanDerWaalsContact O-N 3.07Å; V96-N99 PolarHBondContact O-N 2.83Å; N99-E102 PolarHBondContact ND2-OE2 2.89Å; N99-E102 VanDerWaalsContact ND2-OE2 3.09Å; N99-R103 VanDerWaalsContact O-CG 3.3Å; N99-R103 WeakPolarHBondContact O-CG 3.39Å; N99-R103 PolarHBondContact O-N 3.14Å; N99-R103 PolarHBondContact OD1-NE 2.94Å; N99-H162 PolarHBondContact OD1-NE2 3.16Å
100	L	98.6	Very high	97.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-45	172.2	-74.7	170.7	0	0	0	111.5	V96 F97 R98 E102 R103 F104 L158 Y161 I165	V96-L100 HydrophobicContact CG1-CD1 4.31Å; V96-L100 WeakPolarHBondContact O-CG 3.46Å; V96-L100 PolarHBondContact O-N 3.39Å; F97-L100 HydrophobicContact CD1-CD1 3.9Å; F97-L100 HydrophobicContact CE1-CD1 4.19Å; F97-L100 PolarHBondContact O-N 2.89Å; R98-L100 VanDerWaalsContact C-N 3.35Å; R98-L100 PolarHBondContact O-N 2.84Å; L100-E102 VanDerWaalsContact C-N 3.35Å; L100-E102 PolarHBondContact O-N 2.84Å; L100-R103 PolarHBondContact O-N 3.38Å; L100-F104 HydrophobicContact CB-CD2 4.41Å; L100-F104 HydrophobicContact CB-CE2 4.11Å; L100-F104 HydrophobicContact CD2-CE2 4.24Å; L100-F104 HydrophobicContact CD2-CZ 4.47Å; L100-F104 WeakPolarHBondContact O-CD2 3.32Å; L100-F104 WeakPolarHBondContact O-CG 3.16Å; L100-F104 PolarHBondContact O-N 2.67Å; L100-L158 HydrophobicContact CD1-CD1 4.3Å; L100-Y161 HydrophobicContact CD1-CD1 4.27Å; L100-Y161 HydrophobicContact CD1-CE1 3.94Å; L100-Y161 HydrophobicContact CD2-CD1 4.24Å; L100-Y161 HydrophobicContact CD2-CE1 3.79Å; L100-I165 HydrophobicContact CD2-CB 4.18Å; L100-I165 HydrophobicContact CD2-CG1 4.11Å; L100-I165 HydrophobicContact CD2-CG2 4.07Å
101	R	98.4	Very high	97.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56.8	-47.4	175.5	-76.4	-178.3	-69.7	146	6.7	111.7	F97 R98 R103 F104 G105 I106 D108 L178	F97-R101 WeakPolarHBondContact O-CG 3.18Å; F97-R101 PolarHBondContact O-N 2.87Å; F97-R101 PolarHBondContact O-NE 3.47Å; R98-R101 PolarHBondContact O-N 2.94Å; R101-R103 PolarHBondContact O-N 3.46Å; R101-F104 CarbonylContact O-C 3.57Å; R101-F104 PolarHBondContact O-N 2.97Å; R101-F104 VanDerWaalsContact O-N 3.11Å; R101-G105 PolarHBondContact O-N 2.88Å; R101-I106 CarbonylContact C-O 3.57Å; R101-I106 HydrophobicContact CB-CB 4.18Å; R101-I106 HydrophobicContact CB-CG2 4.35Å; R101-I106 HydrophobicContact CG-CG2 4.38Å; R101-I106 WeakPolarHBondContact O-CB 3.46Å; R101-I106 PolarHBondContact O-N 3.06Å; R101-D108 IonicContact CZ-OD1 3.09Å; R101-D108 IonicContact CZ-OD2 2.86Å; R101-D108 IonicContact NE-OD1 2.66Å; R101-D108 IonicContact NH1-OD1 2.69Å; R101-D108 PolarHBondContact NH1-OD1 2.8Å; R101-D108 IonicContact NH1-OD2 3.25Å; R101-D108 PolarHBondContact NH1-OD2 2.61Å; R101-D108 VanDerWaalsContact NH2-CG 3.27Å; R101-D108 IonicContact NH2-OD1 2.71Å; R101-D108 PolarHBondContact NH2-OD1 2.74Å; R101-D108 VanDerWaalsContact NH2-OD1 3.14Å; R101-D108 IonicContact NH2-OD2 2.95Å; R101-D108 PolarHBondContact NH2-OD2 3.02Å; R101-L178 HydrophobicContact CG-CB 4.04Å; R101-L178 HydrophobicContact CG-CD2 4.04Å
102	E	96.8	Very high	97.7	Very high	119 Å²	119	33 Å²	33	56%	0.556	18%	0.178	S	C	*	.	H	α-helix	trans	-56.1	-47.5	174.2	-178.2	-174.8	-167	0	0	112.3	R98 N99 L100 F104 G105	R98-E102 PolarHBondContact O-N 3.08Å; R98-E102 VanDerWaalsContact O-N 3.12Å; N99-E102 PolarHBondContact ND2-OE2 2.89Å; N99-E102 VanDerWaalsContact ND2-OE2 3.09Å; L100-E102 VanDerWaalsContact C-N 3.35Å; L100-E102 PolarHBondContact O-N 2.84Å; E102-F104 PolarHBondContact O-N 3.47Å; E102-G105 PolarHBondContact O-N 3.42Å
103	R	97.3	Very high	97.6	Very high	92 Å²	92	35.6 Å²	35.6	35%	0.347	19%	0.192	S	C	.	.	H	α-helix	trans	-65.5	-23.3	178.7	-72.9	177.7	180	-75.8	-3.1	114	N99 L100 R101 G105 I165	N99-R103 VanDerWaalsContact O-CG 3.3Å; N99-R103 WeakPolarHBondContact O-CG 3.39Å; N99-R103 PolarHBondContact O-N 3.14Å; N99-R103 PolarHBondContact OD1-NE 2.94Å; L100-R103 PolarHBondContact O-N 3.38Å; R101-R103 PolarHBondContact O-N 3.46Å; R103-G105 VanDerWaalsContact C-N 3.34Å; R103-I165 HydrophobicContact CB-CG2 4.04Å
104	F	98.1	Very high	97.4	Very high	15 Å²	15	35.9 Å²	35.9	7%	0.066	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	7.7	173.6	-63.3	-46.2	0	0	0	113.3	L100 R101 E102 I106 Y161 I165 Q176 L178 R196	L100-F104 HydrophobicContact CB-CD2 4.41Å; L100-F104 HydrophobicContact CB-CE2 4.11Å; L100-F104 HydrophobicContact CD2-CE2 4.24Å; L100-F104 HydrophobicContact CD2-CZ 4.47Å; L100-F104 WeakPolarHBondContact O-CD2 3.32Å; L100-F104 WeakPolarHBondContact O-CG 3.16Å; L100-F104 PolarHBondContact O-N 2.67Å; R101-F104 CarbonylContact O-C 3.57Å; R101-F104 PolarHBondContact O-N 2.97Å; R101-F104 VanDerWaalsContact O-N 3.11Å; E102-F104 PolarHBondContact O-N 3.47Å; F104-I106 VanDerWaalsContact C-N 3.31Å; F104-I106 HydrophobicContact CB-CD1 3.97Å; F104-I106 HydrophobicContact CB-CG1 4.34Å; F104-I106 PolarHBondContact O-N 3.13Å; F104-Y161 WeakPolarHBondContact CZ-OH 3.34Å; F104-I165 HydrophobicContact CE1-CD1 3.87Å; F104-I165 HydrophobicContact CE1-CG1 4.29Å; F104-I165 HydrophobicContact CE1-CG2 3.75Å; F104-I165 HydrophobicContact CZ-CD1 3.73Å; F104-I165 HydrophobicContact CZ-CG1 3.85Å; F104-I165 HydrophobicContact CZ-CG2 3.82Å; F104-Q176 HydrophobicContact CD1-CB 4.22Å; F104-Q176 HydrophobicContact CD1-CG 3.64Å; F104-Q176 HydrophobicContact CD2-CB 3.78Å; F104-Q176 HydrophobicContact CD2-CG 4.14Å; F104-Q176 HydrophobicContact CE1-CB 4.12Å; F104-Q176 HydrophobicContact CE1-CG 3.51Å; F104-Q176 HydrophobicContact CE2-CB 3.66Å; F104-Q176 HydrophobicContact CE2-CG 4.02Å; F104-Q176 HydrophobicContact CG-CB 4.07Å; F104-Q176 HydrophobicContact CG-CG 3.97Å; F104-Q176 HydrophobicContact CZ-CB 3.84Å; F104-Q176 HydrophobicContact CZ-CG 3.71Å; F104-L178 HydrophobicContact CD2-CD2 3.74Å; F104-L178 HydrophobicContact CE2-CD2 4.39Å; F104-R196 PolarHBondContact O-NH2 2.95Å
105	G	96.9	Very high	97.3	Very high	71 Å²	71	35.3 Å²	35.3	73%	0.732	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	32.3	-179.8	0	0	0	0	0	113	R101 E102 R103	R101-G105 PolarHBondContact O-N 2.88Å; E102-G105 PolarHBondContact O-N 3.42Å; R103-G105 VanDerWaalsContact C-N 3.34Å
106	I	97.5	Very high	97.2	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.051	18%	0.182	C	C	.	.			trans	-107.8	118.5	179.8	-64.7	164.3	0	0	0	108.7	R101 F104 F111 Y141 L178	R101-I106 CarbonylContact C-O 3.57Å; R101-I106 HydrophobicContact CB-CB 4.18Å; R101-I106 HydrophobicContact CB-CG2 4.35Å; R101-I106 HydrophobicContact CG-CG2 4.38Å; R101-I106 WeakPolarHBondContact O-CB 3.46Å; R101-I106 PolarHBondContact O-N 3.06Å; F104-I106 VanDerWaalsContact C-N 3.31Å; F104-I106 HydrophobicContact CB-CD1 3.97Å; F104-I106 HydrophobicContact CB-CG1 4.34Å; F104-I106 PolarHBondContact O-N 3.13Å; I106-F111 HydrophobicContact CG2-CB 3.84Å; I106-F111 HydrophobicContact CG2-CD2 4.35Å; I106-F111 HydrophobicContact CG2-CG 4.49Å; I106-Y141 HydrophobicContact CD1-CE1 4.03Å; I106-Y141 WeakPolarHBondContact CG2-OH 3.42Å; I106-L178 HydrophobicContact CD1-CD1 3.68Å; I106-L178 HydrophobicContact CD1-CD2 3.44Å; I106-L178 VanDerWaalsContact CD1-CD2 3.44Å; I106-L178 HydrophobicContact CD1-CG 4.2Å
107	D	97.1	Very high	96.9	Very high	84 Å²	84	42.3 Å²	42.3	45%	0.449	22%	0.215	S	C	.	.			trans	-72.1	141.8	170.6	177.5	-96.8	0	0	0	111.4	Q109 D110 F111	D107-Q109 VanDerWaalsContact C-N 3.35Å; D107-Q109 PolarHBondContact O-N 2.85Å; D107-Q109 WeakPolarHBondContact OD1-CA 3.38Å; D107-Q109 VanDerWaalsContact OD1-CB 3.24Å; D107-Q109 WeakPolarHBondContact OD1-CB 3.2Å; D107-Q109 PolarHBondContact OD1-N 2.97Å; D107-D110 HydrophobicContact CB-CB 4.14Å; D107-D110 PolarHBondContact O-N 2.81Å; D107-D110 PolarHBondContact OD1-N 3.13Å; D107-F111 WeakPolarHBondContact O-CB 3.5Å; D107-F111 PolarHBondContact O-N 3.16Å
108	D	97.4	Very high	96.5	Very high	27 Å²	27	45.1 Å²	45.1	14%	0.144	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-37.1	-176.3	-92.5	27.7	0	0	0	112.3	I48 R101 S112	I48-D108 HydrophobicContact CG2-CB 4.07Å; I48-D108 WeakPolarHBondContact CG2-O 3.22Å; R101-D108 IonicContact CZ-OD1 3.09Å; R101-D108 IonicContact CZ-OD2 2.86Å; R101-D108 IonicContact NE-OD1 2.66Å; R101-D108 IonicContact NH1-OD1 2.69Å; R101-D108 PolarHBondContact NH1-OD1 2.8Å; R101-D108 IonicContact NH1-OD2 3.25Å; R101-D108 PolarHBondContact NH1-OD2 2.61Å; R101-D108 VanDerWaalsContact NH2-CG 3.27Å; R101-D108 IonicContact NH2-OD1 2.71Å; R101-D108 PolarHBondContact NH2-OD1 2.74Å; R101-D108 VanDerWaalsContact NH2-OD1 3.14Å; R101-D108 IonicContact NH2-OD2 2.95Å; R101-D108 PolarHBondContact NH2-OD2 3.02Å; D108-S112 WeakPolarHBondContact O-CB 3.3Å; D108-S112 PolarHBondContact O-N 3.01Å
109	Q	96.3	Very high	96.1	Very high	76 Å²	76	45.3 Å²	45.3	36%	0.355	24%	0.24	S	C	.	.	H	α-helix	trans	-74.3	-39.7	178.1	-62.2	-61.4	-39.7	0	0	111.2	D107 S112 N113	D107-Q109 VanDerWaalsContact C-N 3.35Å; D107-Q109 PolarHBondContact O-N 2.85Å; D107-Q109 WeakPolarHBondContact OD1-CA 3.38Å; D107-Q109 VanDerWaalsContact OD1-CB 3.24Å; D107-Q109 WeakPolarHBondContact OD1-CB 3.2Å; D107-Q109 PolarHBondContact OD1-N 2.97Å; Q109-S112 PolarHBondContact O-N 3.4Å; Q109-N113 VanDerWaalsContact O-CB 3.31Å; Q109-N113 WeakPolarHBondContact O-CB 3.36Å; Q109-N113 PolarHBondContact O-N 2.84Å; Q109-N113 PolarHBondContact O-ND2 2.87Å; Q109-N113 VanDerWaalsContact O-ND2 3.13Å
110	D	96.2	Very high	95.9	Very high	86 Å²	86	44.4 Å²	44.4	46%	0.46	24%	0.235	S	C	.	.	H	α-helix	trans	-61.3	-45.7	173.3	-74.5	-15.8	0	0	0	111.4	D107 S112 N113 S114	D107-D110 HydrophobicContact CB-CB 4.14Å; D107-D110 PolarHBondContact O-N 2.81Å; D107-D110 PolarHBondContact OD1-N 3.13Å; D110-S112 PolarHBondContact O-N 2.81Å; D110-N113 PolarHBondContact O-N 3.49Å; D110-S114 PolarHBondContact O-N 3.47Å; D110-S114 PolarHBondContact O-OG 3.29Å; D110-S114 VanDerWaalsContact O-OG 3.1Å
111	F	98.1	Very high	95.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56	-48.6	173.6	178.2	-102.4	0	0	0	112.4	I44 I48 I106 D107 N113 S114 L115 Y141 L178 V194	I44-F111 HydrophobicContact CG2-CE1 4.3Å; I48-F111 HydrophobicContact CD1-CD1 4.33Å; I48-F111 HydrophobicContact CG1-CD1 4.47Å; I106-F111 HydrophobicContact CG2-CB 3.84Å; I106-F111 HydrophobicContact CG2-CD2 4.35Å; I106-F111 HydrophobicContact CG2-CG 4.49Å; D107-F111 WeakPolarHBondContact O-CB 3.5Å; D107-F111 PolarHBondContact O-N 3.16Å; F111-N113 VanDerWaalsContact C-N 3.34Å; F111-N113 PolarHBondContact O-N 2.89Å; F111-S114 PolarHBondContact O-N 3.45Å; F111-L115 HydrophobicContact CD1-CD1 4.09Å; F111-L115 HydrophobicContact CD2-CD1 3.94Å; F111-L115 HydrophobicContact CE1-CD1 3.6Å; F111-L115 HydrophobicContact CE2-CD1 3.43Å; F111-L115 VanDerWaalsContact CE2-CD1 3.43Å; F111-L115 HydrophobicContact CG-CD1 4.25Å; F111-L115 HydrophobicContact CZ-CD1 3.25Å; F111-L115 PolarHBondContact O-N 2.97Å; F111-Y141 HydrophobicContact CD2-CD1 4.47Å; F111-Y141 HydrophobicContact CD2-CD2 4.29Å; F111-Y141 HydrophobicContact CD2-CE1 4.15Å; F111-Y141 AromaticContact CD2-CE2 3.93Å; F111-Y141 HydrophobicContact CD2-CE2 3.93Å; F111-Y141 AromaticContact CD2-CZ 3.86Å; F111-L178 HydrophobicContact CD2-CB 4.38Å; F111-L178 HydrophobicContact CD2-CD1 4.2Å; F111-L178 HydrophobicContact CE2-CB 3.58Å; F111-L178 HydrophobicContact CE2-CD1 3.86Å; F111-L178 HydrophobicContact CE2-CG 4.38Å; F111-L178 HydrophobicContact CZ-CB 4.03Å; F111-V194 HydrophobicContact CE2-CB 4.49Å; F111-V194 HydrophobicContact CE2-CG1 3.73Å; F111-V194 HydrophobicContact CZ-CB 4.29Å; F111-V194 HydrophobicContact CZ-CG1 3.95Å
112	S	96.8	Very high	94.7	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-42	176.2	-176.3	0	0	0	0	111.8	D108 Q109 D110 L115 T116	D108-S112 WeakPolarHBondContact O-CB 3.3Å; D108-S112 PolarHBondContact O-N 3.01Å; Q109-S112 PolarHBondContact O-N 3.4Å; D110-S112 PolarHBondContact O-N 2.81Å; S112-L115 PolarHBondContact O-N 3.01Å; S112-T116 VanDerWaalsContact O-CB 3.25Å; S112-T116 WeakPolarHBondContact O-CB 3.42Å; S112-T116 WeakPolarHBondContact O-CG2 3.18Å; S112-T116 PolarHBondContact O-N 3.37Å; S112-T116 PolarHBondContact O-OG1 2.92Å
113	N	95.6	Very high	93.4	Very high	70 Å²	70	49.9 Å²	49.9	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-65.1	-47	179.6	-75.8	-33	0	0	0	111.7	Q109 D110 F111 L115 T116 R117	Q109-N113 VanDerWaalsContact O-CB 3.31Å; Q109-N113 WeakPolarHBondContact O-CB 3.36Å; Q109-N113 PolarHBondContact O-N 2.84Å; Q109-N113 PolarHBondContact O-ND2 2.87Å; Q109-N113 VanDerWaalsContact O-ND2 3.13Å; D110-N113 PolarHBondContact O-N 3.49Å; F111-N113 VanDerWaalsContact C-N 3.34Å; F111-N113 PolarHBondContact O-N 2.89Å; N113-L115 VanDerWaalsContact C-N 3.26Å; N113-L115 PolarHBondContact O-N 3.37Å; N113-T116 PolarHBondContact O-N 3.35Å; N113-R117 WeakPolarHBondContact O-CB 3.42Å; N113-R117 PolarHBondContact O-N 2.88Å
114	S	95.9	Very high	91.3	Very high	6 Å²	6	53.6 Å²	53.6	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-57	-37.5	176.2	-64.8	0	0	0	0	113.1	D110 F111 S136 Y137 D138 Y141	D110-S114 PolarHBondContact O-N 3.47Å; D110-S114 PolarHBondContact O-OG 3.29Å; D110-S114 VanDerWaalsContact O-OG 3.1Å; F111-S114 PolarHBondContact O-N 3.45Å; S114-S136 WeakPolarHBondContact O-CB 3.39Å; S114-Y137 WeakPolarHBondContact O-CD1 3.34Å; S114-Y137 VanDerWaalsContact O-CE1 3.23Å; S114-Y137 WeakPolarHBondContact O-CE1 3.17Å; S114-D138 WeakPolarHBondContact CB-OD2 3.29Å; S114-D138 PolarHBondContact OG-OD2 2.91Å; S114-Y141 WeakPolarHBondContact OG-CE2 3.27Å
115	L	95.8	Very high	89	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-90.5	-16	-176.4	-67.8	168.9	0	0	0	114.1	M41 I44 F111 S112 N113 Y141 I143 V194	M41-L115 WeakPolarHBondContact CG-O 3.47Å; I44-L115 HydrophobicContact CD1-CB 4.11Å; I44-L115 HydrophobicContact CD1-CD1 3.87Å; I44-L115 HydrophobicContact CG2-CB 4.46Å; I44-L115 HydrophobicContact CG2-CD1 4.45Å; F111-L115 HydrophobicContact CD1-CD1 4.09Å; F111-L115 HydrophobicContact CD2-CD1 3.94Å; F111-L115 HydrophobicContact CE1-CD1 3.6Å; F111-L115 HydrophobicContact CE2-CD1 3.43Å; F111-L115 VanDerWaalsContact CE2-CD1 3.43Å; F111-L115 HydrophobicContact CG-CD1 4.25Å; F111-L115 HydrophobicContact CZ-CD1 3.25Å; F111-L115 PolarHBondContact O-N 2.97Å; S112-L115 PolarHBondContact O-N 3.01Å; N113-L115 VanDerWaalsContact C-N 3.26Å; N113-L115 PolarHBondContact O-N 3.37Å; L115-Y141 HydrophobicContact CD2-CD2 4.42Å; L115-Y141 HydrophobicContact CG-CD2 4.25Å; L115-I143 HydrophobicContact CD2-CD1 3.85Å; L115-I143 HydrophobicContact CD2-CG1 4.03Å; L115-V194 HydrophobicContact CD1-CG1 4.07Å; L115-V194 HydrophobicContact CD2-CG1 4.46Å
116	T	94.8	Very high	86.5	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-127.8	-10.1	-169.1	76.8	0	0	0	0	115.2	K28 F30 M41 I44 N45 S112 N113	K28-T116 PolarHBondContact NZ-OG1 3.28Å; F30-T116 HydrophobicContact CE1-CG2 4.45Å; M41-T116 HydrophobicContact CB-CG2 4.36Å; M41-T116 VanDerWaalsContact CE-O 3.31Å; M41-T116 WeakPolarHBondContact CE-O 3.49Å; M41-T116 VanDerWaalsContact O-CG2 3.27Å; M41-T116 WeakPolarHBondContact O-CG2 3.35Å; I44-T116 HydrophobicContact CB-CG2 4.24Å; I44-T116 HydrophobicContact CG2-CG2 4.11Å; N45-T116 HydrophobicContact CB-CG2 4.14Å; S112-T116 VanDerWaalsContact O-CB 3.25Å; S112-T116 WeakPolarHBondContact O-CB 3.42Å; S112-T116 WeakPolarHBondContact O-CG2 3.18Å; S112-T116 PolarHBondContact O-N 3.37Å; S112-T116 PolarHBondContact O-OG1 2.92Å; N113-T116 PolarHBondContact O-N 3.35Å
117	R	91.8	Very high	84	Confident	183 Å²	183	60.8 Å²	60.8	69%	0.691	32%	0.323	S	S	*	.	S	Bend	trans	-68.4	-40.1	176.8	-175.5	-175.6	-176.1	177.4	-1.1	111.8	N113 Y137	N113-R117 WeakPolarHBondContact O-CB 3.42Å; N113-R117 PolarHBondContact O-N 2.88Å; R117-Y137 HydrophobicContact CB-CD1 4.4Å; R117-Y137 HydrophobicContact CB-CE1 3.68Å; R117-Y137 VanDerWaalsContact CD-OH 3.23Å; R117-Y137 WeakPolarHBondContact CD-OH 3.4Å; R117-Y137 HydrophobicContact CG-CE1 4.45Å
118	S	90.6	Very high	81.3	Confident	58 Å²	58	67.4 Å²	67.4	41%	0.406	34%	0.341	S	S	.	.	S	Bend	trans	-137.9	156.5	172.6	-175.8	0	0	0	0	109.3
119	A	90.4	Very high	78.8	Confident	23 Å²	23	71.2 Å²	71.2	19%	0.19	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-59.5	137.1	178.3	0	0	0	0	0	110.6	A32 M41	A32-A119 HydrophobicContact CB-CB 3.81Å; M41-A119 HydrophobicContact SD-CB 4.2Å
120	P	92.8	Very high	76.9	Confident	6 Å²	6	70.4 Å²	70.4	4%	0.039	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-56.2	141.6	170.6	-26.4	35.9	0	0	0	111.9	L37 H134 T135 I143	L37-P120 HydrophobicContact CD2-CB 4.44Å; L37-P120 HydrophobicContact CD2-CG 4.39Å; P120-H134 HydrophobicContact CB-CB 3.78Å; P120-T135 CarbonylContact C-O 3.5Å; P120-T135 VanDerWaalsContact CA-O 3.27Å; P120-T135 WeakPolarHBondContact CA-O 3.14Å; P120-I143 HydrophobicContact CB-CD1 3.64Å; P120-I143 HydrophobicContact CG-CD1 3.51Å
121	L	89.4	Confident	75.4	Confident	91 Å²	91	67.4 Å²	67.4	48%	0.476	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	136.1	179.4	-57.1	175.9	0	0	0	109.7	H134 T135	L121-H134 CarbonylContact O-C 3.56Å; L121-H134 WeakPolarHBondContact O-CA 3.07Å; L121-H134 WeakPolarHBondContact O-CB 3.49Å; L121-T135 PolarHBondContact N-O 3.47Å; L121-T135 PolarHBondContact O-N 2.74Å
122	N	83.3	Confident	74.7	Confident	103 Å²	103	72.2 Å²	72.2	55%	0.551	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.7	173.2	-67.1	-23.7	0	0	0	109.8	H134	N122-H134 PolarHBondContact OD1-CD2 2.72Å; N122-H134 PolarHBondContact OD1-NE2 3.41Å
123	S	70	Confident	74.3	Confident	41 Å²	41	74.2 Å²	74.2	29%	0.287	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	115.5	161	-142.9	0	0	0	0	106	A125 F133 E267	S123-A125 PolarHBondContact O-N 2.86Å; S123-F133 PolarHBondContact N-O 2.79Å; S123-E267 WeakPolarHBondContact CB-OE1 2.83Å; S123-E267 PolarHBondContact OG-OE1 3.04Å
124	E	52.9	Low	74.1	Confident	169 Å²	169	71 Å²	71	79%	0.79	38%	0.379	S	S	*	.			trans	-71.9	14.2	178.8	-68	-166	159.1	0	0	113.5	Q126	E124-Q126 PolarHBondContact O-N 2.73Å
125	A	49.5	Very low	74	Confident	30 Å²	30	72 Å²	72	25%	0.248	38%	0.384	C	S	.	.			trans	-69.8	81.6	178.2	0	0	0	0	0	108.6	S123 G127 F133 E267	S123-A125 PolarHBondContact O-N 2.86Å; A125-G127 PolarHBondContact O-N 3.4Å; A125-F133 WeakPolarHBondContact O-CD2 3.34Å; A125-E267 WeakPolarHBondContact CA-OE1 3.42Å; A125-E267 WeakPolarHBondContact CA-OE2 3.41Å; A125-E267 WeakPolarHBondContact CB-OE1 3.31Å; A125-E267 WeakPolarHBondContact CB-OE2 3.25Å; A125-E267 PolarHBondContact N-OE1 2.92Å; A125-E267 PolarHBondContact N-OE2 3Å
126	Q	43.8	Very low	74	Confident	179 Å²	179	71.9 Å²	71.9	84%	0.836	38%	0.384	S	S	*	.			trans	-66.4	76.2	155.1	-70.7	-175.8	-4.5	0	0	107.1	E124	E124-Q126 PolarHBondContact O-N 2.73Å
127	G	46.5	Very low	73.8	Confident	39 Å²	39	75.1 Å²	75.1	40%	0.402	40%	0.396	S	S	.	.			trans	-53	157.1	158.7	0	0	0	0	0	108.8	A125 S129 G130	A125-G127 PolarHBondContact O-N 3.4Å; G127-S129 PolarHBondContact O-N 3.42Å; G127-G130 PolarHBondContact O-N 3.26Å
128	R	40	Very low	73.8	Confident	222 Å²	222	68 Å²	68	84%	0.838	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-18.3	-178.3	-91.8	-179.7	156	175.6	-3.8	115.7
129	S	44.3	Very low	73.9	Confident	108 Å²	108	70.5 Å²	70.5	76%	0.755	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.9	-179.7	-164.4	0	0	0	0	115.3	G127 A131	G127-S129 PolarHBondContact O-N 3.42Å; S129-A131 PolarHBondContact O-N 2.73Å
130	G	55.8	Low	74.1	Confident	58 Å²	58	73.2 Å²	73.2	60%	0.598	38%	0.381	S	S	*	.			trans	66.3	12.5	-176.3	0	0	0	0	0	114.6	G127	G127-G130 PolarHBondContact O-N 3.26Å
131	A	66	Low	74.3	Confident	24 Å²	24	73.3 Å²	73.3	20%	0.198	38%	0.38	C	S	.	.			trans	-71.4	130.2	177.8	0	0	0	0	0	110	S129 F133	S129-A131 PolarHBondContact O-N 2.73Å; A131-F133 HydrophobicContact CB-CE2 3.98Å; A131-F133 HydrophobicContact CB-CZ 4.21Å; A131-F133 WeakPolarHBondContact O-CD2 3.46Å; A131-F133 WeakPolarHBondContact O-CE2 3.32Å
132	R	82.2	Confident	74.6	Confident	101 Å²	101	69.8 Å²	69.8	38%	0.381	36%	0.363	S	S	.	.			trans	-83.2	130.8	175.9	-65.2	-174.5	-72.4	160.2	-6.3	110.2	D34 T145	D34-R132 IonicContact OD2-NH1 2.86Å; D34-R132 PolarHBondContact OD2-NH1 2.84Å; R132-T145 WeakPolarHBondContact O-CB 3.4Å; R132-T145 PolarHBondContact O-N 3.14Å; R132-T145 PolarHBondContact O-OG1 3.46Å
133	F	88.5	Confident	75.2	Confident	43 Å²	43	64.9 Å²	64.9	19%	0.189	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.6	177	-62	-97.1	0	0	0	109.7	S123 A125 A131 V142 I143 K144	S123-F133 PolarHBondContact N-O 2.79Å; A125-F133 WeakPolarHBondContact O-CD2 3.34Å; A131-F133 HydrophobicContact CB-CE2 3.98Å; A131-F133 HydrophobicContact CB-CZ 4.21Å; A131-F133 WeakPolarHBondContact O-CD2 3.46Å; A131-F133 WeakPolarHBondContact O-CE2 3.32Å; F133-V142 HydrophobicContact CD1-CG1 4.27Å; F133-I143 WeakPolarHBondContact CA-O 3.18Å; F133-K144 HydrophobicContact CD1-CB 4.37Å; F133-K144 HydrophobicContact CD1-CD 4.05Å; F133-K144 HydrophobicContact CD1-CG 3.66Å; F133-K144 HydrophobicContact CE1-CB 4.35Å; F133-K144 HydrophobicContact CE1-CD 3.54Å; F133-K144 HydrophobicContact CE1-CG 3.67Å
134	H	92.2	Very high	76.3	Confident	3 Å²	3	64.5 Å²	64.5	1%	0.014	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.8	167.8	-49	75.6	0	0	0	109.2	P120 L121 N122 V142 I143	P120-H134 HydrophobicContact CB-CB 3.78Å; L121-H134 CarbonylContact O-C 3.56Å; L121-H134 WeakPolarHBondContact O-CA 3.07Å; L121-H134 WeakPolarHBondContact O-CB 3.49Å; N122-H134 PolarHBondContact OD1-CD2 2.72Å; N122-H134 PolarHBondContact OD1-NE2 3.41Å; H134-V142 CarbonylContact O-C 3.59Å; H134-V142 WeakPolarHBondContact O-CA 3.43Å; H134-I143 HydrophobicContact CB-CB 4.22Å; H134-I143 HydrophobicContact CB-CD1 4.13Å; H134-I143 PolarHBondContact N-O 3.22Å; H134-I143 PolarHBondContact O-N 2.94Å
135	T	93.1	Very high	78.3	Confident	26 Å²	26	57.7 Å²	57.7	16%	0.16	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.9	177.1	-58.7	0	0	0	0	108.4	P120 L121 K139 Y141	P120-T135 CarbonylContact C-O 3.5Å; P120-T135 VanDerWaalsContact CA-O 3.27Å; P120-T135 WeakPolarHBondContact CA-O 3.14Å; L121-T135 PolarHBondContact N-O 3.47Å; L121-T135 PolarHBondContact O-N 2.74Å; T135-K139 HydrophobicContact CG2-CB 4.27Å; T135-K139 HydrophobicContact CG2-CG 4.34Å; T135-Y141 CarbonylContact C-O 3.48Å; T135-Y141 WeakPolarHBondContact CA-O 3.47Å
136	S	95	Very high	80.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.293	C	S	.	.			trans	-57	153.9	173.6	61.6	0	0	0	0	110.5	S114 D138 K139 R140 Y141	S114-S136 WeakPolarHBondContact O-CB 3.39Å; S136-D138 VanDerWaalsContact CB-OD1 3.28Å; S136-D138 WeakPolarHBondContact CB-OD1 3.18Å; S136-D138 PolarHBondContact O-N 3.15Å; S136-D138 VanDerWaalsContact O-N 3.13Å; S136-D138 PolarHBondContact OG-OD1 2.73Å; S136-K139 WeakPolarHBondContact O-CA 3.48Å; S136-K139 PolarHBondContact O-N 2.98Å; S136-R140 PolarHBondContact OG-N 3.26Å; S136-R140 VanDerWaalsContact OG-N 3.13Å; S136-Y141 PolarHBondContact N-O 3.47Å; S136-Y141 PolarHBondContact OG-N 2.88Å; S136-Y141 PolarHBondContact OG-O 3.22Å
137	Y	91.4	Very high	82.7	Confident	71 Å²	71	50.9 Å²	50.9	28%	0.278	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.6	-175.6	78.3	-84.8	0	0	0	112.9	S114 R117 K139	S114-Y137 WeakPolarHBondContact O-CD1 3.34Å; S114-Y137 VanDerWaalsContact O-CE1 3.23Å; S114-Y137 WeakPolarHBondContact O-CE1 3.17Å; R117-Y137 HydrophobicContact CB-CD1 4.4Å; R117-Y137 HydrophobicContact CB-CE1 3.68Å; R117-Y137 VanDerWaalsContact CD-OH 3.23Å; R117-Y137 WeakPolarHBondContact CD-OH 3.4Å; R117-Y137 HydrophobicContact CG-CE1 4.45Å; Y137-K139 VanDerWaalsContact C-N 3.32Å
138	D	91.6	Very high	85	Confident	32 Å²	32	51.8 Å²	51.8	17%	0.171	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	8.9	176.9	65.1	-3.3	0	0	0	113.1	S114 S136 R140 H201	S114-D138 WeakPolarHBondContact CB-OD2 3.29Å; S114-D138 PolarHBondContact OG-OD2 2.91Å; S136-D138 VanDerWaalsContact CB-OD1 3.28Å; S136-D138 WeakPolarHBondContact CB-OD1 3.18Å; S136-D138 PolarHBondContact O-N 3.15Å; S136-D138 VanDerWaalsContact O-N 3.13Å; S136-D138 PolarHBondContact OG-OD1 2.73Å; D138-R140 HydrophobicContact CB-CG 4.46Å; D138-R140 PolarHBondContact O-N 3.18Å; D138-R140 PolarHBondContact OD1-N 3.05Å; D138-R140 WeakPolarHBondContact OD2-CD 3.35Å; D138-H201 WeakPolarHBondContact O-CB 3.4Å
139	K	92.3	Very high	87.5	Confident	111 Å²	111	47.3 Å²	47.3	48%	0.483	26%	0.257	S	S	.	.	S	Bend	trans	59.8	12.8	176.9	-56.8	176.8	-176.7	176.3	0	115.7	T135 S136 Y137 N197 H201	T135-K139 HydrophobicContact CG2-CB 4.27Å; T135-K139 HydrophobicContact CG2-CG 4.34Å; S136-K139 WeakPolarHBondContact O-CA 3.48Å; S136-K139 PolarHBondContact O-N 2.98Å; Y137-K139 VanDerWaalsContact C-N 3.32Å; K139-N197 VanDerWaalsContact O-CB 3.31Å; K139-N197 WeakPolarHBondContact O-CB 3.23Å; K139-N197 PolarHBondContact O-ND2 3.37Å; K139-H201 HydrophobicContact CB-CB 4.17Å
140	R	94.8	Very high	89.8	Confident	81 Å²	81	44.1 Å²	44.1	31%	0.306	23%	0.231	S	C	.	.	S	Bend	trans	-78.7	-29.2	-180	-67.4	-172.6	173.8	-151.3	-1.7	114.2	S136 D138 N197 H201	S136-R140 PolarHBondContact OG-N 3.26Å; S136-R140 VanDerWaalsContact OG-N 3.13Å; D138-R140 HydrophobicContact CB-CG 4.46Å; D138-R140 PolarHBondContact O-N 3.18Å; D138-R140 PolarHBondContact OD1-N 3.05Å; D138-R140 WeakPolarHBondContact OD2-CD 3.35Å; R140-N197 WeakPolarHBondContact O-CB 3.37Å; R140-N197 PolarHBondContact O-N 3.31Å; R140-H201 HydrophobicContact CG-CB 4.33Å
141	Y	97.2	Very high	91.8	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.027	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.3	-173.1	-53.4	-61	0	0	0	112.1	I106 F111 S114 L115 T135 S136 L178 T195	I106-Y141 HydrophobicContact CD1-CE1 4.03Å; I106-Y141 WeakPolarHBondContact CG2-OH 3.42Å; F111-Y141 HydrophobicContact CD2-CD1 4.47Å; F111-Y141 HydrophobicContact CD2-CD2 4.29Å; F111-Y141 HydrophobicContact CD2-CE1 4.15Å; F111-Y141 AromaticContact CD2-CE2 3.93Å; F111-Y141 HydrophobicContact CD2-CE2 3.93Å; F111-Y141 AromaticContact CD2-CZ 3.86Å; S114-Y141 WeakPolarHBondContact OG-CE2 3.27Å; L115-Y141 HydrophobicContact CD2-CD2 4.42Å; L115-Y141 HydrophobicContact CG-CD2 4.25Å; T135-Y141 CarbonylContact C-O 3.48Å; T135-Y141 WeakPolarHBondContact CA-O 3.47Å; S136-Y141 PolarHBondContact N-O 3.47Å; S136-Y141 PolarHBondContact OG-N 2.88Å; S136-Y141 PolarHBondContact OG-O 3.22Å; Y141-L178 HydrophobicContact CD1-CD1 3.32Å; Y141-L178 HydrophobicContact CE1-CD1 3.39Å; Y141-L178 HydrophobicContact CG-CD1 4.39Å; Y141-T195 CarbonylContact C-O 3.52Å; Y141-T195 WeakPolarHBondContact CA-O 3.37Å
142	V	96	Very high	93.2	Very high	18 Å²	18	43.1 Å²	43.1	11%	0.109	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132	173.7	177.2	0	0	0	0	108.7	F133 H134 K144 V194 T195 N197	F133-V142 HydrophobicContact CD1-CG1 4.27Å; H134-V142 CarbonylContact O-C 3.59Å; H134-V142 WeakPolarHBondContact O-CA 3.43Å; V142-K144 HydrophobicContact CG1-CG 3.92Å; V142-V194 WeakPolarHBondContact O-CA 3.37Å; V142-T195 PolarHBondContact N-O 2.76Å; V142-T195 PolarHBondContact O-N 3Å; V142-N197 HydrophobicContact CG2-CB 3.99Å
143	I	96.6	Very high	93.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.3	175.1	-55.1	146.2	0	0	0	107.2	L40 L115 P120 F133 H134 M192 I193 V194	L40-I143 HydrophobicContact CD2-CD1 3.9Å; L40-I143 HydrophobicContact CD2-CG1 4.41Å; L40-I143 HydrophobicContact CD2-CG2 3.99Å; L115-I143 HydrophobicContact CD2-CD1 3.85Å; L115-I143 HydrophobicContact CD2-CG1 4.03Å; P120-I143 HydrophobicContact CB-CD1 3.64Å; P120-I143 HydrophobicContact CG-CD1 3.51Å; F133-I143 WeakPolarHBondContact CA-O 3.18Å; H134-I143 HydrophobicContact CB-CB 4.22Å; H134-I143 HydrophobicContact CB-CD1 4.13Å; H134-I143 PolarHBondContact N-O 3.22Å; H134-I143 PolarHBondContact O-N 2.94Å; I143-M192 HydrophobicContact CG2-CB 4.07Å; I143-M192 HydrophobicContact CG2-CG 4.3Å; I143-M192 HydrophobicContact CG2-SD 3.9Å; I143-I193 WeakPolarHBondContact CA-O 3.01Å; I143-V194 HydrophobicContact CG1-CG2 3.99Å; I143-V194 HydrophobicContact CG2-CG2 4.47Å
144	K	93.6	Very high	94.2	Very high	33 Å²	33	37.4 Å²	37.4	14%	0.143	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.6	178.4	-56.1	-168.7	173.7	-167	0	110.1	F133 V142 I146 M192 I193 D396	F133-K144 HydrophobicContact CD1-CB 4.37Å; F133-K144 HydrophobicContact CD1-CD 4.05Å; F133-K144 HydrophobicContact CD1-CG 3.66Å; F133-K144 HydrophobicContact CE1-CB 4.35Å; F133-K144 HydrophobicContact CE1-CD 3.54Å; F133-K144 HydrophobicContact CE1-CG 3.67Å; V142-K144 HydrophobicContact CG1-CG 3.92Å; K144-I146 HydrophobicContact CB-CG2 4.39Å; K144-M192 CarbonylContact O-C 3.47Å; K144-M192 VanDerWaalsContact O-CA 3.28Å; K144-M192 WeakPolarHBondContact O-CA 3.49Å; K144-I193 HydrophobicContact CB-CG2 3.99Å; K144-I193 PolarHBondContact N-O 2.96Å; K144-I193 PolarHBondContact O-N 3.11Å; K144-D396 IonicContact NZ-OD1 3.2Å; K144-D396 PolarHBondContact NZ-OD1 3.27Å
145	T	93.6	Very high	94.5	Very high	26 Å²	26	40 Å²	40	16%	0.16	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.8	164.1	-56.2	0	0	0	0	108.8	R132 T190 Y191	R132-T145 WeakPolarHBondContact O-CB 3.4Å; R132-T145 PolarHBondContact O-N 3.14Å; R132-T145 PolarHBondContact O-OG1 3.46Å; T145-T190 HydrophobicContact CG2-CG2 3.88Å; T145-Y191 WeakPolarHBondContact CA-O 3.38Å
146	I	93.6	Very high	94.6	Very high	22 Å²	22	44 Å²	44	11%	0.113	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	163.4	-178.6	59.9	169.4	0	0	0	110.9	K144 D150 V151 M180 Y191 I193	K144-I146 HydrophobicContact CB-CG2 4.39Å; I146-D150 HydrophobicContact CB-CB 3.83Å; I146-D150 HydrophobicContact CD1-CB 4.19Å; I146-D150 HydrophobicContact CG1-CB 4.42Å; I146-V151 HydrophobicContact CD1-CG2 3.54Å; I146-V151 HydrophobicContact CG1-CG2 4.05Å; I146-M180 HydrophobicContact CD1-SD 4.44Å; I146-Y191 PolarHBondContact N-O 2.86Å; I146-Y191 WeakPolarHBondContact O-CB 3.37Å; I146-I193 HydrophobicContact CD1-CB 4.01Å; I146-I193 HydrophobicContact CD1-CG2 4.23Å; I146-I193 HydrophobicContact CG2-CG2 3.68Å
147	S	93.3	Very high	94.7	Very high	43 Å²	43	44.1 Å²	44.1	30%	0.301	23%	0.228	S	C	.	.			trans	-80.4	166	175.9	67	0	0	0	0	112	E149 D150 V151	S147-E149 WeakPolarHBondContact CB-OE2 3.24Å; S147-E149 PolarHBondContact O-N 2.88Å; S147-D150 WeakPolarHBondContact CB-OD2 3.33Å; S147-D150 PolarHBondContact N-OD2 2.87Å; S147-D150 PolarHBondContact O-N 3.48Å; S147-D150 PolarHBondContact OG-N 2.74Å; S147-D150 VanDerWaalsContact OG-N 3.08Å; S147-D150 PolarHBondContact OG-OD2 3.4Å; S147-V151 PolarHBondContact O-N 2.8Å
148	S	93.8	Very high	95.1	Very high	58 Å²	58	40.8 Å²	40.8	41%	0.406	22%	0.215	S	C	.	.	H	α-helix	trans	-60.8	-32.5	170.1	38.9	0	0	0	0	112.8	V151 A152	S148-V151 PolarHBondContact O-N 2.93Å; S148-A152 PolarHBondContact O-N 3.38Å
149	E	92.2	Very high	95.4	Very high	129 Å²	129	45 Å²	45	60%	0.603	23%	0.232	S	C	*	.	H	α-helix	trans	-66.6	-42.7	176.9	-67.6	76	-177.3	0	0	110.6	S147 V151 A152 E153	S147-E149 WeakPolarHBondContact CB-OE2 3.24Å; S147-E149 PolarHBondContact O-N 2.88Å; E149-V151 VanDerWaalsContact C-N 3.31Å; E149-V151 PolarHBondContact O-N 3.45Å; E149-A152 WeakPolarHBondContact O-CB 3.35Å; E149-A152 PolarHBondContact O-N 3.33Å; E149-E153 PolarHBondContact O-N 3.07Å
150	D	94.1	Very high	95.7	Very high	41 Å²	41	45.2 Å²	45.2	22%	0.219	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-37.5	174.7	-64.6	-44.7	0	0	0	111.7	I146 S147 E153 M154 L398	I146-D150 HydrophobicContact CB-CB 3.83Å; I146-D150 HydrophobicContact CD1-CB 4.19Å; I146-D150 HydrophobicContact CG1-CB 4.42Å; S147-D150 WeakPolarHBondContact CB-OD2 3.33Å; S147-D150 PolarHBondContact N-OD2 2.87Å; S147-D150 PolarHBondContact O-N 3.48Å; S147-D150 PolarHBondContact OG-N 2.74Å; S147-D150 VanDerWaalsContact OG-N 3.08Å; S147-D150 PolarHBondContact OG-OD2 3.4Å; D150-E153 PolarHBondContact O-N 3.06Å; D150-M154 WeakPolarHBondContact O-CB 3.2Å; D150-M154 PolarHBondContact O-N 3.34Å; D150-L398 HydrophobicContact CB-CB 4.44Å; D150-L398 HydrophobicContact CB-CD1 3.95Å
151	V	96.7	Very high	95.9	Very high	8 Å²	8	41.4 Å²	41.4	5%	0.048	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-42	174.7	171.9	0	0	0	0	111.2	Y92 I146 S147 S148 E149 M154 H155 M180 Y191	Y92-V151 HydrophobicContact CE1-CG1 4.21Å; Y92-V151 HydrophobicContact CE2-CG1 4.48Å; I146-V151 HydrophobicContact CD1-CG2 3.54Å; I146-V151 HydrophobicContact CG1-CG2 4.05Å; S147-V151 PolarHBondContact O-N 2.8Å; S148-V151 PolarHBondContact O-N 2.93Å; E149-V151 VanDerWaalsContact C-N 3.31Å; E149-V151 PolarHBondContact O-N 3.45Å; V151-M154 PolarHBondContact O-N 2.93Å; V151-H155 PolarHBondContact O-CD2 2.88Å; V151-H155 PolarHBondContact O-N 2.81Å; V151-M180 HydrophobicContact CB-SD 4.36Å; V151-M180 HydrophobicContact CG1-CE 3.96Å; V151-M180 HydrophobicContact CG1-SD 4.07Å; V151-M180 HydrophobicContact CG2-SD 4.12Å; V151-Y191 HydrophobicContact CB-CD1 4.49Å; V151-Y191 HydrophobicContact CG2-CD1 3.64Å; V151-Y191 HydrophobicContact CG2-CE1 4.44Å; V151-Y191 HydrophobicContact CG2-CG 3.96Å
152	A	96	Very high	95.9	Very high	53 Å²	53	42.2 Å²	42.2	44%	0.438	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-43.3	176.1	0	0	0	0	0	111.1	S148 E149 H155 N156	S148-A152 PolarHBondContact O-N 3.38Å; E149-A152 WeakPolarHBondContact O-CB 3.35Å; E149-A152 PolarHBondContact O-N 3.33Å; A152-H155 PolarHBondContact O-N 3.3Å; A152-N156 VanDerWaalsContact O-CG 3.31Å; A152-N156 PolarHBondContact O-N 3.43Å; A152-N156 PolarHBondContact O-ND2 2.88Å
153	E	95.1	Very high	96	Very high	24 Å²	24	46.2 Å²	46.2	11%	0.112	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-39.1	177.8	-168.2	56.1	-155.8	0	0	112.1	E149 D150 H155 N156 I157 L309 L398 H400	E149-E153 PolarHBondContact O-N 3.07Å; D150-E153 PolarHBondContact O-N 3.06Å; E153-H155 VanDerWaalsContact C-N 3.31Å; E153-H155 PolarHBondContact O-N 3.1Å; E153-N156 WeakPolarHBondContact O-CB 3.33Å; E153-N156 PolarHBondContact O-N 3.19Å; E153-N156 PolarHBondContact OE2-ND2 3.1Å; E153-I157 PolarHBondContact O-N 2.85Å; E153-L309 HydrophobicContact CG-CD2 4.28Å; E153-L398 WeakPolarHBondContact CG-O 3.38Å; E153-H400 HydrophobicContact CG-CB 4.11Å; E153-H400 IonicContact OE1-CD2 3.96Å; E153-H400 PolarHBondContact OE1-CD2 3.11Å; E153-H400 IonicContact OE1-CG 3.89Å; E153-H400 IonicContact OE2-CG 2.78Å
154	M	97.3	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.3	-47.6	171.6	178.2	53.1	79.2	0	0	110.8	D150 V151 N156 I157 L158 F177 M180 I193 L398	D150-M154 WeakPolarHBondContact O-CB 3.2Å; D150-M154 PolarHBondContact O-N 3.34Å; V151-M154 PolarHBondContact O-N 2.93Å; M154-N156 VanDerWaalsContact C-N 3.29Å; M154-N156 PolarHBondContact O-N 2.92Å; M154-I157 WeakPolarHBondContact O-CG1 3.39Å; M154-I157 PolarHBondContact O-N 3.39Å; M154-I157 HydrophobicContact SD-CD1 4.43Å; M154-I157 HydrophobicContact SD-CG1 4.2Å; M154-L158 WeakPolarHBondContact O-CA 3.45Å; M154-L158 VanDerWaalsContact O-CB 3.23Å; M154-L158 WeakPolarHBondContact O-CB 3.14Å; M154-L158 PolarHBondContact O-N 3.13Å; M154-L158 HydrophobicContact SD-CD1 4.14Å; M154-F177 HydrophobicContact CE-CB 4.46Å; M154-F177 HydrophobicContact CE-CD1 3.6Å; M154-F177 HydrophobicContact CE-CD2 3.43Å; M154-F177 VanDerWaalsContact CE-CD2 3.43Å; M154-F177 HydrophobicContact CE-CE1 3.5Å; M154-F177 HydrophobicContact CE-CE2 3.33Å; M154-F177 HydrophobicContact CE-CG 3.58Å; M154-F177 HydrophobicContact CE-CZ 3.37Å; M154-F177 HydrophobicContact SD-CD2 4.28Å; M154-F177 HydrophobicContact SD-CE2 4.39Å; M154-M180 HydrophobicContact CB-CE 4.49Å; M154-M180 HydrophobicContact CB-SD 3.9Å; M154-M180 HydrophobicContact CG-CE 4.1Å; M154-M180 HydrophobicContact CG-SD 3.65Å; M154-I193 HydrophobicContact CE-CD1 3.34Å; M154-L398 HydrophobicContact CB-CD2 4.21Å; M154-L398 HydrophobicContact CE-CD1 4.28Å; M154-L398 HydrophobicContact CE-CD2 3.82Å
155	H	97.6	Very high	96.4	Very high	57 Å²	57	45.8 Å²	45.8	26%	0.264	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-35.9	175.2	-86.1	-71.4	0	0	0	113.3	F65 Y92 C93 V151 A152 E153 I157	F65-H155 PolarHBondContact O-ND1 2.78Å; Y92-H155 AromaticContact CD1-NE2 3.25Å; Y92-H155 WeakPolarHBondContact CD1-NE2 3.31Å; Y92-H155 AromaticContact CE1-NE2 3.9Å; Y92-H155 AromaticContact CG-NE2 3.96Å; C93-H155 PolarHBondContact SG-CE1 3.49Å; V151-H155 PolarHBondContact O-CD2 2.88Å; V151-H155 PolarHBondContact O-N 2.81Å; A152-H155 PolarHBondContact O-N 3.3Å; E153-H155 VanDerWaalsContact C-N 3.31Å; E153-H155 PolarHBondContact O-N 3.1Å; H155-I157 VanDerWaalsContact C-N 3.32Å; H155-I157 PolarHBondContact O-N 2.54Å
156	N	95.9	Very high	96.6	Very high	110 Å²	110	46.9 Å²	46.9	59%	0.588	24%	0.244	S	C	*	.	H	α-helix	trans	-63.7	-38.8	177	-67.3	-25.9	0	0	0	111.9	A152 E153 M154	A152-N156 VanDerWaalsContact O-CG 3.31Å; A152-N156 PolarHBondContact O-N 3.43Å; A152-N156 PolarHBondContact O-ND2 2.88Å; E153-N156 WeakPolarHBondContact O-CB 3.33Å; E153-N156 PolarHBondContact O-N 3.19Å; E153-N156 PolarHBondContact OE2-ND2 3.1Å; M154-N156 VanDerWaalsContact C-N 3.29Å; M154-N156 PolarHBondContact O-N 2.92Å
157	I	97.2	Very high	96.8	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.015	27%	0.265	C	S	.	.	H	α-helix	trans	-93.5	-21.6	-175.4	71.4	170.8	0	0	0	113.4	E153 M154 H155 K159 K160 Y161 L307 L309 L398	E153-I157 PolarHBondContact O-N 2.85Å; M154-I157 WeakPolarHBondContact O-CG1 3.39Å; M154-I157 PolarHBondContact O-N 3.39Å; M154-I157 HydrophobicContact SD-CD1 4.43Å; M154-I157 HydrophobicContact SD-CG1 4.2Å; H155-I157 VanDerWaalsContact C-N 3.32Å; H155-I157 PolarHBondContact O-N 2.54Å; I157-K159 VanDerWaalsContact C-N 3.29Å; I157-K159 PolarHBondContact O-N 3.28Å; I157-K159 VanDerWaalsContact O-N 3.1Å; I157-K160 PolarHBondContact O-N 3.29Å; I157-Y161 PolarHBondContact O-N 3.02Å; I157-L307 HydrophobicContact CB-CD1 3.93Å; I157-L307 HydrophobicContact CG2-CD1 3.88Å; I157-L309 HydrophobicContact CD1-CD1 4.27Å; I157-L309 HydrophobicContact CG2-CD1 4.32Å; I157-L398 HydrophobicContact CD1-CD2 3.72Å
158	L	98.4	Very high	96.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-54	-40.3	-166.1	-173.3	63.1	0	0	0	113.7	F65 C93 V96 F97 L100 M154 H162	F65-L158 HydrophobicContact CD1-CB 4.3Å; F65-L158 HydrophobicContact CD1-CD2 4.04Å; F65-L158 HydrophobicContact CD1-CG 3.87Å; F65-L158 HydrophobicContact CE1-CG 4.24Å; C93-L158 HydrophobicContact CB-CD2 3.77Å; C93-L158 VanDerWaalsContact SG-CD2 3.51Å; V96-L158 HydrophobicContact CB-CD2 4.45Å; V96-L158 HydrophobicContact CG1-CD1 4.17Å; V96-L158 HydrophobicContact CG1-CD2 4.06Å; V96-L158 HydrophobicContact CG1-CG 4.03Å; F97-L158 HydrophobicContact CE1-CD1 4.34Å; F97-L158 HydrophobicContact CZ-CD1 4.15Å; L100-L158 HydrophobicContact CD1-CD1 4.3Å; M154-L158 WeakPolarHBondContact O-CA 3.45Å; M154-L158 VanDerWaalsContact O-CB 3.23Å; M154-L158 WeakPolarHBondContact O-CB 3.14Å; M154-L158 PolarHBondContact O-N 3.13Å; M154-L158 HydrophobicContact SD-CD1 4.14Å; L158-H162 WeakPolarHBondContact O-CB 3.42Å; L158-H162 PolarHBondContact O-N 2.57Å
159	K	98.2	Very high	97.1	Very high	121 Å²	121	55.5 Å²	55.5	53%	0.526	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-44.4	177.6	-174.6	177.5	178.9	-179.9	0	112.3	F65 I157 Q163	F65-K159 HydrophobicContact CD1-CB 3.98Å; F65-K159 VanDerWaalsContact CE1-CA 3.5Å; F65-K159 HydrophobicContact CE1-CB 4.11Å; F65-K159 HydrophobicContact CE1-CG 4.43Å; F65-K159 HydrophobicContact CG-CB 4.37Å; F65-K159 HydrophobicContact CZ-CG 4.42Å; I157-K159 VanDerWaalsContact C-N 3.29Å; I157-K159 PolarHBondContact O-N 3.28Å; I157-K159 VanDerWaalsContact O-N 3.1Å; K159-Q163 PolarHBondContact O-N 2.83Å; K159-Q163 VanDerWaalsContact O-N 3.13Å
160	K	98.4	Very high	97.3	Very high	115 Å²	115	49.8 Å²	49.8	50%	0.5	25%	0.251	S	S	.	.	H	α-helix	trans	-72.7	-37.3	179.2	-65.5	-179.8	178.8	179.7	0	111.2	I157 Q163 F164 F303 L307	I157-K160 PolarHBondContact O-N 3.29Å; K160-Q163 PolarHBondContact O-N 2.93Å; K160-F164 WeakPolarHBondContact O-CB 3.36Å; K160-F164 PolarHBondContact O-N 3.01Å; K160-F303 HydrophobicContact CB-CE2 4.15Å; K160-F303 HydrophobicContact CB-CZ 4.41Å; K160-L307 HydrophobicContact CB-CD2 4.16Å; K160-L307 HydrophobicContact CD-CD2 3.25Å; K160-L307 HydrophobicContact CG-CD2 4.36Å
161	Y	98.7	Very high	97.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-50.5	173	174.8	-94.2	0	0	0	111	L100 F104 I157 Q163 F164 I165 P175 Q176 F177 F303	L100-Y161 HydrophobicContact CD1-CD1 4.27Å; L100-Y161 HydrophobicContact CD1-CE1 3.94Å; L100-Y161 HydrophobicContact CD2-CD1 4.24Å; L100-Y161 HydrophobicContact CD2-CE1 3.79Å; F104-Y161 WeakPolarHBondContact CZ-OH 3.34Å; I157-Y161 PolarHBondContact O-N 3.02Å; Y161-Q163 VanDerWaalsContact C-N 3.33Å; Y161-Q163 PolarHBondContact O-N 2.97Å; Y161-F164 WeakPolarHBondContact O-CB 3.47Å; Y161-F164 PolarHBondContact O-N 2.94Å; Y161-F164 VanDerWaalsContact O-N 3.13Å; Y161-I165 HydrophobicContact CD1-CG1 4.17Å; Y161-I165 HydrophobicContact CE1-CD1 4.41Å; Y161-I165 HydrophobicContact CE1-CG1 3.73Å; Y161-I165 HydrophobicContact CE2-CD1 4.05Å; Y161-I165 HydrophobicContact CE2-CG1 4.14Å; Y161-I165 WeakPolarHBondContact O-CG1 3.23Å; Y161-I165 PolarHBondContact O-N 3.47Å; Y161-P175 PolarHBondContact OH-O 3.13Å; Y161-Q176 WeakPolarHBondContact OH-CA 3.47Å; Y161-F177 HydrophobicContact CD1-CD2 4.23Å; Y161-F177 HydrophobicContact CD2-CD2 4.3Å; Y161-F177 HydrophobicContact CD2-CE2 4.24Å; Y161-F177 HydrophobicContact CE1-CB 4.47Å; Y161-F177 AromaticContact CE1-CD2 3.72Å; Y161-F177 HydrophobicContact CE1-CD2 3.72Å; Y161-F177 AromaticContact CE2-CD2 3.77Å; Y161-F177 HydrophobicContact CE2-CD2 3.77Å; Y161-F177 AromaticContact CE2-CE2 3.86Å; Y161-F177 HydrophobicContact CE2-CE2 3.86Å; Y161-F177 HydrophobicContact CG-CD2 4.5Å; Y161-F177 AromaticContact CZ-CD2 3.45Å; Y161-F177 VanDerWaalsContact CZ-CD2 3.45Å; Y161-F177 PolarHBondContact OH-N 2.87Å; Y161-F303 HydrophobicContact CD2-CE1 4.47Å
162	H	98.6	Very high	97.4	Very high	24 Å²	24	52.2 Å²	52.2	11%	0.111	26%	0.264	C	S	.	.	H	α-helix	trans	-56.1	-47	176.2	174.6	-91.2	0	0	0	112.1	L60 F65 N99 L158 F164 I165 V166	L60-H162 WeakPolarHBondContact CD1-NE2 3.37Å; F65-H162 HydrophobicContact CE1-CB 3.85Å; F65-H162 HydrophobicContact CZ-CB 4.1Å; N99-H162 PolarHBondContact OD1-NE2 3.16Å; L158-H162 WeakPolarHBondContact O-CB 3.42Å; L158-H162 PolarHBondContact O-N 2.57Å; H162-F164 VanDerWaalsContact C-N 3.35Å; H162-F164 PolarHBondContact O-N 3.13Å; H162-I165 PolarHBondContact O-N 2.83Å; H162-V166 WeakPolarHBondContact O-CG2 3.47Å; H162-V166 PolarHBondContact O-N 3.2Å
163	Q	98.3	Very high	97.5	Very high	103 Å²	103	49.9 Å²	49.9	48%	0.481	24%	0.244	S	C	.	.	H	α-helix	trans	-58.5	-45.2	175.9	-178.8	178.9	-10.8	0	0	112.1	K159 K160 Y161 I165 V166 E167	K159-Q163 PolarHBondContact O-N 2.83Å; K159-Q163 VanDerWaalsContact O-N 3.13Å; K160-Q163 PolarHBondContact O-N 2.93Å; Y161-Q163 VanDerWaalsContact C-N 3.33Å; Y161-Q163 PolarHBondContact O-N 2.97Å; Q163-I165 VanDerWaalsContact C-N 3.33Å; Q163-I165 PolarHBondContact O-N 3.1Å; Q163-V166 WeakPolarHBondContact O-CB 3.1Å; Q163-V166 PolarHBondContact O-N 3.27Å; Q163-V166 VanDerWaalsContact O-N 3.14Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.31Å; Q163-E167 PolarHBondContact NE2-OE1 2.81Å; Q163-E167 WeakPolarHBondContact O-CG 3.28Å; Q163-E167 PolarHBondContact O-N 3.28Å
164	F	98.6	Very high	97.7	Very high	23 Å²	23	48.8 Å²	48.8	10%	0.101	24%	0.239	C	C	.	.	H	α-helix	trans	-59.1	-43.7	176.5	-178.4	-102.2	0	0	0	111.9	K160 Y161 H162 V166 E167 C168 L174 D300 F303	K160-F164 WeakPolarHBondContact O-CB 3.36Å; K160-F164 PolarHBondContact O-N 3.01Å; Y161-F164 WeakPolarHBondContact O-CB 3.47Å; Y161-F164 PolarHBondContact O-N 2.94Å; Y161-F164 VanDerWaalsContact O-N 3.13Å; H162-F164 VanDerWaalsContact C-N 3.35Å; H162-F164 PolarHBondContact O-N 3.13Å; F164-V166 VanDerWaalsContact C-N 3.31Å; F164-V166 PolarHBondContact O-N 3.08Å; F164-E167 PolarHBondContact O-N 3.13Å; F164-C168 PolarHBondContact O-N 2.84Å; F164-C168 PolarHBondContact O-SG 3.3Å; F164-L174 HydrophobicContact CD1-CD1 4.01Å; F164-L174 HydrophobicContact CE1-CD1 3.71Å; F164-D300 VanDerWaalsContact CE1-OD1 3.29Å; F164-D300 WeakPolarHBondContact CE1-OD1 3.23Å; F164-D300 WeakPolarHBondContact CZ-OD1 3.13Å; F164-F303 HydrophobicContact CB-CD2 3.96Å; F164-F303 HydrophobicContact CB-CE2 3.7Å; F164-F303 HydrophobicContact CB-CG 4.49Å; F164-F303 HydrophobicContact CB-CZ 4.02Å; F164-F303 HydrophobicContact CD1-CD1 4.33Å; F164-F303 HydrophobicContact CD1-CG 4.39Å; F164-F303 HydrophobicContact CD2-CB 4Å; F164-F303 AromaticContact CD2-CD2 3.74Å; F164-F303 HydrophobicContact CD2-CD2 3.74Å; F164-F303 HydrophobicContact CD2-CE2 4.36Å; F164-F303 AromaticContact CD2-CG 3.85Å; F164-F303 HydrophobicContact CD2-CG 3.85Å; F164-F303 HydrophobicContact CE2-CB 3.8Å; F164-F303 HydrophobicContact CE2-CD2 4.41Å; F164-F303 HydrophobicContact CE2-CG 4.12Å; F164-F303 HydrophobicContact CG-CD1 4.31Å; F164-F303 AromaticContact CG-CD2 3.88Å; F164-F303 HydrophobicContact CG-CD2 3.88Å; F164-F303 HydrophobicContact CG-CE2 4.09Å; F164-F303 AromaticContact CG-CG 3.99Å; F164-F303 HydrophobicContact CG-CG 3.99Å; F164-F303 HydrophobicContact CG-CZ 4.39Å; F164-F303 HydrophobicContact CZ-CB 4.21Å
165	I	98.5	Very high	97.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-36.2	175.7	-63.3	-50.7	0	0	0	112.1	L100 R103 F104 Y161 H162 Q163 H169 G170 T172	L100-I165 HydrophobicContact CD2-CB 4.18Å; L100-I165 HydrophobicContact CD2-CG1 4.11Å; L100-I165 HydrophobicContact CD2-CG2 4.07Å; R103-I165 HydrophobicContact CB-CG2 4.04Å; F104-I165 HydrophobicContact CE1-CD1 3.87Å; F104-I165 HydrophobicContact CE1-CG1 4.29Å; F104-I165 HydrophobicContact CE1-CG2 3.75Å; F104-I165 HydrophobicContact CZ-CD1 3.73Å; F104-I165 HydrophobicContact CZ-CG1 3.85Å; F104-I165 HydrophobicContact CZ-CG2 3.82Å; Y161-I165 HydrophobicContact CD1-CG1 4.17Å; Y161-I165 HydrophobicContact CE1-CD1 4.41Å; Y161-I165 HydrophobicContact CE1-CG1 3.73Å; Y161-I165 HydrophobicContact CE2-CD1 4.05Å; Y161-I165 HydrophobicContact CE2-CG1 4.14Å; Y161-I165 WeakPolarHBondContact O-CG1 3.23Å; Y161-I165 PolarHBondContact O-N 3.47Å; H162-I165 PolarHBondContact O-N 2.83Å; Q163-I165 VanDerWaalsContact C-N 3.33Å; Q163-I165 PolarHBondContact O-N 3.1Å; I165-H169 WeakPolarHBondContact O-CA 3.49Å; I165-H169 PolarHBondContact O-N 3.1Å; I165-G170 PolarHBondContact O-N 3.24Å; I165-T172 HydrophobicContact CD1-CG2 3.64Å
166	V	97.6	Very high	97.8	Very high	49 Å²	49	47.1 Å²	47.1	30%	0.297	23%	0.233	S	C	.	.	H	α-helix	trans	-63.4	-48.3	174.1	178.3	0	0	0	0	110.7	H162 Q163 F164 H169	H162-V166 WeakPolarHBondContact O-CG2 3.47Å; H162-V166 PolarHBondContact O-N 3.2Å; Q163-V166 WeakPolarHBondContact O-CB 3.1Å; Q163-V166 PolarHBondContact O-N 3.27Å; Q163-V166 VanDerWaalsContact O-N 3.14Å; F164-V166 VanDerWaalsContact C-N 3.31Å; F164-V166 PolarHBondContact O-N 3.08Å; V166-H169 PolarHBondContact O-N 3.39Å
167	E	97.8	Very high	97.9	Very high	119 Å²	119	42.2 Å²	42.2	56%	0.556	21%	0.206	S	C	*	.	H	α-helix	trans	-67.9	-39.6	-176.5	-70.2	171.1	-171.1	0	0	112.4	Q163 F164 H169	Q163-E167 WeakPolarHBondContact CG-OE1 3.31Å; Q163-E167 PolarHBondContact NE2-OE1 2.81Å; Q163-E167 WeakPolarHBondContact O-CG 3.28Å; Q163-E167 PolarHBondContact O-N 3.28Å; F164-E167 PolarHBondContact O-N 3.13Å; E167-H169 VanDerWaalsContact C-N 3.32Å; E167-H169 PolarHBondContact O-CE1 2.99Å; E167-H169 PolarHBondContact O-ND1 2.92Å; E167-H169 VanDerWaalsContact O-ND1 3.15Å
168	C	97.1	Very high	98	Very high	27 Å²	27	42.1 Å²	42.1	18%	0.182	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.2	177.6	76.5	0	0	0	0	114	F164 G170 N171	F164-C168 PolarHBondContact O-N 2.84Å; F164-C168 PolarHBondContact O-SG 3.3Å; C168-G170 PolarHBondContact O-N 2.88Å; C168-N171 WeakPolarHBondContact O-CB 3.29Å; C168-N171 PolarHBondContact O-N 3.34Å
169	H	97	Very high	98	Very high	159 Å²	159	42 Å²	42	74%	0.736	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	39.1	-178.6	-52.9	76	0	0	0	112.9	I165 V166 E167 N171	I165-H169 WeakPolarHBondContact O-CA 3.49Å; I165-H169 PolarHBondContact O-N 3.1Å; V166-H169 PolarHBondContact O-N 3.39Å; E167-H169 VanDerWaalsContact C-N 3.32Å; E167-H169 PolarHBondContact O-CE1 2.99Å; E167-H169 PolarHBondContact O-ND1 2.92Å; E167-H169 VanDerWaalsContact O-ND1 3.15Å; H169-N171 PolarHBondContact O-N 3.09Å
170	G	95.6	Very high	98	Very high	9 Å²	9	36.3 Å²	36.3	9%	0.093	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	-1.9	-177.6	0	0	0	0	0	115.7	I165 C168 T172	I165-G170 PolarHBondContact O-N 3.24Å; C168-G170 PolarHBondContact O-N 2.88Å; G170-T172 PolarHBondContact O-N 3.03Å
171	N	95.5	Very high	98	Very high	93 Å²	93	30.8 Å²	30.8	50%	0.497	16%	0.156	S	C	.	.			trans	-87	89.6	-180	-171.3	13.6	0	0	0	111	C168 H169 K296	C168-N171 WeakPolarHBondContact O-CB 3.29Å; C168-N171 PolarHBondContact O-N 3.34Å; H169-N171 PolarHBondContact O-N 3.09Å; N171-K296 WeakPolarHBondContact OD1-CD 3Å
172	T	98.3	Very high	98	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.037	16%	0.163	C	C	.	.			trans	-147.9	153.5	-173.7	179	0	0	0	0	110.2	I165 G170 L174 D300	I165-T172 HydrophobicContact CD1-CG2 3.64Å; G170-T172 PolarHBondContact O-N 3.03Å; T172-L174 VanDerWaalsContact C-N 3.34Å; T172-L174 HydrophobicContact CG2-CB 4.35Å; T172-L174 WeakPolarHBondContact OG1-CB 3.49Å; T172-L174 WeakPolarHBondContact OG1-CG 3.03Å; T172-L174 PolarHBondContact OG1-N 3.41Å; T172-L174 VanDerWaalsContact OG1-N 3.08Å; T172-D300 VanDerWaalsContact OG1-CG 3.27Å; T172-D300 PolarHBondContact OG1-OD1 2.9Å; T172-D300 PolarHBondContact OG1-OD2 2.87Å
173	L	98.6	Very high	97.9	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.026	16%	0.157	C	C	.	.	S	Bend	trans	-87.2	-6.6	169.6	-57	175	0	0	0	112	F293 K296 L297 D300 V394	L173-F293 HydrophobicContact CD1-CD2 3.88Å; L173-F293 HydrophobicContact CD1-CE1 4.43Å; L173-F293 HydrophobicContact CD1-CE2 3.44Å; L173-F293 VanDerWaalsContact CD1-CE2 3.44Å; L173-F293 HydrophobicContact CD1-CZ 3.76Å; L173-F293 HydrophobicContact CD2-CD2 4.05Å; L173-F293 HydrophobicContact CD2-CE2 3.82Å; L173-F293 HydrophobicContact CG-CE2 4.3Å; L173-K296 HydrophobicContact CD1-CB 4.36Å; L173-K296 HydrophobicContact CG-CB 4.19Å; L173-L297 HydrophobicContact CD1-CB 3.87Å; L173-L297 HydrophobicContact CD1-CD1 3.85Å; L173-L297 HydrophobicContact CD1-CG 4.48Å; L173-D300 WeakPolarHBondContact CA-OD2 3.35Å; L173-D300 VanDerWaalsContact CB-OD2 3.25Å; L173-D300 WeakPolarHBondContact CB-OD2 3.21Å; L173-D300 PolarHBondContact N-OD2 2.76Å; L173-V394 HydrophobicContact CB-CG2 4.17Å; L173-V394 PolarHBondContact O-N 3.09Å
174	L	98.6	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-65.3	158.7	177	-61.3	-179.6	0	0	0	111.3	F164 T172 Q176 D300 F303 L304 Y376 V394 I397	F164-L174 HydrophobicContact CD1-CD1 4.01Å; F164-L174 HydrophobicContact CE1-CD1 3.71Å; T172-L174 VanDerWaalsContact C-N 3.34Å; T172-L174 HydrophobicContact CG2-CB 4.35Å; T172-L174 WeakPolarHBondContact OG1-CB 3.49Å; T172-L174 WeakPolarHBondContact OG1-CG 3.03Å; T172-L174 PolarHBondContact OG1-N 3.41Å; T172-L174 VanDerWaalsContact OG1-N 3.08Å; L174-Q176 PolarHBondContact O-N 3.18Å; L174-D300 HydrophobicContact CD2-CB 3.94Å; L174-D300 HydrophobicContact CG-CB 4Å; L174-F303 HydrophobicContact CD1-CD1 3.68Å; L174-F303 HydrophobicContact CD1-CE1 3.96Å; L174-L304 HydrophobicContact CD2-CD1 3.74Å; L174-L304 HydrophobicContact CD2-CD2 4.02Å; L174-L304 HydrophobicContact CD2-CG 3.94Å; L174-Y376 PolarHBondContact O-OH 3.49Å; L174-V394 HydrophobicContact CD2-CB 4.25Å; L174-V394 HydrophobicContact CD2-CG1 4.29Å; L174-I397 HydrophobicContact CD2-CG2 4.45Å
175	P	98.3	Very high	97.5	Very high	15 Å²	15	26.4 Å²	26.4	10%	0.097	14%	0.136	C	C	.	.			trans	-58.2	128.8	173.1	-21.1	33	0	0	0	110	Y161 F177 T195 V394 I397	Y161-P175 PolarHBondContact OH-O 3.13Å; P175-F177 HydrophobicContact CB-CD1 4.34Å; P175-F177 HydrophobicContact CB-CE1 3.8Å; P175-F177 HydrophobicContact CB-CE2 4.41Å; P175-F177 HydrophobicContact CB-CZ 3.83Å; P175-F177 HydrophobicContact CG-CE1 4.45Å; P175-F177 HydrophobicContact CG-CZ 4.15Å; P175-F177 PolarHBondContact O-N 3.42Å; P175-T195 HydrophobicContact CB-CG2 4.17Å; P175-V394 WeakPolarHBondContact CD-O 3.28Å; P175-V394 VanDerWaalsContact CG-O 3.32Å; P175-V394 WeakPolarHBondContact CG-O 3.13Å; P175-I397 HydrophobicContact CG-CD1 4.4Å; P175-I397 HydrophobicContact CG-CG1 4.27Å; P175-I397 HydrophobicContact CG-CG2 4.4Å
176	Q	98.4	Very high	96.9	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.033	17%	0.17	C	C	.	.			trans	-80.9	99.6	172	-67.5	-174.7	1.8	0	0	108.9	F104 Y161 L174 L178 T195 R196 Y376	F104-Q176 HydrophobicContact CD1-CB 4.22Å; F104-Q176 HydrophobicContact CD1-CG 3.64Å; F104-Q176 HydrophobicContact CD2-CB 3.78Å; F104-Q176 HydrophobicContact CD2-CG 4.14Å; F104-Q176 HydrophobicContact CE1-CB 4.12Å; F104-Q176 HydrophobicContact CE1-CG 3.51Å; F104-Q176 HydrophobicContact CE2-CB 3.66Å; F104-Q176 HydrophobicContact CE2-CG 4.02Å; F104-Q176 HydrophobicContact CG-CB 4.07Å; F104-Q176 HydrophobicContact CG-CG 3.97Å; F104-Q176 HydrophobicContact CZ-CB 3.84Å; F104-Q176 HydrophobicContact CZ-CG 3.71Å; Y161-Q176 WeakPolarHBondContact OH-CA 3.47Å; L174-Q176 PolarHBondContact O-N 3.18Å; Q176-L178 HydrophobicContact CB-CD2 4.38Å; Q176-L178 WeakPolarHBondContact O-CG 3.37Å; Q176-T195 WeakPolarHBondContact O-CA 3.02Å; Q176-R196 HydrophobicContact CB-CB 4.05Å; Q176-R196 PolarHBondContact O-N 2.96Å; Q176-Y376 WeakPolarHBondContact CG-OH 3.23Å
177	F	98.6	Very high	96.4	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.8	-179	-56.9	-67	0	0	0	111.3	F97 M154 Y161 P175 I193 T195 I397	F97-F177 HydrophobicContact CE1-CB 3.89Å; M154-F177 HydrophobicContact CE-CB 4.46Å; M154-F177 HydrophobicContact CE-CD1 3.6Å; M154-F177 HydrophobicContact CE-CD2 3.43Å; M154-F177 VanDerWaalsContact CE-CD2 3.43Å; M154-F177 HydrophobicContact CE-CE1 3.5Å; M154-F177 HydrophobicContact CE-CE2 3.33Å; M154-F177 HydrophobicContact CE-CG 3.58Å; M154-F177 HydrophobicContact CE-CZ 3.37Å; M154-F177 HydrophobicContact SD-CD2 4.28Å; M154-F177 HydrophobicContact SD-CE2 4.39Å; Y161-F177 HydrophobicContact CD1-CD2 4.23Å; Y161-F177 HydrophobicContact CD2-CD2 4.3Å; Y161-F177 HydrophobicContact CD2-CE2 4.24Å; Y161-F177 HydrophobicContact CE1-CB 4.47Å; Y161-F177 AromaticContact CE1-CD2 3.72Å; Y161-F177 HydrophobicContact CE1-CD2 3.72Å; Y161-F177 AromaticContact CE2-CD2 3.77Å; Y161-F177 HydrophobicContact CE2-CD2 3.77Å; Y161-F177 AromaticContact CE2-CE2 3.86Å; Y161-F177 HydrophobicContact CE2-CE2 3.86Å; Y161-F177 HydrophobicContact CG-CD2 4.5Å; Y161-F177 AromaticContact CZ-CD2 3.45Å; Y161-F177 VanDerWaalsContact CZ-CD2 3.45Å; Y161-F177 PolarHBondContact OH-N 2.87Å; P175-F177 HydrophobicContact CB-CD1 4.34Å; P175-F177 HydrophobicContact CB-CE1 3.8Å; P175-F177 HydrophobicContact CB-CE2 4.41Å; P175-F177 HydrophobicContact CB-CZ 3.83Å; P175-F177 HydrophobicContact CG-CE1 4.45Å; P175-F177 HydrophobicContact CG-CZ 4.15Å; P175-F177 PolarHBondContact O-N 3.42Å; F177-I193 HydrophobicContact CB-CD1 4.5Å; F177-I193 HydrophobicContact CD1-CD1 3.33Å; F177-I193 HydrophobicContact CD1-CG1 3.94Å; F177-I193 HydrophobicContact CE1-CD1 3.72Å; F177-I193 HydrophobicContact CG-CD1 4.09Å; F177-T195 HydrophobicContact CD1-CG2 3.57Å; F177-T195 HydrophobicContact CE1-CG2 3.95Å; F177-I397 HydrophobicContact CE2-CD1 3.91Å; F177-I397 HydrophobicContact CE2-CG1 4.46Å; F177-I397 HydrophobicContact CZ-CD1 3.89Å; F177-I397 HydrophobicContact CZ-CG1 3.95Å
178	L	98.7	Very high	96.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-17	-168.4	-51.4	179.9	0	0	0	113.6	R101 F104 I106 F111 Y141 Q176 V194	R101-L178 HydrophobicContact CG-CB 4.04Å; R101-L178 HydrophobicContact CG-CD2 4.04Å; F104-L178 HydrophobicContact CD2-CD2 3.74Å; F104-L178 HydrophobicContact CE2-CD2 4.39Å; I106-L178 HydrophobicContact CD1-CD1 3.68Å; I106-L178 HydrophobicContact CD1-CD2 3.44Å; I106-L178 VanDerWaalsContact CD1-CD2 3.44Å; I106-L178 HydrophobicContact CD1-CG 4.2Å; F111-L178 HydrophobicContact CD2-CB 4.38Å; F111-L178 HydrophobicContact CD2-CD1 4.2Å; F111-L178 HydrophobicContact CE2-CB 3.58Å; F111-L178 HydrophobicContact CE2-CD1 3.86Å; F111-L178 HydrophobicContact CE2-CG 4.38Å; F111-L178 HydrophobicContact CZ-CB 4.03Å; Y141-L178 HydrophobicContact CD1-CD1 3.32Å; Y141-L178 HydrophobicContact CE1-CD1 3.39Å; Y141-L178 HydrophobicContact CG-CD1 4.39Å; Q176-L178 HydrophobicContact CB-CD2 4.38Å; Q176-L178 WeakPolarHBondContact O-CG 3.37Å; L178-V194 HydrophobicContact CB-CG1 4.39Å; L178-V194 PolarHBondContact N-O 2.94Å
179	G	98.6	Very high	96	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	148.9	176.6	0	0	0	0	0	111.3	I193 V194	G179-I193 WeakPolarHBondContact O-CA 3.39Å; G179-I193 WeakPolarHBondContact O-CG1 3.14Å; G179-V194 PolarHBondContact O-N 2.97Å
180	M	98.7	Very high	95.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128	177.8	-175.5	172.7	69.7	0	0	109.5	Y92 F97 I146 V151 M154 M192 I193	Y92-M180 VanDerWaalsContact CB-CE 3.43Å; Y92-M180 HydrophobicContact CD1-CE 4.2Å; Y92-M180 HydrophobicContact CD2-CE 4.06Å; Y92-M180 HydrophobicContact CD2-CG 4.07Å; Y92-M180 WeakPolarHBondContact CD2-O 3.35Å; Y92-M180 HydrophobicContact CG-CE 3.66Å; Y92-M180 PolarHBondContact N-O 3.06Å; F97-M180 HydrophobicContact CE2-CB 3.72Å; F97-M180 HydrophobicContact CZ-CB 3.69Å; I146-M180 HydrophobicContact CD1-SD 4.44Å; V151-M180 HydrophobicContact CB-SD 4.36Å; V151-M180 HydrophobicContact CG1-CE 3.96Å; V151-M180 HydrophobicContact CG1-SD 4.07Å; V151-M180 HydrophobicContact CG2-SD 4.12Å; M154-M180 HydrophobicContact CB-CE 4.49Å; M154-M180 HydrophobicContact CB-SD 3.9Å; M154-M180 HydrophobicContact CG-CE 4.1Å; M154-M180 HydrophobicContact CG-SD 3.65Å; M180-M192 WeakPolarHBondContact CA-O 3Å; M180-I193 HydrophobicContact CB-CG1 4.46Å
181	Y	98.6	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.9	-168.4	-47.2	-70.8	0	0	0	111.8	L40 I44 F89 K90 E91 Y191 M192 V194	L40-Y181 HydrophobicContact CD1-CD2 4.07Å; I44-Y181 HydrophobicContact CD1-CE2 4.11Å; I44-Y181 HydrophobicContact CG1-CE1 4.39Å; I44-Y181 HydrophobicContact CG1-CE2 4.07Å; F89-Y181 HydrophobicContact CE1-CD1 4.16Å; F89-Y181 AromaticContact CE2-CD1 3.98Å; F89-Y181 HydrophobicContact CE2-CD1 3.98Å; F89-Y181 HydrophobicContact CE2-CG 4.17Å; F89-Y181 AromaticContact CZ-CD1 3.35Å; F89-Y181 HydrophobicContact CZ-CD1 3.35Å; F89-Y181 AromaticContact CZ-CE1 3.84Å; F89-Y181 HydrophobicContact CZ-CE1 3.84Å; F89-Y181 AromaticContact CZ-CG 4Å; F89-Y181 HydrophobicContact CZ-CG 4Å; K90-Y181 CarbonylContact O-C 3.59Å; K90-Y181 VanDerWaalsContact O-CA 3.24Å; K90-Y181 WeakPolarHBondContact O-CA 3.49Å; E91-Y181 HydrophobicContact CB-CD1 4.02Å; E91-Y181 HydrophobicContact CB-CE1 4.23Å; E91-Y181 HydrophobicContact CG-CD1 3.97Å; E91-Y181 HydrophobicContact CG-CE1 3.77Å; Y181-Y191 WeakPolarHBondContact O-CA 3.42Å; Y181-M192 PolarHBondContact N-O 3.44Å; Y181-M192 PolarHBondContact O-N 3.32Å; Y181-V194 HydrophobicContact CD2-CG2 4.25Å; Y181-V194 HydrophobicContact CE2-CG2 3.68Å
182	R	98.4	Very high	96.1	Very high	35 Å²	35	26.7 Å²	26.7	13%	0.132	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.3	164.5	178.1	-177.2	72.1	160.7	2.8	109.6	K90 Y92 E189 T190 Y191	K90-R182 HydrophobicContact CB-CB 4.25Å; K90-R182 PolarHBondContact N-O 3.22Å; K90-R182 PolarHBondContact O-N 3.21Å; Y92-R182 HydrophobicContact CE2-CB 3.73Å; R182-E189 IonicContact CZ-OE1 3.96Å; R182-E189 IonicContact CZ-OE2 2.79Å; R182-E189 IonicContact NE-OE1 3.07Å; R182-E189 VanDerWaalsContact NH1-CD 3.28Å; R182-E189 IonicContact NH1-OE1 3.09Å; R182-E189 PolarHBondContact NH1-OE1 3.14Å; R182-E189 IonicContact NH1-OE2 3.78Å; R182-E189 PolarHBondContact NH1-OE2 3.12Å; R182-E189 VanDerWaalsContact NH1-OE2 3.09Å; R182-E189 IonicContact NH2-OE1 3.4Å; R182-T190 WeakPolarHBondContact CA-O 3.3Å; R182-Y191 HydrophobicContact CB-CD1 3.85Å; R182-Y191 HydrophobicContact CB-CE1 4.04Å; R182-Y191 HydrophobicContact CG-CD1 3.9Å; R182-Y191 HydrophobicContact CG-CE1 3.76Å
183	L	97.1	Very high	96.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137	174.9	-44.9	179	0	0	0	108	L36 V39 L40 K88 F89 E189 T190 M192	L36-L183 HydrophobicContact CD2-CB 4.05Å; L36-L183 HydrophobicContact CD2-CD1 4.08Å; V39-L183 HydrophobicContact CG1-CD2 4.2Å; L40-L183 HydrophobicContact CB-CD1 3.93Å; L40-L183 HydrophobicContact CD1-CD1 4.32Å; L40-L183 HydrophobicContact CD1-CD2 4.31Å; K88-L183 WeakPolarHBondContact O-CA 3.41Å; F89-L183 HydrophobicContact CD2-CD2 3.37Å; F89-L183 HydrophobicContact CE2-CD2 3.7Å; L183-E189 CarbonylContact O-C 3.49Å; L183-E189 WeakPolarHBondContact O-CA 3.5Å; L183-T190 PolarHBondContact N-O 3.49Å; L183-T190 PolarHBondContact O-N 2.86Å; L183-M192 HydrophobicContact CD1-CE 3.82Å; L183-M192 HydrophobicContact CD1-SD 3.68Å
184	T	95.7	Very high	96.1	Very high	11 Å²	11	26.3 Å²	26.3	7%	0.067	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.5	167.4	-47.1	0	0	0	0	108.3	F87 K88 D188 E189	F87-T184 CarbonylContact C-O 3.6Å; F87-T184 WeakPolarHBondContact CA-O 3.36Å; F87-T184 WeakPolarHBondContact CB-O 3.17Å; K88-T184 HydrophobicContact CD-CG2 4.41Å; K88-T184 PolarHBondContact N-O 2.68Å; K88-T184 PolarHBondContact O-N 2.75Å; T184-D188 VanDerWaalsContact CA-O 3.27Å; T184-D188 WeakPolarHBondContact CA-O 3.31Å; T184-E189 HydrophobicContact CG2-CG 4.16Å
185	V	91.6	Very high	96.1	Very high	11 Å²	11	26.8 Å²	26.8	7%	0.067	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.4	178.6	-176.4	0	0	0	0	107.3	P35 L36 V39 P84 F87 G187 D188	P35-V185 HydrophobicContact CB-CG1 4.38Å; L36-V185 HydrophobicContact CD2-CB 4.27Å; L36-V185 HydrophobicContact CD2-CG2 3.83Å; L36-V185 HydrophobicContact CG-CG2 4.48Å; V39-V185 HydrophobicContact CB-CG2 4.21Å; V39-V185 HydrophobicContact CG1-CG2 4.38Å; V39-V185 HydrophobicContact CG2-CG2 3.87Å; P84-V185 HydrophobicContact CB-CG1 4.12Å; P84-V185 HydrophobicContact CG-CG1 3.81Å; F87-V185 HydrophobicContact CB-CG2 4.28Å; V185-G187 PolarHBondContact O-N 2.63Å; V185-D188 PolarHBondContact N-O 3.31Å; V185-D188 VanDerWaalsContact N-O 3.1Å; V185-D188 PolarHBondContact O-N 2.82Å
186	D	86.7	Confident	96.1	Very high	135 Å²	135	26.9 Å²	26.9	72%	0.722	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	22.8	-179.6	-57.7	-35.4	0	0	0	115.7
187	G	86.3	Confident	95.9	Very high	61 Å²	61	27.8 Å²	27.8	63%	0.629	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.1	-17.8	-179.7	0	0	0	0	0	114.2	V185	V185-G187 PolarHBondContact O-N 2.63Å
188	D	91.8	Very high	95.8	Very high	122 Å²	122	28.1 Å²	28.1	65%	0.652	16%	0.158	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.7	-179.5	-68.3	-33.7	0	0	0	111.4	T184 V185	T184-D188 VanDerWaalsContact CA-O 3.27Å; T184-D188 WeakPolarHBondContact CA-O 3.31Å; V185-D188 PolarHBondContact N-O 3.31Å; V185-D188 VanDerWaalsContact N-O 3.1Å; V185-D188 PolarHBondContact O-N 2.82Å
189	E	95.4	Very high	95.6	Very high	89 Å²	89	30 Å²	30	42%	0.416	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.8	176.4	-62.2	-165	151.9	0	0	110.6	R182 L183 T184 Y191	R182-E189 IonicContact CZ-OE1 3.96Å; R182-E189 IonicContact CZ-OE2 2.79Å; R182-E189 IonicContact NE-OE1 3.07Å; R182-E189 VanDerWaalsContact NH1-CD 3.28Å; R182-E189 IonicContact NH1-OE1 3.09Å; R182-E189 PolarHBondContact NH1-OE1 3.14Å; R182-E189 IonicContact NH1-OE2 3.78Å; R182-E189 PolarHBondContact NH1-OE2 3.12Å; R182-E189 VanDerWaalsContact NH1-OE2 3.09Å; R182-E189 IonicContact NH2-OE1 3.4Å; L183-E189 CarbonylContact O-C 3.49Å; L183-E189 WeakPolarHBondContact O-CA 3.5Å; T184-E189 HydrophobicContact CG2-CG 4.16Å; E189-Y191 HydrophobicContact CB-CE2 4.33Å; E189-Y191 PolarHBondContact OE2-OH 3.12Å
190	T	95.6	Very high	95.2	Very high	17 Å²	17	30.3 Å²	30.3	10%	0.104	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.5	173.1	-59.6	0	0	0	0	109.6	T145 R182 L183 M192	T145-T190 HydrophobicContact CG2-CG2 3.88Å; R182-T190 WeakPolarHBondContact CA-O 3.3Å; L183-T190 PolarHBondContact N-O 3.49Å; L183-T190 PolarHBondContact O-N 2.86Å; T190-M192 HydrophobicContact CG2-CE 3.77Å; T190-M192 HydrophobicContact CG2-CG 4.22Å
191	Y	97.3	Very high	94.6	Very high	37 Å²	37	32.5 Å²	32.5	15%	0.145	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.7	177.9	-55.4	-95.1	0	0	0	109.6	T145 I146 V151 Y181 R182 E189	T145-Y191 WeakPolarHBondContact CA-O 3.38Å; I146-Y191 PolarHBondContact N-O 2.86Å; I146-Y191 WeakPolarHBondContact O-CB 3.37Å; V151-Y191 HydrophobicContact CB-CD1 4.49Å; V151-Y191 HydrophobicContact CG2-CD1 3.64Å; V151-Y191 HydrophobicContact CG2-CE1 4.44Å; V151-Y191 HydrophobicContact CG2-CG 3.96Å; Y181-Y191 WeakPolarHBondContact O-CA 3.42Å; R182-Y191 HydrophobicContact CB-CD1 3.85Å; R182-Y191 HydrophobicContact CB-CE1 4.04Å; R182-Y191 HydrophobicContact CG-CD1 3.9Å; R182-Y191 HydrophobicContact CG-CE1 3.76Å; E189-Y191 HydrophobicContact CB-CE2 4.33Å; E189-Y191 PolarHBondContact OE2-OH 3.12Å
192	M	97.6	Very high	94.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.2	-177.2	-64.9	-176.8	176.6	0	0	110.6	L40 I143 K144 M180 Y181 L183 T190	L40-M192 HydrophobicContact CD1-SD 4.03Å; L40-M192 HydrophobicContact CD2-SD 3.85Å; L40-M192 HydrophobicContact CG-SD 4.4Å; I143-M192 HydrophobicContact CG2-CB 4.07Å; I143-M192 HydrophobicContact CG2-CG 4.3Å; I143-M192 HydrophobicContact CG2-SD 3.9Å; K144-M192 CarbonylContact O-C 3.47Å; K144-M192 VanDerWaalsContact O-CA 3.28Å; K144-M192 WeakPolarHBondContact O-CA 3.49Å; M180-M192 WeakPolarHBondContact CA-O 3Å; Y181-M192 PolarHBondContact N-O 3.44Å; Y181-M192 PolarHBondContact O-N 3.32Å; L183-M192 HydrophobicContact CD1-CE 3.82Å; L183-M192 HydrophobicContact CD1-SD 3.68Å; T190-M192 HydrophobicContact CG2-CE 3.77Å; T190-M192 HydrophobicContact CG2-CG 4.22Å
193	I	98.1	Very high	93.7	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.1	171.3	-164.4	164.2	0	0	0	109.7	I143 K144 I146 M154 F177 G179 M180	I143-I193 WeakPolarHBondContact CA-O 3.01Å; K144-I193 HydrophobicContact CB-CG2 3.99Å; K144-I193 PolarHBondContact N-O 2.96Å; K144-I193 PolarHBondContact O-N 3.11Å; I146-I193 HydrophobicContact CD1-CB 4.01Å; I146-I193 HydrophobicContact CD1-CG2 4.23Å; I146-I193 HydrophobicContact CG2-CG2 3.68Å; M154-I193 HydrophobicContact CE-CD1 3.34Å; F177-I193 HydrophobicContact CB-CD1 4.5Å; F177-I193 HydrophobicContact CD1-CD1 3.33Å; F177-I193 HydrophobicContact CD1-CG1 3.94Å; F177-I193 HydrophobicContact CE1-CD1 3.72Å; F177-I193 HydrophobicContact CG-CD1 4.09Å; G179-I193 WeakPolarHBondContact O-CA 3.39Å; G179-I193 WeakPolarHBondContact O-CG1 3.14Å; M180-I193 HydrophobicContact CB-CG1 4.46Å
194	V	98.5	Very high	93.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.9	179	-175.9	0	0	0	0	109.4	F111 L115 V142 I143 L178 G179 Y181	F111-V194 HydrophobicContact CE2-CB 4.49Å; F111-V194 HydrophobicContact CE2-CG1 3.73Å; F111-V194 HydrophobicContact CZ-CB 4.29Å; F111-V194 HydrophobicContact CZ-CG1 3.95Å; L115-V194 HydrophobicContact CD1-CG1 4.07Å; L115-V194 HydrophobicContact CD2-CG1 4.46Å; V142-V194 WeakPolarHBondContact O-CA 3.37Å; I143-V194 HydrophobicContact CG1-CG2 3.99Å; I143-V194 HydrophobicContact CG2-CG2 4.47Å; L178-V194 HydrophobicContact CB-CG1 4.39Å; L178-V194 PolarHBondContact N-O 2.94Å; G179-V194 PolarHBondContact O-N 2.97Å; Y181-V194 HydrophobicContact CD2-CG2 4.25Å; Y181-V194 HydrophobicContact CE2-CG2 3.68Å
195	T	98.2	Very high	93	Very high	10 Å²	10	41.1 Å²	41.1	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	159.5	175	64.6	0	0	0	0	111.2	Y141 V142 P175 Q176 F177	Y141-T195 CarbonylContact C-O 3.52Å; Y141-T195 WeakPolarHBondContact CA-O 3.37Å; V142-T195 PolarHBondContact N-O 2.76Å; V142-T195 PolarHBondContact O-N 3Å; P175-T195 HydrophobicContact CB-CG2 4.17Å; Q176-T195 WeakPolarHBondContact O-CA 3.02Å; F177-T195 HydrophobicContact CD1-CG2 3.57Å; F177-T195 HydrophobicContact CE1-CG2 3.95Å
196	R	97.6	Very high	92.8	Very high	18 Å²	18	42.5 Å²	42.5	7%	0.068	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	143.3	162.9	-169.7	-178.8	-73	-98.1	4.2	109.8	F104 Q176 I373	F104-R196 PolarHBondContact O-NH2 2.95Å; Q176-R196 HydrophobicContact CB-CB 4.05Å; Q176-R196 PolarHBondContact O-N 2.96Å; R196-I373 PolarHBondContact NH1-O 3.21Å
197	N	95.3	Very high	93	Very high	25 Å²	25	37.9 Å²	37.9	13%	0.134	20%	0.201	C	C	.	.			trans	-69.1	138.8	171	-165.9	-3.8	0	0	0	110	K139 R140 V142 F199	K139-N197 VanDerWaalsContact O-CB 3.31Å; K139-N197 WeakPolarHBondContact O-CB 3.23Å; K139-N197 PolarHBondContact O-ND2 3.37Å; R140-N197 WeakPolarHBondContact O-CB 3.37Å; R140-N197 PolarHBondContact O-N 3.31Å; V142-N197 HydrophobicContact CG2-CB 3.99Å; N197-F199 PolarHBondContact OD1-N 2.65Å; N197-F199 VanDerWaalsContact OD1-N 3.16Å
198	V	96.3	Very high	93.3	Very high	16 Å²	16	36.2 Å²	36.2	10%	0.097	18%	0.176	C	C	.	.	S	Bend	trans	-73.2	-37.7	175.9	176.8	0	0	0	0	110.3	L315 Y376 F391 A393 I395	V198-L315 HydrophobicContact CB-CD2 4.1Å; V198-L315 HydrophobicContact CG1-CD2 4.33Å; V198-L315 HydrophobicContact CG2-CD2 4.13Å; V198-Y376 HydrophobicContact CB-CD2 4.46Å; V198-Y376 HydrophobicContact CG1-CD2 4.47Å; V198-F391 HydrophobicContact CG1-CB 4.45Å; V198-A393 HydrophobicContact CB-CB 4.2Å; V198-A393 HydrophobicContact CG1-CB 3.59Å; V198-A393 HydrophobicContact CG2-CB 3.57Å; V198-I395 HydrophobicContact CG2-CG2 4.29Å
199	F	94.9	Very high	93.4	Very high	38 Å²	38	30.4 Å²	30.4	17%	0.167	15%	0.145	C	C	.	.	S	Bend	trans	-86.9	153.5	-177.9	-52.2	-38.9	0	0	0	111.3	N197 V205 K208 L315 F391	N197-F199 PolarHBondContact OD1-N 2.65Å; N197-F199 VanDerWaalsContact OD1-N 3.16Å; F199-V205 HydrophobicContact CB-CG2 3.97Å; F199-V205 HydrophobicContact CD1-CG2 3.93Å; F199-V205 HydrophobicContact CG-CG2 3.89Å; F199-K208 HydrophobicContact CE2-CD 3.64Å; F199-K208 HydrophobicContact CE2-CG 4.22Å; F199-K208 HydrophobicContact CZ-CD 3.85Å; F199-K208 HydrophobicContact CZ-CG 3.97Å; F199-L315 HydrophobicContact CE1-CD2 4.03Å; F199-L315 HydrophobicContact CE1-CG 3.95Å; F199-L315 HydrophobicContact CE2-CD2 4.16Å; F199-L315 HydrophobicContact CZ-CD1 3.92Å; F199-L315 HydrophobicContact CZ-CD2 3.58Å; F199-L315 HydrophobicContact CZ-CG 3.65Å; F199-F391 HydrophobicContact CD1-CB 3.84Å; F199-F391 HydrophobicContact CD1-CG 4.43Å
200	S	90.4	Very high	93.3	Very high	8 Å²	8	27.2 Å²	27.2	6%	0.056	13%	0.131	C	C	.	.			trans	-59.7	147.1	176.1	179.6	0	0	0	0	111.5	R202 L203 D374 F391	S200-R202 VanDerWaalsContact C-N 3.26Å; S200-R202 PolarHBondContact OG-N 3.37Å; S200-L203 PolarHBondContact OG-N 3.08Å; S200-D374 WeakPolarHBondContact CA-OD1 3.49Å; S200-D374 VanDerWaalsContact CB-OD2 3.29Å; S200-D374 WeakPolarHBondContact CB-OD2 3.42Å; S200-D374 VanDerWaalsContact OG-CG 3.27Å; S200-D374 PolarHBondContact OG-OD1 2.74Å; S200-D374 PolarHBondContact OG-OD2 2.83Å; S200-F391 VanDerWaalsContact CB-CE1 3.45Å
201	H	86.3	Confident	93.3	Very high	46 Å²	46	26.4 Å²	26.4	21%	0.213	13%	0.126	C	C	.	.	S	Bend	trans	-72.3	-20.6	168.9	67.9	-67.2	0	0	0	113.2	D138 K139 R140 D374	D138-H201 WeakPolarHBondContact O-CB 3.4Å; K139-H201 HydrophobicContact CB-CB 4.17Å; R140-H201 HydrophobicContact CG-CB 4.33Å; H201-D374 IonicContact CE1-OD1 2.69Å; H201-D374 IonicContact ND1-OD1 3.82Å; H201-D374 PolarHBondContact ND1-OD1 2.94Å; H201-D374 IonicContact ND1-OD2 2.86Å
202	R	88.6	Confident	93	Very high	126 Å²	126	26.4 Å²	26.4	48%	0.475	13%	0.127	S	C	.	.	S	Bend	trans	-111.7	-48.4	-177.6	-72.7	178.7	69.8	-114.3	-2.4	113.3	S200 S204 L364	S200-R202 VanDerWaalsContact C-N 3.26Å; S200-R202 PolarHBondContact OG-N 3.37Å; R202-S204 PolarHBondContact O-N 2.93Å; R202-L364 VanDerWaalsContact NH1-CD1 3.29Å
203	L	89.2	Confident	92.5	Very high	17 Å²	17	26.7 Å²	26.7	9%	0.089	13%	0.13	C	C	.	.	S	Bend	trans	-79.6	116.6	-173.3	-57.2	-176	0	0	0	110.5	S200 V205 H319 F369 V389 F391	S200-L203 PolarHBondContact OG-N 3.08Å; L203-V205 PolarHBondContact O-N 3.25Å; L203-H319 HydrophobicContact CB-CB 4.37Å; L203-F369 HydrophobicContact CD1-CB 4.03Å; L203-F369 HydrophobicContact CD1-CD1 4.13Å; L203-V389 HydrophobicContact CD1-CB 4.3Å; L203-V389 HydrophobicContact CD1-CG1 4.25Å; L203-V389 HydrophobicContact CD1-CG2 4.12Å; L203-F391 HydrophobicContact CB-CE2 4.35Å; L203-F391 HydrophobicContact CB-CZ 4Å; L203-F391 HydrophobicContact CD1-CZ 4.11Å
204	S	88.2	Confident	91.6	Very high	62 Å²	62	27.4 Å²	27.4	43%	0.434	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-67.8	122.9	-179	56.6	0	0	0	0	111	R202 H319	R202-S204 PolarHBondContact O-N 2.93Å; S204-H319 PolarHBondContact N-ND1 3.22Å; S204-H319 WeakPolarHBondContact O-CB 3.47Å; S204-H319 PolarHBondContact O-ND1 3.41Å
205	V	89.8	Confident	90.1	Very high	22 Å²	22	30.6 Å²	30.6	13%	0.133	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-78.3	129.5	171.3	172.1	0	0	0	0	107.7	F199 L203 K207 K208 L268 I318 F391	F199-V205 HydrophobicContact CB-CG2 3.97Å; F199-V205 HydrophobicContact CD1-CG2 3.93Å; F199-V205 HydrophobicContact CG-CG2 3.89Å; L203-V205 PolarHBondContact O-N 3.25Å; V205-K207 WeakPolarHBondContact CG1-O 3.43Å; V205-K208 HydrophobicContact CG1-CD 4.47Å; V205-K208 HydrophobicContact CG1-CG 3.61Å; V205-L268 WeakPolarHBondContact O-CD1 3.25Å; V205-I318 CarbonylContact C-O 3.54Å; V205-I318 WeakPolarHBondContact CA-O 3.3Å; V205-F391 HydrophobicContact CG2-CD2 3.97Å; V205-F391 HydrophobicContact CG2-CE2 4.31Å
206	Y	86.6	Confident	88.8	Confident	40 Å²	40	34.2 Å²	34.2	16%	0.157	18%	0.176	C	C	.	.			trans	-102.6	-18.2	175.5	83.3	-83.8	0	0	0	112.7	I318 D320 E388	Y206-I318 HydrophobicContact CD1-CB 4.46Å; Y206-I318 WeakPolarHBondContact CD1-O 3.13Å; Y206-I318 HydrophobicContact CE1-CB 3.84Å; Y206-I318 HydrophobicContact CE1-CG2 3.59Å; Y206-I318 PolarHBondContact N-O 3.28Å; Y206-D320 HydrophobicContact CD1-CB 3.65Å; Y206-D320 HydrophobicContact CE1-CB 3.5Å; Y206-D320 VanDerWaalsContact CE1-CB 3.5Å; Y206-E388 PolarHBondContact OH-OE1 2.82Å
207	K	90.8	Very high	87.2	Confident	38 Å²	38	36.5 Å²	36.5	17%	0.165	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.4	-179.6	-142.5	170.6	-163.9	-166	0	111	V205 Y209 Y271 D279 G317 I318	V205-K207 WeakPolarHBondContact CG1-O 3.43Å; K207-Y209 HydrophobicContact CB-CE2 4.36Å; K207-Y209 HydrophobicContact CD-CE2 3.83Å; K207-Y209 VanDerWaalsContact CD-OH 3.28Å; K207-Y209 WeakPolarHBondContact CD-OH 3.33Å; K207-Y209 WeakPolarHBondContact CE-OH 3.35Å; K207-Y209 HydrophobicContact CG-CE2 3.78Å; K207-Y209 PolarHBondContact NZ-OH 2.94Å; K207-Y271 HydrophobicContact CG-CD2 4.28Å; K207-Y271 HydrophobicContact CG-CE2 4.25Å; K207-D279 IonicContact NZ-OD2 3.61Å; K207-D279 PolarHBondContact NZ-OD2 2.92Å; K207-G317 WeakPolarHBondContact O-CA 3.43Å; K207-I318 HydrophobicContact CB-CB 4.25Å; K207-I318 HydrophobicContact CB-CD1 4.39Å; K207-I318 HydrophobicContact CB-CG1 4.42Å; K207-I318 PolarHBondContact N-O 3.04Å; K207-I318 PolarHBondContact O-N 2.93Å
208	K	92.6	Very high	86.4	Confident	26 Å²	26	36.5 Å²	36.5	11%	0.113	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.3	179.7	-65.2	-177.6	-53.9	-169.1	0	111.4	F199 V205 L268 Y271 V316	F199-K208 HydrophobicContact CE2-CD 3.64Å; F199-K208 HydrophobicContact CE2-CG 4.22Å; F199-K208 HydrophobicContact CZ-CD 3.85Å; F199-K208 HydrophobicContact CZ-CG 3.97Å; V205-K208 HydrophobicContact CG1-CD 4.47Å; V205-K208 HydrophobicContact CG1-CG 3.61Å; K208-L268 WeakPolarHBondContact CE-O 3.33Å; K208-L268 PolarHBondContact NZ-O 3.02Å; K208-Y271 WeakPolarHBondContact O-CB 3.4Å; K208-Y271 WeakPolarHBondContact O-CD2 3.3Å; K208-Y271 PolarHBondContact O-N 3.3Å; K208-V316 CarbonylContact C-O 3.38Å; K208-V316 VanDerWaalsContact CA-O 3.29Å; K208-V316 WeakPolarHBondContact CA-O 3.31Å
209	Y	93.9	Very high	85.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.9	173.8	-60.8	-94.2	0	0	0	111.6	K207 Y271 F276 Q281 L315 V316 I318	K207-Y209 HydrophobicContact CB-CE2 4.36Å; K207-Y209 HydrophobicContact CD-CE2 3.83Å; K207-Y209 VanDerWaalsContact CD-OH 3.28Å; K207-Y209 WeakPolarHBondContact CD-OH 3.33Å; K207-Y209 WeakPolarHBondContact CE-OH 3.35Å; K207-Y209 HydrophobicContact CG-CE2 3.78Å; K207-Y209 PolarHBondContact NZ-OH 2.94Å; Y209-Y271 CarbonylContact C-O 3.55Å; Y209-Y271 VanDerWaalsContact CA-O 3.24Å; Y209-Y271 WeakPolarHBondContact CA-O 3.31Å; Y209-Y271 HydrophobicContact CD1-CG 4.39Å; Y209-Y271 VanDerWaalsContact CE1-CB 3.42Å; Y209-Y271 HydrophobicContact CE1-CD2 4.36Å; Y209-Y271 HydrophobicContact CE1-CG 4.1Å; Y209-F276 HydrophobicContact CD1-CB 3.79Å; Y209-F276 AromaticContact CD1-CD2 3.63Å; Y209-F276 HydrophobicContact CD1-CD2 3.63Å; Y209-F276 HydrophobicContact CD1-CG 4.21Å; Y209-F276 HydrophobicContact CD2-CD2 4Å; Y209-F276 HydrophobicContact CD2-CE2 4.42Å; Y209-F276 HydrophobicContact CE1-CB 3.8Å; Y209-F276 AromaticContact CE1-CD2 3.75Å; Y209-F276 HydrophobicContact CE1-CD2 3.75Å; Y209-F276 HydrophobicContact CE1-CG 4.21Å; Y209-F276 HydrophobicContact CE2-CD2 4.1Å; Y209-F276 HydrophobicContact CE2-CE2 4.48Å; Y209-F276 AromaticContact CG-CD2 3.77Å; Y209-F276 HydrophobicContact CG-CD2 3.77Å; Y209-F276 AromaticContact CZ-CD2 3.97Å; Y209-Q281 HydrophobicContact CE2-CG 4.1Å; Y209-Q281 PolarHBondContact OH-OE1 3.29Å; Y209-L315 WeakPolarHBondContact O-CA 3.44Å; Y209-V316 PolarHBondContact N-O 2.81Å; Y209-V316 PolarHBondContact O-N 3.1Å; Y209-I318 HydrophobicContact CD2-CD1 4.42Å; Y209-I318 HydrophobicContact CE2-CD1 3.93Å
210	D	93.9	Very high	84.5	Confident	22 Å²	22	38.9 Å²	38.9	12%	0.118	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.5	164.4	173.1	-71.1	0	0	0	107.3	R218 T270 Y271 K272 S313	D210-R218 VanDerWaalsContact C-NH2 3.34Å; D210-R218 PolarHBondContact O-NH2 2.99Å; D210-R218 IonicContact OD1-CZ 3.8Å; D210-R218 VanDerWaalsContact OD1-CZ 3.25Å; D210-R218 IonicContact OD1-NH1 3.43Å; D210-R218 PolarHBondContact OD1-NH1 2.79Å; D210-R218 IonicContact OD1-NH2 2.72Å; D210-R218 PolarHBondContact OD1-NH2 3.03Å; D210-T270 HydrophobicContact CB-CG2 3.76Å; D210-Y271 PolarHBondContact N-O 3.26Å; D210-K272 WeakPolarHBondContact O-CA 3.48Å; D210-S313 VanDerWaalsContact CG-CB 3.47Å; D210-S313 WeakPolarHBondContact OD1-CB 3.37Å; D210-S313 PolarHBondContact OD1-OG 2.74Å; D210-S313 WeakPolarHBondContact OD2-CB 3.46Å; D210-S313 PolarHBondContact OD2-OG 3.46Å
211	L	94.4	Very high	83.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.3	-172.5	-57.6	179.9	0	0	0	111.1	F276 S313 L314 V316 F434 F437 I438 I441	L211-F276 HydrophobicContact CD1-CD2 4.14Å; L211-F276 HydrophobicContact CD1-CE2 4.32Å; L211-F276 HydrophobicContact CD2-CB 3.97Å; L211-F276 HydrophobicContact CD2-CD2 4.25Å; L211-F276 HydrophobicContact CD2-CG 4.23Å; L211-S313 CarbonylContact O-C 3.51Å; L211-S313 VanDerWaalsContact O-CA 3.22Å; L211-S313 WeakPolarHBondContact O-CA 3.19Å; L211-S313 WeakPolarHBondContact O-CB 3.46Å; L211-L314 HydrophobicContact CB-CB 4.43Å; L211-L314 PolarHBondContact N-O 2.86Å; L211-L314 PolarHBondContact O-N 2.99Å; L211-V316 HydrophobicContact CD1-CG2 3.88Å; L211-F434 WeakPolarHBondContact O-CE2 3.27Å; L211-F437 HydrophobicContact CB-CE1 4.14Å; L211-F437 HydrophobicContact CD1-CE1 4.34Å; L211-F437 HydrophobicContact CD2-CE1 4.37Å; L211-I438 HydrophobicContact CB-CD1 4.14Å; L211-I438 HydrophobicContact CD1-CD1 4.27Å; L211-I441 HydrophobicContact CD1-CD1 3.51Å
212	K	92.6	Very high	83.1	Confident	37 Å²	37	44.7 Å²	44.7	16%	0.161	25%	0.245	C	C	.	.			trans	-122.6	-5.8	-179.5	-75.6	-170.1	-176.1	-162.9	0	113.9	S214 D273 D311 S313 Y430	K212-S214 VanDerWaalsContact C-N 3.3Å; K212-D273 PolarHBondContact N-OD1 3.38Å; K212-D273 PolarHBondContact N-OD2 3.48Å; K212-D311 WeakPolarHBondContact CE-O 3.37Å; K212-D311 PolarHBondContact NZ-O 2.92Å; K212-S313 WeakPolarHBondContact CE-OG 3.33Å; K212-S313 WeakPolarHBondContact CG-OG 3.47Å; K212-Y430 WeakPolarHBondContact CD-OH 3.44Å; K212-Y430 WeakPolarHBondContact CG-OH 3.42Å
213	G	85.6	Confident	82.1	Confident	7 Å²	7	47.5 Å²	47.5	7%	0.072	26%	0.261	C	S	.	.	S	Bend	trans	66.3	31	-170.9	0	0	0	0	0	113.2	D273 R433 F437	G213-D273 WeakPolarHBondContact CA-OD1 3.41Å; G213-D273 PolarHBondContact N-OD1 3.44Å; G213-R433 WeakPolarHBondContact O-CD 3.47Å; G213-R433 WeakPolarHBondContact O-CG 3.41Å; G213-R433 PolarHBondContact O-NE 2.99Å; G213-F437 VanDerWaalsContact CA-CB 3.49Å; G213-F437 VanDerWaalsContact CA-CD1 3.45Å
214	S	79.6	Confident	81.1	Confident	17 Å²	17	49.8 Å²	49.8	12%	0.119	27%	0.271	C	S	.	.			trans	-127.2	147.9	174.4	60.8	0	0	0	0	110.1	K212 R218 D273	K212-S214 VanDerWaalsContact C-N 3.3Å; S214-R218 WeakPolarHBondContact O-CB 3.17Å; S214-R218 WeakPolarHBondContact O-CG 3.34Å; S214-R218 WeakPolarHBondContact OG-CG 3.25Å; S214-D273 PolarHBondContact N-OD1 3.49Å; S214-D273 WeakPolarHBondContact O-CB 3.46Å
215	T	68.2	Low	80.1	Confident	68 Å²	68	50.4 Å²	50.4	42%	0.417	27%	0.266	S	S	.	.			trans	-100.3	-15.8	-177.1	56.4	0	0	0	0	113.1	A217 N274 E421	T215-A217 PolarHBondContact O-N 2.68Å; T215-N274 PolarHBondContact O-ND2 2.88Å; T215-N274 PolarHBondContact O-OD1 3.45Å; T215-E421 PolarHBondContact OG1-OE2 3.27Å; T215-E421 VanDerWaalsContact OG1-OE2 3.04Å
216	V	70.9	Confident	78.4	Confident	85 Å²	85	55.5 Å²	55.5	52%	0.515	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	111.1	-175	-177.1	0	0	0	0	111.7	R218	V216-R218 VanDerWaalsContact C-N 3.32Å; V216-R218 PolarHBondContact O-N 3.48Å
217	A	63.9	Low	76.6	Confident	66 Å²	66	58.5 Å²	58.5	55%	0.545	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	38.2	178.8	0	0	0	0	0	114	T215	T215-A217 PolarHBondContact O-N 2.68Å
218	R	78.5	Confident	74.2	Confident	25 Å²	25	60.3 Å²	60.3	9%	0.094	33%	0.328	C	S	.	.			trans	-112.6	54.1	-176.8	-66.5	-67.7	-64	176	-0.8	111.9	D210 S214 V216 K272 D273 N274	D210-R218 VanDerWaalsContact C-NH2 3.34Å; D210-R218 PolarHBondContact O-NH2 2.99Å; D210-R218 IonicContact OD1-CZ 3.8Å; D210-R218 VanDerWaalsContact OD1-CZ 3.25Å; D210-R218 IonicContact OD1-NH1 3.43Å; D210-R218 PolarHBondContact OD1-NH1 2.79Å; D210-R218 IonicContact OD1-NH2 2.72Å; D210-R218 PolarHBondContact OD1-NH2 3.03Å; S214-R218 WeakPolarHBondContact O-CB 3.17Å; S214-R218 WeakPolarHBondContact O-CG 3.34Å; S214-R218 WeakPolarHBondContact OG-CG 3.25Å; V216-R218 VanDerWaalsContact C-N 3.32Å; V216-R218 PolarHBondContact O-N 3.48Å; R218-K272 VanDerWaalsContact C-CB 3.46Å; R218-K272 HydrophobicContact CB-CB 4.38Å; R218-K272 WeakPolarHBondContact O-CB 3.33Å; R218-D273 HydrophobicContact CB-CB 4.01Å; R218-D273 IonicContact CZ-OD2 3.48Å; R218-D273 IonicContact NE-OD2 3.33Å; R218-D273 PolarHBondContact NE-OD2 3.27Å; R218-D273 IonicContact NH2-OD2 4Å; R218-D273 PolarHBondContact NH2-OD2 3.27Å; R218-D273 PolarHBondContact O-N 3.32Å; R218-N274 WeakPolarHBondContact O-CB 3.41Å; R218-N274 PolarHBondContact O-N 3.02Å
219	E	78.4	Confident	71.7	Confident	100 Å²	100	64.3 Å²	64.3	47%	0.467	36%	0.357	S	S	.	.	S	Bend	trans	-121.4	144.2	169	-70.2	168.2	-158.6	0	0	108.7	K272 N274	E219-K272 PolarHBondContact O-NZ 3.48Å; E219-N274 HydrophobicContact CG-CB 3.37Å; E219-N274 PolarHBondContact OE1-ND2 2.94Å
220	A	72.6	Confident	69.2	Low	4 Å²	4	69 Å²	69	3%	0.033	39%	0.387	C	S	.	.			trans	-62.5	139.6	167.5	0	0	0	0	0	109.2	E224 K225 Y271 D275	A220-E224 HydrophobicContact CB-CG 4.34Å; A220-K225 HydrophobicContact CB-CD 4.41Å; A220-K225 HydrophobicContact CB-CG 3.9Å; A220-K225 VanDerWaalsContact O-CE 3.25Å; A220-K225 WeakPolarHBondContact O-CE 3.41Å; A220-Y271 HydrophobicContact CB-CD1 4.28Å; A220-D275 WeakPolarHBondContact CB-OD2 3.38Å; A220-D275 PolarHBondContact N-OD2 3.2Å
221	S	74.8	Confident	66.9	Low	58 Å²	58	76.4 Å²	76.4	41%	0.406	42%	0.421	S	S	.	.			trans	-69.3	153.6	-179.9	70.4	0	0	0	0	110.6	K223 E224 K225	S221-K223 PolarHBondContact O-N 3.2Å; S221-K223 VanDerWaalsContact O-N 3.13Å; S221-E224 PolarHBondContact N-OE2 2.86Å; S221-E224 WeakPolarHBondContact O-CA 3.31Å; S221-E224 WeakPolarHBondContact O-CB 3.47Å; S221-E224 PolarHBondContact O-N 2.98Å; S221-E224 WeakPolarHBondContact OG-CB 3.47Å; S221-E224 PolarHBondContact OG-N 3.39Å; S221-K225 PolarHBondContact O-N 2.81Å
222	D	72.6	Confident	64.5	Low	119 Å²	119	83.4 Å²	83.4	64%	0.636	46%	0.458	S	S	*	.	H	α-helix	trans	-57.8	-30.9	176.4	-62.7	-37.4	0	0	0	112.3	E224 K225 Q226	D222-E224 VanDerWaalsContact C-N 3.33Å; D222-K225 PolarHBondContact O-N 3.13Å; D222-Q226 WeakPolarHBondContact O-CB 3.34Å; D222-Q226 WeakPolarHBondContact O-CG 3.43Å; D222-Q226 PolarHBondContact O-N 2.92Å
223	K	67.6	Low	62	Low	185 Å²	185	87 Å²	87	80%	0.804	48%	0.483	S	S	*	.	H	α-helix	trans	-65.4	-35.6	173.2	-68.3	-173.6	177.5	-173.9	0	113.2	S221	S221-K223 PolarHBondContact O-N 3.2Å; S221-K223 VanDerWaalsContact O-N 3.13Å
224	E	67.3	Low	59.8	Low	64 Å²	64	91 Å²	91	30%	0.299	51%	0.508	S	S	.	.	H	α-helix	trans	-76.8	-36	178.6	-175.7	171.1	-160.9	0	0	110.5	A220 S221 D222 P269 T270 K272	A220-E224 HydrophobicContact CB-CG 4.34Å; S221-E224 PolarHBondContact N-OE2 2.86Å; S221-E224 WeakPolarHBondContact O-CA 3.31Å; S221-E224 WeakPolarHBondContact O-CB 3.47Å; S221-E224 PolarHBondContact O-N 2.98Å; S221-E224 WeakPolarHBondContact OG-CB 3.47Å; S221-E224 PolarHBondContact OG-N 3.39Å; D222-E224 VanDerWaalsContact C-N 3.33Å; E224-P269 HydrophobicContact CG-CB 4.5Å; E224-P269 WeakPolarHBondContact O-CB 3.48Å; E224-T270 WeakPolarHBondContact OE1-CB 3.34Å; E224-T270 VanDerWaalsContact OE1-O 3.09Å; E224-K272 IonicContact OE2-NZ 3Å
225	K	67.6	Low	57.7	Low	75 Å²	75	96 Å²	96	33%	0.326	54%	0.541	S	S	.	.	H	α-helix	trans	-74.6	-25.6	176.8	-67.3	178.8	177.4	177.9	0	113.6	A220 S221 D222 Y271 D275	A220-K225 HydrophobicContact CB-CD 4.41Å; A220-K225 HydrophobicContact CB-CG 3.9Å; A220-K225 VanDerWaalsContact O-CE 3.25Å; A220-K225 WeakPolarHBondContact O-CE 3.41Å; S221-K225 PolarHBondContact O-N 2.81Å; D222-K225 PolarHBondContact O-N 3.13Å; K225-Y271 HydrophobicContact CG-CE1 4.19Å; K225-D275 WeakPolarHBondContact CE-OD1 3.42Å; K225-D275 IonicContact NZ-OD1 3.87Å; K225-D275 PolarHBondContact NZ-OD1 2.62Å
226	Q	53.7	Low	56.3	Low	130 Å²	130	103.7 Å²	103.7	61%	0.607	56%	0.562	S	S	*	*	S	Bend	trans	-76.7	131.9	178.8	-80.2	175.1	33	0	0	110.5	D222	D222-Q226 WeakPolarHBondContact O-CB 3.34Å; D222-Q226 WeakPolarHBondContact O-CG 3.43Å; D222-Q226 PolarHBondContact O-N 2.92Å
227	P	49.3	Very low	55	Low	103 Å²	103	108.7 Å²	108.7	67%	0.669	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-60.1	145.3	163.6	26.1	-30.8	0	0	0	108.8
228	P	40.9	Very low	53.9	Low	76 Å²	76	114.5 Å²	114.5	49%	0.494	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-55.3	144.5	179.4	20.9	-31.2	0	0	0	110.4	K266	P228-K266 HydrophobicContact CG-CD 4.16Å; P228-K266 HydrophobicContact CG-CG 4.09Å
229	P	39.6	Very low	52.5	Low	109 Å²	109	118.7 Å²	118.7	71%	0.708	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-56.8	143	-178.5	23.2	-31.9	0	0	0	109.9	E231	P229-E231 PolarHBondContact O-N 3.25Å
230	P	41.8	Very low	51.1	Low	98 Å²	98	115.6 Å²	115.6	64%	0.636	62%	0.62	S	S	*	*			trans	-65.2	108.1	174.7	25.6	-30.7	0	0	0	108.7	D232	P230-D232 PolarHBondContact O-N 3.49Å
231	E	45.1	Very low	50.3	Low	178 Å²	178	122.2 Å²	122.2	83%	0.832	66%	0.655	S	S	*	*			trans	-68.1	126.5	167.2	-74.6	-169.5	160.5	0	0	109.4	P229	P229-E231 PolarHBondContact O-N 3.25Å
232	D	43.1	Very low	49.3	Very low	147 Å²	147	124.8 Å²	124.8	79%	0.786	67%	0.668	S	S	*	*			trans	42.3	80	169.6	-66	-22.1	0	0	0	117.7	P230 P234	P230-D232 PolarHBondContact O-N 3.49Å; D232-P234 WeakPolarHBondContact O-CD 3.24Å
233	V	40.8	Very low	48.3	Very low	112 Å²	112	127 Å²	127	68%	0.679	68%	0.675	S	S	*	*			trans	-76.4	115.5	155.7	-177.2	0	0	0	0	108.4
234	P	39.3	Very low	47.5	Very low	92 Å²	92	123.6 Å²	123.6	60%	0.597	66%	0.662	S	S	*	*			trans	-65	142.4	171.2	-11.8	26.5	0	0	0	109.5	D232 R236	D232-P234 WeakPolarHBondContact O-CD 3.24Å; P234-R236 PolarHBondContact O-N 2.93Å
235	P	36.4	Very low	46.8	Very low	123 Å²	123	129.5 Å²	129.5	80%	0.799	68%	0.681	S	S	*	*			trans	-62.1	130.2	-173.9	22.7	-31.2	0	0	0	111.8	Q237	P235-Q237 PolarHBondContact O-N 3.34Å; P235-Q237 VanDerWaalsContact O-N 3.1Å
236	R	38.9	Very low	46	Very low	229 Å²	229	130.2 Å²	130.2	86%	0.864	69%	0.688	S	S	*	*			trans	-65.6	101.4	-179.6	-153.9	177.8	-168.1	-176	4.8	110.3	P234	P234-R236 PolarHBondContact O-N 2.93Å
237	Q	43	Very low	45.9	Very low	189 Å²	189	130.1 Å²	130.1	88%	0.883	69%	0.688	S	S	*	*			trans	-78.5	124.1	168.3	-77.2	-176.4	-7.6	0	0	110.2	P235	P235-Q237 PolarHBondContact O-N 3.34Å; P235-Q237 VanDerWaalsContact O-N 3.1Å
238	K	41.6	Very low	45.8	Very low	188 Å²	188	129.5 Å²	129.5	82%	0.817	68%	0.682	S	S	*	*			trans	-97.7	97.1	176.2	-74.4	-175.9	178.1	178.6	0	110.5
239	S	48	Very low	46.2	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	69%	0.687	S	S	*	*			trans	175.1	129.2	140.2	56.3	0	0	0	0	108.6
240	G	49.1	Very low	46.8	Very low	35 Å²	35	132.3 Å²	132.3	36%	0.361	68%	0.677	S	S	.	*			trans	-177.7	139	177	0	0	0	0	0	114.2
241	N	55	Low	47.4	Very low	143 Å²	143	132.4 Å²	132.4	77%	0.765	67%	0.671	S	S	*	*			trans	-63.3	171.5	178.7	-76.8	-7.9	0	0	0	112	Q243 Q244 R245	N241-Q243 PolarHBondContact O-N 3.31Å; N241-Q243 VanDerWaalsContact O-N 3.09Å; N241-Q244 WeakPolarHBondContact O-CA 3.44Å; N241-Q244 WeakPolarHBondContact O-CB 3.3Å; N241-Q244 PolarHBondContact O-N 3.49Å; N241-R245 PolarHBondContact O-N 2.87Å; N241-R245 VanDerWaalsContact O-N 3.15Å
242	V	55.4	Low	47.5	Very low	112 Å²	112	126.1 Å²	126.1	68%	0.679	65%	0.65	S	S	*	*	H	α-helix	trans	-51.4	-36.4	-173.2	-179.2	0	0	0	0	113.7	R245 L246	V242-R245 PolarHBondContact O-N 2.86Å; V242-L246 HydrophobicContact CG1-CD1 4.48Å; V242-L246 PolarHBondContact O-N 3.31Å
243	Q	51.8	Low	47.8	Very low	166 Å²	166	121.6 Å²	121.6	78%	0.776	63%	0.627	S	S	*	*	H	α-helix	trans	-64.7	-37.1	173.5	-84.6	175	-34.4	0	0	113.6	N241 L246 Q247	N241-Q243 PolarHBondContact O-N 3.31Å; N241-Q243 VanDerWaalsContact O-N 3.09Å; Q243-L246 PolarHBondContact O-N 2.8Å; Q243-Q247 PolarHBondContact O-N 2.57Å
244	Q	49.8	Very low	48.2	Very low	114 Å²	114	124.8 Å²	124.8	53%	0.533	63%	0.627	S	S	.	*	H	α-helix	trans	-71.3	-31.3	175.5	-114.1	166.1	-15	0	0	111.8	N241 T248	N241-Q244 WeakPolarHBondContact O-CA 3.44Å; N241-Q244 WeakPolarHBondContact O-CB 3.3Å; N241-Q244 PolarHBondContact O-N 3.49Å; Q244-T248 VanDerWaalsContact O-CB 3.32Å; Q244-T248 WeakPolarHBondContact O-CB 3.44Å; Q244-T248 PolarHBondContact O-N 2.84Å; Q244-T248 PolarHBondContact O-OG1 2.92Å
245	R	51.7	Low	48.5	Very low	187 Å²	187	125.1 Å²	125.1	71%	0.706	62%	0.619	S	S	*	*	H	α-helix	trans	-66.4	-43.2	170.6	-80.9	-174.4	172.2	-176.2	-2.2	112.1	N241 V242 T248 L249	N241-R245 PolarHBondContact O-N 2.87Å; N241-R245 VanDerWaalsContact O-N 3.15Å; V242-R245 PolarHBondContact O-N 2.86Å; R245-T248 PolarHBondContact O-N 2.82Å; R245-L249 WeakPolarHBondContact O-CB 3.49Å; R245-L249 PolarHBondContact O-N 3.05Å
246	L	51.9	Low	48.9	Very low	90 Å²	90	126.7 Å²	126.7	47%	0.471	61%	0.61	S	S	.	*	H	α-helix	trans	-63.7	-40.8	174.9	-77.1	162.5	0	0	0	111.7	V242 Q243 L249 R250	V242-L246 HydrophobicContact CG1-CD1 4.48Å; V242-L246 PolarHBondContact O-N 3.31Å; Q243-L246 PolarHBondContact O-N 2.8Å; L246-L249 PolarHBondContact O-N 2.87Å; L246-R250 WeakPolarHBondContact O-CG 3.47Å; L246-R250 PolarHBondContact O-N 2.89Å
247	Q	51.1	Low	49.1	Very low	129 Å²	129	117.1 Å²	117.1	60%	0.603	58%	0.578	S	S	*	*	H	α-helix	trans	-68.5	-35.2	175	-167.1	153.1	-5.5	0	0	112.4	Q243 I251	Q243-Q247 PolarHBondContact O-N 2.57Å; Q247-I251 HydrophobicContact CG-CD1 4.19Å; Q247-I251 WeakPolarHBondContact O-CB 3.18Å; Q247-I251 WeakPolarHBondContact O-CD1 3.05Å; Q247-I251 WeakPolarHBondContact O-CG1 3.27Å; Q247-I251 PolarHBondContact O-N 2.75Å
248	T	47	Very low	48.9	Very low	90 Å²	90	110.7 Å²	110.7	55%	0.552	56%	0.557	S	S	*	*	H	α-helix	trans	-68	-36.5	171.9	-54.7	0	0	0	0	111.4	Q244 R245 A252	Q244-T248 VanDerWaalsContact O-CB 3.32Å; Q244-T248 WeakPolarHBondContact O-CB 3.44Å; Q244-T248 PolarHBondContact O-N 2.84Å; Q244-T248 PolarHBondContact O-OG1 2.92Å; R245-T248 PolarHBondContact O-N 2.82Å; T248-A252 WeakPolarHBondContact O-CB 3.11Å; T248-A252 PolarHBondContact O-N 2.92Å
249	L	50.2	Low	48.9	Very low	114 Å²	114	104.7 Å²	104.7	60%	0.597	53%	0.533	S	S	*	.	H	α-helix	trans	-65.9	-49.7	173.9	-129.2	91.3	0	0	0	110.3	R245 L246 I251 A252 T253	R245-L249 WeakPolarHBondContact O-CB 3.49Å; R245-L249 PolarHBondContact O-N 3.05Å; L246-L249 PolarHBondContact O-N 2.87Å; L249-I251 VanDerWaalsContact C-N 3.34Å; L249-I251 PolarHBondContact O-N 3.35Å; L249-A252 CarbonylContact O-C 3.52Å; L249-A252 WeakPolarHBondContact O-CA 3.34Å; L249-A252 WeakPolarHBondContact O-CB 3.5Å; L249-A252 PolarHBondContact O-N 3.15Å; L249-T253 WeakPolarHBondContact O-CB 3.25Å; L249-T253 PolarHBondContact O-N 3.45Å; L249-T253 PolarHBondContact O-OG1 3.39Å
250	R	51.3	Low	48.6	Very low	130 Å²	130	101.4 Å²	101.4	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-59.8	-41.2	176.3	-73.7	-177.7	-178.6	158.8	5.3	112.7	L246 R254 E341	L246-R250 WeakPolarHBondContact O-CG 3.47Å; L246-R250 PolarHBondContact O-N 2.89Å; R250-R254 WeakPolarHBondContact O-CB 3.16Å; R250-R254 PolarHBondContact O-N 3.15Å; R250-E341 IonicContact CZ-OE1 3.02Å; R250-E341 IonicContact CZ-OE2 2.86Å; R250-E341 IonicContact NE-OE1 3.78Å; R250-E341 IonicContact NE-OE2 3.76Å; R250-E341 PolarHBondContact NE-OE2 3.41Å; R250-E341 IonicContact NH2-OE1 2.73Å; R250-E341 PolarHBondContact NH2-OE1 3.07Å; R250-E341 IonicContact NH2-OE2 2.68Å; R250-E341 PolarHBondContact NH2-OE2 3.34Å
251	I	54.3	Low	48.1	Very low	100 Å²	100	106.4 Å²	106.4	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-64	-45.5	172.8	-69.9	165.5	0	0	0	109.5	Q247 L249 R254 F255	Q247-I251 HydrophobicContact CG-CD1 4.19Å; Q247-I251 WeakPolarHBondContact O-CB 3.18Å; Q247-I251 WeakPolarHBondContact O-CD1 3.05Å; Q247-I251 WeakPolarHBondContact O-CG1 3.27Å; Q247-I251 PolarHBondContact O-N 2.75Å; L249-I251 VanDerWaalsContact C-N 3.34Å; L249-I251 PolarHBondContact O-N 3.35Å; I251-R254 PolarHBondContact O-N 3.48Å; I251-F255 VanDerWaalsContact O-CB 3.23Å; I251-F255 WeakPolarHBondContact O-CB 3.39Å; I251-F255 PolarHBondContact O-N 2.69Å
252	A	47.1	Very low	47.2	Very low	46 Å²	46	103 Å²	103	38%	0.38	50%	0.502	S	S	.	.	H	α-helix	trans	-65.2	-36.4	178.5	0	0	0	0	0	113	T248 L249 F255 Y256	T248-A252 WeakPolarHBondContact O-CB 3.11Å; T248-A252 PolarHBondContact O-N 2.92Å; L249-A252 CarbonylContact O-C 3.52Å; L249-A252 WeakPolarHBondContact O-CA 3.34Å; L249-A252 WeakPolarHBondContact O-CB 3.5Å; L249-A252 PolarHBondContact O-N 3.15Å; A252-F255 CarbonylContact O-C 3.49Å; A252-F255 WeakPolarHBondContact O-CB 3.32Å; A252-F255 PolarHBondContact O-N 2.95Å; A252-Y256 VanDerWaalsContact O-CB 3.3Å; A252-Y256 WeakPolarHBondContact O-CB 3.39Å; A252-Y256 PolarHBondContact O-N 3.01Å
253	T	49.9	Very low	46.4	Very low	51 Å²	51	104.1 Å²	104.1	31%	0.313	49%	0.494	S	S	.	.	H	α-helix	trans	-71	-45	176.1	-55.2	0	0	0	0	110.7	L249 F255 Y256 C257	L249-T253 WeakPolarHBondContact O-CB 3.25Å; L249-T253 PolarHBondContact O-N 3.45Å; L249-T253 PolarHBondContact O-OG1 3.39Å; T253-F255 VanDerWaalsContact C-N 3.3Å; T253-F255 PolarHBondContact O-N 2.85Å; T253-Y256 CarbonylContact O-C 3.56Å; T253-Y256 WeakPolarHBondContact O-CA 3.34Å; T253-Y256 WeakPolarHBondContact O-CB 3.34Å; T253-Y256 PolarHBondContact O-N 3.46Å; T253-Y256 VanDerWaalsContact O-N 3.08Å; T253-C257 PolarHBondContact O-N 3.44Å; T253-C257 PolarHBondContact O-SG 3.37Å; T253-C257 VanDerWaalsContact O-SG 3.36Å
254	R	49.2	Very low	45.8	Very low	180 Å²	180	102.5 Å²	102.5	68%	0.679	49%	0.491	S	S	*	.	H	α-helix	trans	-63.1	-36.3	169.7	-80.8	-174.8	171	178.3	-1.6	112.3	R250 I251 Y256 A258	R250-R254 WeakPolarHBondContact O-CB 3.16Å; R250-R254 PolarHBondContact O-N 3.15Å; I251-R254 PolarHBondContact O-N 3.48Å; R254-Y256 VanDerWaalsContact C-N 3.33Å; R254-A258 WeakPolarHBondContact O-CB 3.42Å; R254-A258 PolarHBondContact O-N 2.92Å
255	F	46.1	Very low	45.2	Very low	99 Å²	99	101 Å²	101	43%	0.434	50%	0.498	S	S	.	.	H	α-helix	trans	-66.6	-36.9	171.9	-131.5	-95.9	0	0	0	110.7	I251 A252 T253 M259	I251-F255 VanDerWaalsContact O-CB 3.23Å; I251-F255 WeakPolarHBondContact O-CB 3.39Å; I251-F255 PolarHBondContact O-N 2.69Å; A252-F255 CarbonylContact O-C 3.49Å; A252-F255 WeakPolarHBondContact O-CB 3.32Å; A252-F255 PolarHBondContact O-N 2.95Å; T253-F255 VanDerWaalsContact C-N 3.3Å; T253-F255 PolarHBondContact O-N 2.85Å; F255-M259 HydrophobicContact CD1-CG 4.22Å; F255-M259 WeakPolarHBondContact O-CA 3.35Å; F255-M259 WeakPolarHBondContact O-CB 3.42Å; F255-M259 WeakPolarHBondContact O-CG 3.42Å; F255-M259 PolarHBondContact O-N 2.83Å
256	Y	45.4	Very low	45.3	Very low	156 Å²	156	95.3 Å²	95.3	61%	0.612	48%	0.478	S	S	*	.	H	α-helix	trans	-69.8	-41.2	177.2	-121.8	-98.2	0	0	0	111.5	A252 T253 R254 M259 K260	A252-Y256 VanDerWaalsContact O-CB 3.3Å; A252-Y256 WeakPolarHBondContact O-CB 3.39Å; A252-Y256 PolarHBondContact O-N 3.01Å; T253-Y256 CarbonylContact O-C 3.56Å; T253-Y256 WeakPolarHBondContact O-CA 3.34Å; T253-Y256 WeakPolarHBondContact O-CB 3.34Å; T253-Y256 PolarHBondContact O-N 3.46Å; T253-Y256 VanDerWaalsContact O-N 3.08Å; R254-Y256 VanDerWaalsContact C-N 3.33Å; Y256-M259 CarbonylContact O-C 3.46Å; Y256-M259 PolarHBondContact O-N 3.43Å; Y256-K260 WeakPolarHBondContact O-CB 3.4Å; Y256-K260 PolarHBondContact O-N 3.05Å
257	C	41.4	Very low	45.7	Very low	28 Å²	28	94.5 Å²	94.5	19%	0.189	47%	0.472	C	S	.	.	H	α-helix	trans	-65.8	-45.2	172.8	-69.3	0	0	0	0	111.6	T253 M259 K260 H261 I334	T253-C257 PolarHBondContact O-N 3.44Å; T253-C257 PolarHBondContact O-SG 3.37Å; T253-C257 VanDerWaalsContact O-SG 3.36Å; C257-M259 VanDerWaalsContact C-N 3.29Å; C257-M259 PolarHBondContact O-N 3.14Å; C257-K260 WeakPolarHBondContact O-CB 3.46Å; C257-K260 PolarHBondContact O-N 2.79Å; C257-H261 PolarHBondContact O-N 2.9Å; C257-I334 VanDerWaalsContact SG-CG2 3.5Å
258	A	39.3	Very low	46.8	Very low	53 Å²	53	91.5 Å²	91.5	44%	0.438	46%	0.46	S	S	.	.	H	α-helix	trans	-59.6	-42.2	170.7	0	0	0	0	0	110.6	R254 K260 V262	R254-A258 WeakPolarHBondContact O-CB 3.42Å; R254-A258 PolarHBondContact O-N 2.92Å; A258-K260 VanDerWaalsContact C-N 3.29Å; A258-K260 PolarHBondContact O-N 2.89Å; A258-V262 WeakPolarHBondContact O-CB 3.29Å; A258-V262 WeakPolarHBondContact O-CG2 3.38Å; A258-V262 PolarHBondContact O-N 3.43Å
259	M	41.8	Very low	48.5	Very low	62 Å²	62	88.7 Å²	88.7	31%	0.305	44%	0.443	S	S	.	.	H	α-helix	trans	-70.5	-19.2	174.1	-78.3	-146.1	138.6	0	0	114.1	F255 Y256 C257 V262 R263	F255-M259 HydrophobicContact CD1-CG 4.22Å; F255-M259 WeakPolarHBondContact O-CA 3.35Å; F255-M259 WeakPolarHBondContact O-CB 3.42Å; F255-M259 WeakPolarHBondContact O-CG 3.42Å; F255-M259 PolarHBondContact O-N 2.83Å; Y256-M259 CarbonylContact O-C 3.46Å; Y256-M259 PolarHBondContact O-N 3.43Å; C257-M259 VanDerWaalsContact C-N 3.29Å; C257-M259 PolarHBondContact O-N 3.14Å; M259-V262 CarbonylContact O-C 3.58Å; M259-R263 WeakPolarHBondContact O-CB 3.24Å; M259-R263 PolarHBondContact O-N 3.47Å
260	K	41.8	Very low	50.3	Low	44 Å²	44	84.8 Å²	84.8	19%	0.191	42%	0.424	C	S	.	.	H	α-helix	trans	-81	-46.5	175.9	-167.2	175.4	-176.2	173	0	110.2	Y256 C257 A258 V262 R263 D264 E327 T331	Y256-K260 WeakPolarHBondContact O-CB 3.4Å; Y256-K260 PolarHBondContact O-N 3.05Å; C257-K260 WeakPolarHBondContact O-CB 3.46Å; C257-K260 PolarHBondContact O-N 2.79Å; A258-K260 VanDerWaalsContact C-N 3.29Å; A258-K260 PolarHBondContact O-N 2.89Å; K260-V262 PolarHBondContact O-N 3.07Å; K260-R263 CarbonylContact O-C 3.47Å; K260-R263 VanDerWaalsContact O-CA 3.31Å; K260-R263 WeakPolarHBondContact O-CA 3.44Å; K260-R263 VanDerWaalsContact O-CB 3.25Å; K260-R263 WeakPolarHBondContact O-CB 3.21Å; K260-R263 PolarHBondContact O-N 3.24Å; K260-D264 PolarHBondContact O-N 2.83Å; K260-E327 PolarHBondContact NZ-O 2.53Å; K260-T331 WeakPolarHBondContact CE-OG1 3.28Å; K260-T331 PolarHBondContact NZ-OG1 2.69Å
261	H	39.5	Very low	52.1	Low	140 Å²	140	81.1 Å²	81.1	65%	0.648	41%	0.41	S	S	*	.	H	α-helix	trans	-61.2	-34.2	166.4	-72.1	-50	0	0	0	112.4	C257 R263 A265	C257-H261 PolarHBondContact O-N 2.9Å; H261-R263 VanDerWaalsContact C-N 3.33Å; H261-A265 WeakPolarHBondContact O-CB 3.49Å; H261-A265 PolarHBondContact O-N 3.13Å; H261-A265 VanDerWaalsContact O-N 3.08Å
262	V	35.1	Very low	53.9	Low	71 Å²	71	77.4 Å²	77.4	43%	0.43	39%	0.391	S	S	.	.	H	α-helix	trans	-72	-26.8	169.9	-179.3	0	0	0	0	110.9	A258 M259 K260 A265 K266	A258-V262 WeakPolarHBondContact O-CB 3.29Å; A258-V262 WeakPolarHBondContact O-CG2 3.38Å; A258-V262 PolarHBondContact O-N 3.43Å; M259-V262 CarbonylContact O-C 3.58Å; K260-V262 PolarHBondContact O-N 3.07Å; V262-A265 CarbonylContact O-C 3.55Å; V262-A265 PolarHBondContact O-N 3.43Å; V262-K266 HydrophobicContact CG1-CD 4.43Å; V262-K266 VanDerWaalsContact CG1-CE 3.49Å; V262-K266 HydrophobicContact CG1-CG 4.3Å; V262-K266 WeakPolarHBondContact O-CB 3.36Å; V262-K266 WeakPolarHBondContact O-CG 3.35Å; V262-K266 PolarHBondContact O-N 3.21Å
263	R	37.8	Very low	56.1	Low	136 Å²	136	75.2 Å²	75.2	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-71.6	-39.1	173.8	-118.2	-178	-82	-176	-4.8	111.8	M259 K260 H261 A265 K266	M259-R263 WeakPolarHBondContact O-CB 3.24Å; M259-R263 PolarHBondContact O-N 3.47Å; K260-R263 CarbonylContact O-C 3.47Å; K260-R263 VanDerWaalsContact O-CA 3.31Å; K260-R263 WeakPolarHBondContact O-CA 3.44Å; K260-R263 VanDerWaalsContact O-CB 3.25Å; K260-R263 WeakPolarHBondContact O-CB 3.21Å; K260-R263 PolarHBondContact O-N 3.24Å; H261-R263 VanDerWaalsContact C-N 3.33Å; R263-A265 PolarHBondContact O-N 3.37Å; R263-K266 PolarHBondContact O-N 3.44Å; R263-K266 VanDerWaalsContact O-N 3.13Å
264	D	40.1	Very low	57.9	Low	132 Å²	132	73.9 Å²	73.9	71%	0.706	36%	0.364	S	S	*	.	H	α-helix	trans	-66.4	-23.9	169.4	-67.2	-30.6	0	0	0	112.4	K260	K260-D264 PolarHBondContact O-N 2.83Å
265	A	38	Very low	59.9	Low	82 Å²	82	65.6 Å²	65.6	68%	0.678	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-7	172.2	0	0	0	0	0	114.2	H261 V262 R263 E267	H261-A265 WeakPolarHBondContact O-CB 3.49Å; H261-A265 PolarHBondContact O-N 3.13Å; H261-A265 VanDerWaalsContact O-N 3.08Å; V262-A265 CarbonylContact O-C 3.55Å; V262-A265 PolarHBondContact O-N 3.43Å; R263-A265 PolarHBondContact O-N 3.37Å; A265-E267 PolarHBondContact O-N 3.13Å
266	K	52.3	Low	62.1	Low	69 Å²	69	61 Å²	61	30%	0.3	31%	0.313	S	S	.	.	S	Bend	trans	-86.7	114.6	-179.7	-88	171	-159.6	-161.5	0	108.7	P228 V262 R263 L268	P228-K266 HydrophobicContact CG-CD 4.16Å; P228-K266 HydrophobicContact CG-CG 4.09Å; V262-K266 HydrophobicContact CG1-CD 4.43Å; V262-K266 VanDerWaalsContact CG1-CE 3.49Å; V262-K266 HydrophobicContact CG1-CG 4.3Å; V262-K266 WeakPolarHBondContact O-CB 3.36Å; V262-K266 WeakPolarHBondContact O-CG 3.35Å; V262-K266 PolarHBondContact O-N 3.21Å; R263-K266 PolarHBondContact O-N 3.44Å; R263-K266 VanDerWaalsContact O-N 3.13Å; K266-L268 PolarHBondContact O-N 2.94Å
267	E	61.4	Low	64.2	Low	73 Å²	73	57.8 Å²	57.8	34%	0.341	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-65.5	120.4	-179.2	-159.7	171.1	-137.5	0	0	111.1	S123 A125 A265	S123-E267 WeakPolarHBondContact CB-OE1 2.83Å; S123-E267 PolarHBondContact OG-OE1 3.04Å; A125-E267 WeakPolarHBondContact CA-OE1 3.42Å; A125-E267 WeakPolarHBondContact CA-OE2 3.41Å; A125-E267 WeakPolarHBondContact CB-OE1 3.31Å; A125-E267 WeakPolarHBondContact CB-OE2 3.25Å; A125-E267 PolarHBondContact N-OE1 2.92Å; A125-E267 PolarHBondContact N-OE2 3Å; A265-E267 PolarHBondContact O-N 3.13Å
268	L	72.9	Confident	66.6	Low	66 Å²	66	62.1 Å²	62.1	35%	0.346	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-61.3	142.4	178	-74.6	164.9	0	0	0	111.4	V205 K208 K266	V205-L268 WeakPolarHBondContact O-CD1 3.25Å; K208-L268 WeakPolarHBondContact CE-O 3.33Å; K208-L268 PolarHBondContact NZ-O 3.02Å; K266-L268 PolarHBondContact O-N 2.94Å
269	P	83.6	Confident	68.9	Low	31 Å²	31	63.9 Å²	63.9	20%	0.201	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-53.8	145.6	172.8	21	-32.4	0	0	0	111.4	E224 Y271	E224-P269 HydrophobicContact CG-CB 4.5Å; E224-P269 WeakPolarHBondContact O-CB 3.48Å; P269-Y271 HydrophobicContact CB-CE1 4.49Å; P269-Y271 HydrophobicContact CB-CE2 4.1Å; P269-Y271 HydrophobicContact CG-CD2 4.49Å; P269-Y271 HydrophobicContact CG-CE2 3.64Å
270	T	87.5	Confident	71.2	Confident	32 Å²	32	63.4 Å²	63.4	20%	0.196	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	98.6	170.4	-53.2	0	0	0	0	109.2	D210 E224	D210-T270 HydrophobicContact CB-CG2 3.76Å; E224-T270 WeakPolarHBondContact OE1-CB 3.34Å; E224-T270 VanDerWaalsContact OE1-O 3.09Å
271	Y	90.4	Very high	73.6	Confident	52 Å²	52	62.6 Å²	62.6	20%	0.204	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	161.8	177.5	-64.8	-73.7	0	0	0	111.6	K207 K208 Y209 D210 A220 K225 P269 D275	K207-Y271 HydrophobicContact CG-CD2 4.28Å; K207-Y271 HydrophobicContact CG-CE2 4.25Å; K208-Y271 WeakPolarHBondContact O-CB 3.4Å; K208-Y271 WeakPolarHBondContact O-CD2 3.3Å; K208-Y271 PolarHBondContact O-N 3.3Å; Y209-Y271 CarbonylContact C-O 3.55Å; Y209-Y271 VanDerWaalsContact CA-O 3.24Å; Y209-Y271 WeakPolarHBondContact CA-O 3.31Å; Y209-Y271 HydrophobicContact CD1-CG 4.39Å; Y209-Y271 VanDerWaalsContact CE1-CB 3.42Å; Y209-Y271 HydrophobicContact CE1-CD2 4.36Å; Y209-Y271 HydrophobicContact CE1-CG 4.1Å; D210-Y271 PolarHBondContact N-O 3.26Å; A220-Y271 HydrophobicContact CB-CD1 4.28Å; K225-Y271 HydrophobicContact CG-CE1 4.19Å; P269-Y271 HydrophobicContact CB-CE1 4.49Å; P269-Y271 HydrophobicContact CB-CE2 4.1Å; P269-Y271 HydrophobicContact CG-CD2 4.49Å; P269-Y271 HydrophobicContact CG-CE2 3.64Å; Y271-D275 HydrophobicContact CD1-CB 3.9Å; Y271-D275 HydrophobicContact CG-CB 4.3Å
272	K	92.2	Very high	76.2	Confident	22 Å²	22	59.7 Å²	59.7	10%	0.096	32%	0.322	C	S	.	.			trans	-123.8	-173	-178.3	-63.4	-176.6	-165	132.5	0	112	D210 R218 E219 E224 N274 D275 F276	D210-K272 WeakPolarHBondContact O-CA 3.48Å; R218-K272 VanDerWaalsContact C-CB 3.46Å; R218-K272 HydrophobicContact CB-CB 4.38Å; R218-K272 WeakPolarHBondContact O-CB 3.33Å; E219-K272 PolarHBondContact O-NZ 3.48Å; E224-K272 IonicContact OE2-NZ 3Å; K272-N274 PolarHBondContact O-N 3.5Å; K272-D275 PolarHBondContact N-OD2 2.95Å; K272-D275 WeakPolarHBondContact O-CB 2.81Å; K272-D275 PolarHBondContact O-N 3.02Å; K272-D275 VanDerWaalsContact O-N 3.15Å; K272-F276 PolarHBondContact O-N 3.49Å
273	D	91.5	Very high	79.1	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-53.5	-48.7	-173	-51.4	-123.5	0	0	0	113	K212 G213 S214 R218 F276 I277 F437	K212-D273 PolarHBondContact N-OD1 3.38Å; K212-D273 PolarHBondContact N-OD2 3.48Å; G213-D273 WeakPolarHBondContact CA-OD1 3.41Å; G213-D273 PolarHBondContact N-OD1 3.44Å; S214-D273 PolarHBondContact N-OD1 3.49Å; S214-D273 WeakPolarHBondContact O-CB 3.46Å; R218-D273 HydrophobicContact CB-CB 4.01Å; R218-D273 IonicContact CZ-OD2 3.48Å; R218-D273 IonicContact NE-OD2 3.33Å; R218-D273 PolarHBondContact NE-OD2 3.27Å; R218-D273 IonicContact NH2-OD2 4Å; R218-D273 PolarHBondContact NH2-OD2 3.27Å; R218-D273 PolarHBondContact O-N 3.32Å; D273-F276 WeakPolarHBondContact O-CB 3.37Å; D273-F276 PolarHBondContact O-N 3.07Å; D273-I277 VanDerWaalsContact O-CG1 3.3Å; D273-I277 WeakPolarHBondContact O-CG1 3.2Å; D273-I277 PolarHBondContact O-N 3.27Å; D273-F437 HydrophobicContact CB-CZ 4.2Å
274	N	88.4	Confident	81.8	Confident	23 Å²	23	53.1 Å²	53.1	12%	0.123	29%	0.29	C	S	.	.	H	α-helix	trans	-70.4	-35.1	-178.6	-67.6	-1.8	0	0	0	111.3	T215 R218 E219 K272 F276 I277 N278	T215-N274 PolarHBondContact O-ND2 2.88Å; T215-N274 PolarHBondContact O-OD1 3.45Å; R218-N274 WeakPolarHBondContact O-CB 3.41Å; R218-N274 PolarHBondContact O-N 3.02Å; E219-N274 HydrophobicContact CG-CB 3.37Å; E219-N274 PolarHBondContact OE1-ND2 2.94Å; K272-N274 PolarHBondContact O-N 3.5Å; N274-F276 VanDerWaalsContact C-N 3.33Å; N274-I277 PolarHBondContact O-N 3.49Å; N274-N278 WeakPolarHBondContact O-CB 3.32Å; N274-N278 PolarHBondContact O-N 2.9Å; N274-N278 PolarHBondContact O-ND2 3.4Å; N274-N278 VanDerWaalsContact O-ND2 3.15Å
275	D	90.6	Very high	84.5	Confident	6 Å²	6	47 Å²	47	3%	0.032	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-42.4	174.6	-54.8	-60.2	0	0	0	110.4	A220 K225 Y271 K272 I277 N278 D279	A220-D275 WeakPolarHBondContact CB-OD2 3.38Å; A220-D275 PolarHBondContact N-OD2 3.2Å; K225-D275 WeakPolarHBondContact CE-OD1 3.42Å; K225-D275 IonicContact NZ-OD1 3.87Å; K225-D275 PolarHBondContact NZ-OD1 2.62Å; Y271-D275 HydrophobicContact CD1-CB 3.9Å; Y271-D275 HydrophobicContact CG-CB 4.3Å; K272-D275 PolarHBondContact N-OD2 2.95Å; K272-D275 WeakPolarHBondContact O-CB 2.81Å; K272-D275 PolarHBondContact O-N 3.02Å; K272-D275 VanDerWaalsContact O-N 3.15Å; D275-I277 PolarHBondContact O-N 2.96Å; D275-N278 PolarHBondContact O-N 3.47Å; D275-D279 VanDerWaalsContact O-CB 3.23Å; D275-D279 WeakPolarHBondContact O-CB 3.29Å; D275-D279 VanDerWaalsContact O-CG 3.29Å; D275-D279 PolarHBondContact O-N 3.44Å
276	F	92.6	Very high	87.3	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.009	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-45.6	176.6	-170.9	-78.8	0	0	0	111.7	Y209 L211 K272 D273 N274 Q281 I283 I441	Y209-F276 HydrophobicContact CD1-CB 3.79Å; Y209-F276 AromaticContact CD1-CD2 3.63Å; Y209-F276 HydrophobicContact CD1-CD2 3.63Å; Y209-F276 HydrophobicContact CD1-CG 4.21Å; Y209-F276 HydrophobicContact CD2-CD2 4Å; Y209-F276 HydrophobicContact CD2-CE2 4.42Å; Y209-F276 HydrophobicContact CE1-CB 3.8Å; Y209-F276 AromaticContact CE1-CD2 3.75Å; Y209-F276 HydrophobicContact CE1-CD2 3.75Å; Y209-F276 HydrophobicContact CE1-CG 4.21Å; Y209-F276 HydrophobicContact CE2-CD2 4.1Å; Y209-F276 HydrophobicContact CE2-CE2 4.48Å; Y209-F276 AromaticContact CG-CD2 3.77Å; Y209-F276 HydrophobicContact CG-CD2 3.77Å; Y209-F276 AromaticContact CZ-CD2 3.97Å; L211-F276 HydrophobicContact CD1-CD2 4.14Å; L211-F276 HydrophobicContact CD1-CE2 4.32Å; L211-F276 HydrophobicContact CD2-CB 3.97Å; L211-F276 HydrophobicContact CD2-CD2 4.25Å; L211-F276 HydrophobicContact CD2-CG 4.23Å; K272-F276 PolarHBondContact O-N 3.49Å; D273-F276 WeakPolarHBondContact O-CB 3.37Å; D273-F276 PolarHBondContact O-N 3.07Å; N274-F276 VanDerWaalsContact C-N 3.33Å; F276-Q281 HydrophobicContact CD1-CB 4.21Å; F276-Q281 HydrophobicContact CD2-CB 3.97Å; F276-Q281 HydrophobicContact CD2-CG 3.89Å; F276-Q281 HydrophobicContact CE1-CB 4.14Å; F276-Q281 HydrophobicContact CE1-CG 4.45Å; F276-Q281 WeakPolarHBondContact CE1-O 3.25Å; F276-Q281 HydrophobicContact CE2-CB 3.91Å; F276-Q281 HydrophobicContact CE2-CG 3.48Å; F276-Q281 VanDerWaalsContact CE2-CG 3.48Å; F276-Q281 HydrophobicContact CG-CB 4.12Å; F276-Q281 HydrophobicContact CZ-CB 3.99Å; F276-Q281 HydrophobicContact CZ-CG 3.8Å; F276-Q281 WeakPolarHBondContact CZ-O 3.18Å; F276-Q281 PolarHBondContact O-N 2.97Å; F276-Q281 VanDerWaalsContact O-N 3.1Å; F276-I283 HydrophobicContact CE2-CD1 4.3Å; F276-I283 HydrophobicContact CE2-CG1 4.4Å; F276-I283 HydrophobicContact CZ-CD1 4.2Å; F276-I283 HydrophobicContact CZ-CG1 4.15Å; F276-I441 HydrophobicContact CD1-CG2 4.05Å; F276-I441 HydrophobicContact CE1-CB 3.6Å; F276-I441 HydrophobicContact CE1-CD1 4.21Å; F276-I441 HydrophobicContact CE1-CG1 4.46Å; F276-I441 HydrophobicContact CE1-CG2 3.6Å; F276-I441 HydrophobicContact CZ-CB 3.97Å; F276-I441 HydrophobicContact CZ-CD1 4.03Å; F276-I441 HydrophobicContact CZ-CG1 4.47Å; F276-I441 HydrophobicContact CZ-CG2 4.4Å
277	I	90.8	Very high	89.4	Confident	88 Å²	88	45.4 Å²	45.4	45%	0.451	26%	0.255	S	S	.	.	H	α-helix	trans	-68.4	-47.4	179.1	-63.6	164.8	0	0	0	111	D273 N274 D275 D279 G280 F437	D273-I277 VanDerWaalsContact O-CG1 3.3Å; D273-I277 WeakPolarHBondContact O-CG1 3.2Å; D273-I277 PolarHBondContact O-N 3.27Å; N274-I277 PolarHBondContact O-N 3.49Å; D275-I277 PolarHBondContact O-N 2.96Å; I277-D279 VanDerWaalsContact C-N 3.35Å; I277-D279 PolarHBondContact O-N 2.93Å; I277-G280 PolarHBondContact O-N 3.21Å; I277-F437 HydrophobicContact CD1-CE2 4.05Å; I277-F437 HydrophobicContact CG1-CE2 4.38Å
278	N	90.1	Very high	91	Very high	120 Å²	120	48.8 Å²	48.8	64%	0.642	27%	0.27	S	S	*	.	H	α-helix	trans	-67.6	-34.8	-175.5	-69.5	-19.9	0	0	0	112.3	N274 D275 G280	N274-N278 WeakPolarHBondContact O-CB 3.32Å; N274-N278 PolarHBondContact O-N 2.9Å; N274-N278 PolarHBondContact O-ND2 3.4Å; N274-N278 VanDerWaalsContact O-ND2 3.15Å; D275-N278 PolarHBondContact O-N 3.47Å; N278-G280 PolarHBondContact O-N 3.46Å
279	D	89.3	Confident	92.1	Very high	89 Å²	89	48.2 Å²	48.2	48%	0.476	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.9	172.9	-79.3	8.5	0	0	0	112.6	K207 D275 I277 Q281	K207-D279 IonicContact NZ-OD2 3.61Å; K207-D279 PolarHBondContact NZ-OD2 2.92Å; D275-D279 VanDerWaalsContact O-CB 3.23Å; D275-D279 WeakPolarHBondContact O-CB 3.29Å; D275-D279 VanDerWaalsContact O-CG 3.29Å; D275-D279 PolarHBondContact O-N 3.44Å; I277-D279 VanDerWaalsContact C-N 3.35Å; I277-D279 PolarHBondContact O-N 2.93Å; D279-Q281 HydrophobicContact CB-CB 4.44Å; D279-Q281 PolarHBondContact O-N 3.3Å
280	G	89.9	Confident	92.8	Very high	53 Å²	53	49 Å²	49	55%	0.546	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	24.1	-171.5	0	0	0	0	0	112.8	I277 N278	I277-G280 PolarHBondContact O-N 3.21Å; N278-G280 PolarHBondContact O-N 3.46Å
281	Q	92.6	Very high	93.2	Very high	26 Å²	26	54.8 Å²	54.8	12%	0.121	29%	0.29	C	S	.	.			trans	-62.9	140	-177.5	-173.4	66.7	59.5	0	0	110	Y209 F276 D279 I318	Y209-Q281 HydrophobicContact CE2-CG 4.1Å; Y209-Q281 PolarHBondContact OH-OE1 3.29Å; F276-Q281 HydrophobicContact CD1-CB 4.21Å; F276-Q281 HydrophobicContact CD2-CB 3.97Å; F276-Q281 HydrophobicContact CD2-CG 3.89Å; F276-Q281 HydrophobicContact CE1-CB 4.14Å; F276-Q281 HydrophobicContact CE1-CG 4.45Å; F276-Q281 WeakPolarHBondContact CE1-O 3.25Å; F276-Q281 HydrophobicContact CE2-CB 3.91Å; F276-Q281 HydrophobicContact CE2-CG 3.48Å; F276-Q281 VanDerWaalsContact CE2-CG 3.48Å; F276-Q281 HydrophobicContact CG-CB 4.12Å; F276-Q281 HydrophobicContact CZ-CB 3.99Å; F276-Q281 HydrophobicContact CZ-CG 3.8Å; F276-Q281 WeakPolarHBondContact CZ-O 3.18Å; F276-Q281 PolarHBondContact O-N 2.97Å; F276-Q281 VanDerWaalsContact O-N 3.1Å; D279-Q281 HydrophobicContact CB-CB 4.44Å; D279-Q281 PolarHBondContact O-N 3.3Å; Q281-I318 HydrophobicContact CG-CD1 4.29Å
282	K	92.3	Very high	93.6	Very high	79 Å²	79	56.6 Å²	56.6	34%	0.343	30%	0.302	S	S	.	.			trans	-131.5	159	173.1	-67.7	-62	-172.6	179.3	0	109.7	Y284 S443	K282-Y284 HydrophobicContact CB-CD2 4.28Å; K282-Y284 HydrophobicContact CB-CE1 4.33Å; K282-Y284 HydrophobicContact CB-CE2 3.65Å; K282-S443 WeakPolarHBondContact CD-OG 3.3Å
283	I	95.8	Very high	93.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-116.9	110.1	174.5	-65.2	168.1	0	0	0	106.2	F276 I285 V316 Y390 M392 I441 L442 S443	F276-I283 HydrophobicContact CE2-CD1 4.3Å; F276-I283 HydrophobicContact CE2-CG1 4.4Å; F276-I283 HydrophobicContact CZ-CD1 4.2Å; F276-I283 HydrophobicContact CZ-CG1 4.15Å; I283-I285 HydrophobicContact CG2-CG2 4.02Å; I283-V316 HydrophobicContact CD1-CG1 4.05Å; I283-Y390 HydrophobicContact CB-CE1 4.46Å; I283-Y390 HydrophobicContact CG1-CD1 4.42Å; I283-Y390 HydrophobicContact CG1-CE1 4.41Å; I283-Y390 HydrophobicContact CG2-CD1 4.04Å; I283-Y390 HydrophobicContact CG2-CD2 3.76Å; I283-Y390 HydrophobicContact CG2-CE1 4.17Å; I283-Y390 HydrophobicContact CG2-CE2 3.86Å; I283-Y390 HydrophobicContact CG2-CG 3.85Å; I283-M392 HydrophobicContact CD1-SD 3.91Å; I283-M392 HydrophobicContact CG2-CE 4.36Å; I283-M392 HydrophobicContact CG2-SD 4.27Å; I283-I441 HydrophobicContact CD1-CD1 4.17Å; I283-I441 PolarHBondContact N-O 3.3Å; I283-L442 HydrophobicContact CB-CD2 3.82Å; I283-L442 HydrophobicContact CD1-CD2 4.09Å; I283-L442 HydrophobicContact CG2-CD2 3.57Å; I283-S443 PolarHBondContact O-N 3.24Å
284	Y	96.5	Very high	94.2	Very high	69 Å²	69	56.6 Å²	56.6	27%	0.271	30%	0.303	S	S	.	.			trans	-96.1	96.4	-172.1	-65.5	-85.6	0	0	0	110.3	K282 S380 N381 A384 P385 Y390	K282-Y284 HydrophobicContact CB-CD2 4.28Å; K282-Y284 HydrophobicContact CB-CE1 4.33Å; K282-Y284 HydrophobicContact CB-CE2 3.65Å; Y284-S380 CarbonylContact O-C 3.47Å; Y284-S380 WeakPolarHBondContact O-CA 3.33Å; Y284-S380 WeakPolarHBondContact O-CB 3.48Å; Y284-N381 PolarHBondContact O-N 3.21Å; Y284-A384 HydrophobicContact CD2-CB 4.38Å; Y284-A384 HydrophobicContact CG-CB 4.02Å; Y284-P385 HydrophobicContact CE2-CG 4.06Å; Y284-Y390 PolarHBondContact N-OH 3.43Å; Y284-Y390 VanDerWaalsContact N-OH 3.13Å; Y284-Y390 WeakPolarHBondContact O-CE2 3.2Å
285	I	96.4	Very high	94.6	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.015	32%	0.317	C	S	.	.			trans	-122.5	153.2	-179.7	55.1	172.3	0	0	0	109.7	I283 K290 I378 N381 Y390 L442 S443	I283-I285 HydrophobicContact CG2-CG2 4.02Å; I285-K290 HydrophobicContact CD1-CB 3.82Å; I285-K290 HydrophobicContact CD1-CG 4.22Å; I285-K290 HydrophobicContact CG1-CB 4.01Å; I285-K290 HydrophobicContact CG1-CG 4.48Å; I285-I378 HydrophobicContact CB-CG2 4.32Å; I285-I378 HydrophobicContact CG2-CB 4.46Å; I285-I378 HydrophobicContact CG2-CG2 3.67Å; I285-N381 PolarHBondContact N-ND2 3.35Å; I285-N381 PolarHBondContact O-ND2 2.93Å; I285-Y390 HydrophobicContact CG2-CD2 3.7Å; I285-Y390 HydrophobicContact CG2-CE2 3.92Å; I285-L442 HydrophobicContact CD1-CD1 4.22Å; I285-L442 HydrophobicContact CD1-CD2 3.92Å; I285-L442 HydrophobicContact CD1-CG 4.44Å; I285-L442 HydrophobicContact CG1-CD2 4.49Å; I285-S443 PolarHBondContact N-O 3.44Å
286	D	95.8	Very high	95	Very high	58 Å²	58	61.5 Å²	61.5	31%	0.31	32%	0.324	S	S	.	.			trans	-70.7	166.5	179.6	65.8	63.4	0	0	0	111.7	E288 N289 K290 N381	D286-E288 VanDerWaalsContact C-N 3.27Å; D286-E288 PolarHBondContact O-N 3.21Å; D286-E288 WeakPolarHBondContact OD1-CA 3.38Å; D286-E288 WeakPolarHBondContact OD1-CB 3.35Å; D286-E288 PolarHBondContact OD1-N 2.83Å; D286-N289 PolarHBondContact O-N 3.39Å; D286-N289 WeakPolarHBondContact OD1-CB 3.36Å; D286-N289 PolarHBondContact OD1-N 3.47Å; D286-N289 PolarHBondContact OD2-ND2 3.26Å; D286-K290 WeakPolarHBondContact O-CB 3.38Å; D286-K290 PolarHBondContact O-N 2.75Å; D286-N381 HydrophobicContact CB-CB 4.15Å
287	G	95.9	Very high	95.2	Very high	60 Å²	60	61.4 Å²	61.4	62%	0.619	32%	0.324	S	S	*	.	H	α-helix	trans	-62.8	-29.6	-176.3	0	0	0	0	0	114.4	K291	G287-K291 WeakPolarHBondContact O-CB 3.37Å; G287-K291 PolarHBondContact O-N 3.28Å; G287-K291 VanDerWaalsContact O-N 3.12Å
288	E	96.3	Very high	95.6	Very high	144 Å²	144	61.6 Å²	61.6	67%	0.673	32%	0.319	S	S	*	.	H	α-helix	trans	-74.8	-51.9	179.3	-178.4	170.8	-162.7	0	0	110.4	D286 K290 K291 M292	D286-E288 VanDerWaalsContact C-N 3.27Å; D286-E288 PolarHBondContact O-N 3.21Å; D286-E288 WeakPolarHBondContact OD1-CA 3.38Å; D286-E288 WeakPolarHBondContact OD1-CB 3.35Å; D286-E288 PolarHBondContact OD1-N 2.83Å; E288-K290 VanDerWaalsContact C-N 3.3Å; E288-K290 PolarHBondContact O-N 2.91Å; E288-K291 WeakPolarHBondContact O-CB 3.18Å; E288-K291 PolarHBondContact O-N 3.04Å; E288-K291 VanDerWaalsContact O-N 3.14Å; E288-M292 HydrophobicContact CG-SD 4.25Å; E288-M292 WeakPolarHBondContact O-CG 3.48Å; E288-M292 PolarHBondContact O-N 3.44Å
289	N	96	Very high	96	Very high	54 Å²	54	60 Å²	60	29%	0.289	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-40.7	175.7	-82.2	-43	0	0	0	111.7	D286 M292 F293 I378	D286-N289 PolarHBondContact O-N 3.39Å; D286-N289 WeakPolarHBondContact OD1-CB 3.36Å; D286-N289 PolarHBondContact OD1-N 3.47Å; D286-N289 PolarHBondContact OD2-ND2 3.26Å; N289-M292 PolarHBondContact O-N 3.05Å; N289-F293 WeakPolarHBondContact O-CB 3.35Å; N289-F293 PolarHBondContact O-N 2.87Å; N289-I378 HydrophobicContact CB-CG2 3.89Å
290	K	97.1	Very high	96.4	Very high	49 Å²	49	55.9 Å²	55.9	21%	0.213	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-47.2	173.9	-171.5	174.9	-169.1	165.4	0	112	I285 D286 E288 F293 L294 L442 S443	I285-K290 HydrophobicContact CD1-CB 3.82Å; I285-K290 HydrophobicContact CD1-CG 4.22Å; I285-K290 HydrophobicContact CG1-CB 4.01Å; I285-K290 HydrophobicContact CG1-CG 4.48Å; D286-K290 WeakPolarHBondContact O-CB 3.38Å; D286-K290 PolarHBondContact O-N 2.75Å; E288-K290 VanDerWaalsContact C-N 3.3Å; E288-K290 PolarHBondContact O-N 2.91Å; K290-F293 PolarHBondContact O-N 2.95Å; K290-L294 HydrophobicContact CG-CD1 4.08Å; K290-L294 WeakPolarHBondContact O-CB 3.35Å; K290-L294 VanDerWaalsContact O-CG 3.3Å; K290-L294 WeakPolarHBondContact O-CG 2.89Å; K290-L294 PolarHBondContact O-N 3.37Å; K290-L442 HydrophobicContact CD-CB 4.45Å; K290-L442 WeakPolarHBondContact CE-O 3.41Å; K290-L442 HydrophobicContact CG-CB 4.43Å; K290-L442 HydrophobicContact CG-CD1 4.43Å; K290-L442 PolarHBondContact NZ-O 2.89Å; K290-S443 PolarHBondContact NZ-OXT 3.36Å
291	K	97.5	Very high	96.8	Very high	152 Å²	152	53.6 Å²	53.6	66%	0.661	26%	0.26	S	S	*	.	H	α-helix	trans	-62.9	-46.8	178.3	-177.7	-176.6	174.9	-172.8	0	111.3	G287 E288 L294 E295	G287-K291 WeakPolarHBondContact O-CB 3.37Å; G287-K291 PolarHBondContact O-N 3.28Å; G287-K291 VanDerWaalsContact O-N 3.12Å; E288-K291 WeakPolarHBondContact O-CB 3.18Å; E288-K291 PolarHBondContact O-N 3.04Å; E288-K291 VanDerWaalsContact O-N 3.14Å; K291-L294 PolarHBondContact O-N 2.91Å; K291-E295 WeakPolarHBondContact O-CB 3.22Å; K291-E295 PolarHBondContact O-N 3.3Å
292	M	97	Very high	97	Very high	91 Å²	91	56.4 Å²	56.4	45%	0.448	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-42.9	178.4	-70.6	-179.1	69.1	0	0	112	E288 N289 K296	E288-M292 HydrophobicContact CG-SD 4.25Å; E288-M292 WeakPolarHBondContact O-CG 3.48Å; E288-M292 PolarHBondContact O-N 3.44Å; N289-M292 PolarHBondContact O-N 3.05Å; M292-K296 WeakPolarHBondContact O-CE 3.39Å; M292-K296 WeakPolarHBondContact O-CG 3.47Å; M292-K296 PolarHBondContact O-N 2.59Å; M292-K296 VanDerWaalsContact O-N 3.14Å
293	F	98.3	Very high	97.3	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-49	177.2	178.6	-92.9	0	0	0	111.6	L173 N289 K290 E295 K296 L297 L314 I378 M392 I438 L442	L173-F293 HydrophobicContact CD1-CD2 3.88Å; L173-F293 HydrophobicContact CD1-CE1 4.43Å; L173-F293 HydrophobicContact CD1-CE2 3.44Å; L173-F293 VanDerWaalsContact CD1-CE2 3.44Å; L173-F293 HydrophobicContact CD1-CZ 3.76Å; L173-F293 HydrophobicContact CD2-CD2 4.05Å; L173-F293 HydrophobicContact CD2-CE2 3.82Å; L173-F293 HydrophobicContact CG-CE2 4.3Å; N289-F293 WeakPolarHBondContact O-CB 3.35Å; N289-F293 PolarHBondContact O-N 2.87Å; K290-F293 PolarHBondContact O-N 2.95Å; F293-E295 VanDerWaalsContact C-N 3.35Å; F293-E295 PolarHBondContact O-N 2.79Å; F293-K296 PolarHBondContact O-N 2.7Å; F293-L297 HydrophobicContact CE1-CD2 4.11Å; F293-L297 WeakPolarHBondContact O-CB 3.47Å; F293-L297 PolarHBondContact O-N 3.17Å; F293-L314 HydrophobicContact CZ-CD1 4.16Å; F293-L314 HydrophobicContact CZ-CD2 4.13Å; F293-I378 HydrophobicContact CB-CD1 4.17Å; F293-I378 HydrophobicContact CD2-CD1 3.81Å; F293-I378 HydrophobicContact CG-CD1 4.31Å; F293-M392 HydrophobicContact CD2-CE 4.04Å; F293-M392 HydrophobicContact CE2-CB 3.71Å; F293-M392 HydrophobicContact CE2-CE 3.84Å; F293-M392 HydrophobicContact CE2-SD 4.21Å; F293-M392 HydrophobicContact CZ-CB 4.1Å; F293-M392 HydrophobicContact CZ-CE 4.22Å; F293-M392 HydrophobicContact CZ-SD 4.11Å; F293-I438 HydrophobicContact CE1-CG2 3.83Å; F293-I438 HydrophobicContact CZ-CG2 4.45Å; F293-L442 HydrophobicContact CD1-CD1 3.65Å; F293-L442 HydrophobicContact CE1-CD1 3.89Å
294	L	98.2	Very high	97.3	Very high	22 Å²	22	53.4 Å²	53.4	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-34.9	-179.9	-71	177	0	0	0	112.5	K290 K291 L297 R298 Y435 T439 L442	K290-L294 HydrophobicContact CG-CD1 4.08Å; K290-L294 WeakPolarHBondContact O-CB 3.35Å; K290-L294 VanDerWaalsContact O-CG 3.3Å; K290-L294 WeakPolarHBondContact O-CG 2.89Å; K290-L294 PolarHBondContact O-N 3.37Å; K291-L294 PolarHBondContact O-N 2.91Å; L294-L297 HydrophobicContact CD2-CD2 4.31Å; L294-L297 PolarHBondContact O-N 2.82Å; L294-R298 VanDerWaalsContact O-CB 3.31Å; L294-R298 WeakPolarHBondContact O-CB 3.2Å; L294-R298 PolarHBondContact O-N 2.79Å; L294-Y435 HydrophobicContact CD2-CE2 4.32Å; L294-T439 HydrophobicContact CD1-CG2 4.09Å; L294-L442 HydrophobicContact CD2-CD1 3.86Å; L294-L442 HydrophobicContact CG-CD1 4.13Å
295	E	98	Very high	97.2	Very high	88 Å²	88	50.6 Å²	50.6	41%	0.411	25%	0.25	S	S	.	.	H	α-helix	trans	-63.8	-43.2	174.1	-171.2	-177.2	159.4	0	0	111.8	K291 F293 R298 K299	K291-E295 WeakPolarHBondContact O-CB 3.22Å; K291-E295 PolarHBondContact O-N 3.3Å; F293-E295 VanDerWaalsContact C-N 3.35Å; F293-E295 PolarHBondContact O-N 2.79Å; E295-R298 PolarHBondContact O-N 2.86Å; E295-K299 WeakPolarHBondContact O-CG 3.41Å; E295-K299 PolarHBondContact O-N 2.98Å; E295-K299 WeakPolarHBondContact OE1-CE 3.48Å; E295-K299 IonicContact OE1-NZ 3.62Å; E295-K299 PolarHBondContact OE1-NZ 2.96Å
296	K	98.1	Very high	97.1	Very high	44 Å²	44	57.5 Å²	57.5	19%	0.191	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-52.5	174.4	-72.5	-177.1	-72.6	179	0	110.9	N171 L173 M292 F293 R298 K299 D300	N171-K296 WeakPolarHBondContact OD1-CD 3Å; L173-K296 HydrophobicContact CD1-CB 4.36Å; L173-K296 HydrophobicContact CG-CB 4.19Å; M292-K296 WeakPolarHBondContact O-CE 3.39Å; M292-K296 WeakPolarHBondContact O-CG 3.47Å; M292-K296 PolarHBondContact O-N 2.59Å; M292-K296 VanDerWaalsContact O-N 3.14Å; F293-K296 PolarHBondContact O-N 2.7Å; K296-R298 VanDerWaalsContact C-N 3.27Å; K296-R298 PolarHBondContact O-N 2.86Å; K296-K299 PolarHBondContact O-N 2.83Å; K296-K299 VanDerWaalsContact O-N 3.12Å; K296-D300 VanDerWaalsContact O-CG 3.22Å; K296-D300 PolarHBondContact O-N 3.05Å
297	L	98.5	Very high	97.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-54.4	-43.9	178.8	-171.1	67.6	0	0	0	111.7	L173 F293 L294 D300 V301 V394 F434 Y435 I438	L173-L297 HydrophobicContact CD1-CB 3.87Å; L173-L297 HydrophobicContact CD1-CD1 3.85Å; L173-L297 HydrophobicContact CD1-CG 4.48Å; F293-L297 HydrophobicContact CE1-CD2 4.11Å; F293-L297 WeakPolarHBondContact O-CB 3.47Å; F293-L297 PolarHBondContact O-N 3.17Å; L294-L297 HydrophobicContact CD2-CD2 4.31Å; L294-L297 PolarHBondContact O-N 2.82Å; L297-D300 PolarHBondContact O-N 2.74Å; L297-V301 HydrophobicContact CD1-CG1 4.21Å; L297-V301 HydrophobicContact CG-CG1 4.34Å; L297-V301 VanDerWaalsContact O-CG1 3.3Å; L297-V301 WeakPolarHBondContact O-CG1 3.38Å; L297-V301 WeakPolarHBondContact O-CG2 3.27Å; L297-V301 PolarHBondContact O-N 3.37Å; L297-V394 HydrophobicContact CD1-CG2 4.04Å; L297-F434 HydrophobicContact CD1-CE1 3.8Å; L297-Y435 HydrophobicContact CB-CD2 4.5Å; L297-Y435 HydrophobicContact CB-CE2 4.47Å; L297-Y435 HydrophobicContact CD2-CD2 3.99Å; L297-Y435 HydrophobicContact CD2-CE2 4.4Å; L297-Y435 HydrophobicContact CG-CD2 4.11Å; L297-I438 HydrophobicContact CD2-CB 3.81Å; L297-I438 HydrophobicContact CD2-CG1 4.34Å; L297-I438 HydrophobicContact CD2-CG2 3.57Å
298	R	98.2	Very high	96.9	Very high	92 Å²	92	57.6 Å²	57.6	35%	0.347	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-50.3	178.1	-171.8	-173.3	62.3	74	4.4	111.7	L294 E295 K296 D300 V301 E302 Y435	L294-R298 VanDerWaalsContact O-CB 3.31Å; L294-R298 WeakPolarHBondContact O-CB 3.2Å; L294-R298 PolarHBondContact O-N 2.79Å; E295-R298 PolarHBondContact O-N 2.86Å; K296-R298 VanDerWaalsContact C-N 3.27Å; K296-R298 PolarHBondContact O-N 2.86Å; R298-D300 VanDerWaalsContact C-N 3.33Å; R298-D300 PolarHBondContact O-N 3.31Å; R298-V301 WeakPolarHBondContact O-CG2 3.48Å; R298-V301 PolarHBondContact O-N 2.94Å; R298-E302 WeakPolarHBondContact CG-OE1 3.44Å; R298-E302 IonicContact CZ-OE1 2.74Å; R298-E302 IonicContact CZ-OE2 2.76Å; R298-E302 IonicContact NH1-OE1 2.89Å; R298-E302 PolarHBondContact NH1-OE1 3.08Å; R298-E302 IonicContact NH1-OE2 2.7Å; R298-E302 PolarHBondContact NH1-OE2 3.15Å; R298-E302 WeakPolarHBondContact O-CB 3.42Å; R298-E302 VanDerWaalsContact O-CG 3.24Å; R298-E302 WeakPolarHBondContact O-CG 3.49Å; R298-E302 PolarHBondContact O-N 2.66Å; R298-Y435 HydrophobicContact CB-CD2 4.32Å; R298-Y435 HydrophobicContact CB-CE2 3.68Å; R298-Y435 HydrophobicContact CG-CE2 4.33Å
299	K	98.4	Very high	96.7	Very high	86 Å²	86	50.8 Å²	50.8	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-62.5	-42	179.3	-69	175.3	-172.5	166.7	0	111.3	E295 K296 E302 F303	E295-K299 WeakPolarHBondContact O-CG 3.41Å; E295-K299 PolarHBondContact O-N 2.98Å; E295-K299 WeakPolarHBondContact OE1-CE 3.48Å; E295-K299 IonicContact OE1-NZ 3.62Å; E295-K299 PolarHBondContact OE1-NZ 2.96Å; K296-K299 PolarHBondContact O-N 2.83Å; K296-K299 VanDerWaalsContact O-N 3.12Å; K299-E302 PolarHBondContact O-N 2.69Å; K299-F303 WeakPolarHBondContact O-CB 3.48Å; K299-F303 PolarHBondContact O-N 2.71Å
300	D	98.4	Very high	96.3	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.011	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-46.9	-180	-66.9	-26.9	0	0	0	111.6	F164 T172 L173 L174 K296 L297 R298 F303 L304	F164-D300 VanDerWaalsContact CE1-OD1 3.29Å; F164-D300 WeakPolarHBondContact CE1-OD1 3.23Å; F164-D300 WeakPolarHBondContact CZ-OD1 3.13Å; T172-D300 VanDerWaalsContact OG1-CG 3.27Å; T172-D300 PolarHBondContact OG1-OD1 2.9Å; T172-D300 PolarHBondContact OG1-OD2 2.87Å; L173-D300 WeakPolarHBondContact CA-OD2 3.35Å; L173-D300 VanDerWaalsContact CB-OD2 3.25Å; L173-D300 WeakPolarHBondContact CB-OD2 3.21Å; L173-D300 PolarHBondContact N-OD2 2.76Å; L174-D300 HydrophobicContact CD2-CB 3.94Å; L174-D300 HydrophobicContact CG-CB 4Å; K296-D300 VanDerWaalsContact O-CG 3.22Å; K296-D300 PolarHBondContact O-N 3.05Å; L297-D300 PolarHBondContact O-N 2.74Å; R298-D300 VanDerWaalsContact C-N 3.33Å; R298-D300 PolarHBondContact O-N 3.31Å; D300-F303 WeakPolarHBondContact O-CB 3.16Å; D300-F303 PolarHBondContact O-N 2.98Å; D300-L304 WeakPolarHBondContact O-CG 3.4Å; D300-L304 PolarHBondContact O-N 3.08Å
301	V	97.3	Very high	95.8	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.036	22%	0.215	C	C	.	.	H	α-helix	trans	-72.4	-30.2	-179.4	-57.1	0	0	0	0	112.5	L297 R298 L304 A305 Y312 F434 Y435	L297-V301 HydrophobicContact CD1-CG1 4.21Å; L297-V301 HydrophobicContact CG-CG1 4.34Å; L297-V301 VanDerWaalsContact O-CG1 3.3Å; L297-V301 WeakPolarHBondContact O-CG1 3.38Å; L297-V301 WeakPolarHBondContact O-CG2 3.27Å; L297-V301 PolarHBondContact O-N 3.37Å; R298-V301 WeakPolarHBondContact O-CG2 3.48Å; R298-V301 PolarHBondContact O-N 2.94Å; V301-L304 PolarHBondContact O-N 2.86Å; V301-A305 WeakPolarHBondContact O-CB 3.27Å; V301-A305 PolarHBondContact O-N 2.71Å; V301-Y312 HydrophobicContact CG1-CE2 4.17Å; V301-F434 HydrophobicContact CG1-CD1 3.66Å; V301-F434 HydrophobicContact CG1-CE1 3.72Å; V301-Y435 HydrophobicContact CG2-CD2 4.45Å
302	E	97	Very high	95.6	Very high	85 Å²	85	40 Å²	40	40%	0.397	18%	0.184	S	C	.	.	H	α-helix	trans	-63	-45.7	170.4	-79.2	170.9	-171.4	0	0	110.8	R298 K299 A305 Q306	R298-E302 WeakPolarHBondContact CG-OE1 3.44Å; R298-E302 IonicContact CZ-OE1 2.74Å; R298-E302 IonicContact CZ-OE2 2.76Å; R298-E302 IonicContact NH1-OE1 2.89Å; R298-E302 PolarHBondContact NH1-OE1 3.08Å; R298-E302 IonicContact NH1-OE2 2.7Å; R298-E302 PolarHBondContact NH1-OE2 3.15Å; R298-E302 WeakPolarHBondContact O-CB 3.42Å; R298-E302 VanDerWaalsContact O-CG 3.24Å; R298-E302 WeakPolarHBondContact O-CG 3.49Å; R298-E302 PolarHBondContact O-N 2.66Å; K299-E302 PolarHBondContact O-N 2.69Å; E302-A305 PolarHBondContact O-N 3.4Å; E302-Q306 VanDerWaalsContact O-CG 3.31Å; E302-Q306 WeakPolarHBondContact O-CG 3.41Å; E302-Q306 PolarHBondContact O-N 2.94Å
303	F	97.9	Very high	95.5	Very high	16 Å²	16	35.7 Å²	35.7	7%	0.07	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-47.7	174.7	171.4	-102.5	0	0	0	111.8	K160 Y161 F164 L174 K299 D300 A305 Q306 L307	K160-F303 HydrophobicContact CB-CE2 4.15Å; K160-F303 HydrophobicContact CB-CZ 4.41Å; Y161-F303 HydrophobicContact CD2-CE1 4.47Å; F164-F303 HydrophobicContact CB-CD2 3.96Å; F164-F303 HydrophobicContact CB-CE2 3.7Å; F164-F303 HydrophobicContact CB-CG 4.49Å; F164-F303 HydrophobicContact CB-CZ 4.02Å; F164-F303 HydrophobicContact CD1-CD1 4.33Å; F164-F303 HydrophobicContact CD1-CG 4.39Å; F164-F303 HydrophobicContact CD2-CB 4Å; F164-F303 AromaticContact CD2-CD2 3.74Å; F164-F303 HydrophobicContact CD2-CD2 3.74Å; F164-F303 HydrophobicContact CD2-CE2 4.36Å; F164-F303 AromaticContact CD2-CG 3.85Å; F164-F303 HydrophobicContact CD2-CG 3.85Å; F164-F303 HydrophobicContact CE2-CB 3.8Å; F164-F303 HydrophobicContact CE2-CD2 4.41Å; F164-F303 HydrophobicContact CE2-CG 4.12Å; F164-F303 HydrophobicContact CG-CD1 4.31Å; F164-F303 AromaticContact CG-CD2 3.88Å; F164-F303 HydrophobicContact CG-CD2 3.88Å; F164-F303 HydrophobicContact CG-CE2 4.09Å; F164-F303 AromaticContact CG-CG 3.99Å; F164-F303 HydrophobicContact CG-CG 3.99Å; F164-F303 HydrophobicContact CG-CZ 4.39Å; F164-F303 HydrophobicContact CZ-CB 4.21Å; L174-F303 HydrophobicContact CD1-CD1 3.68Å; L174-F303 HydrophobicContact CD1-CE1 3.96Å; K299-F303 WeakPolarHBondContact O-CB 3.48Å; K299-F303 PolarHBondContact O-N 2.71Å; D300-F303 WeakPolarHBondContact O-CB 3.16Å; D300-F303 PolarHBondContact O-N 2.98Å; F303-A305 VanDerWaalsContact C-N 3.34Å; F303-A305 PolarHBondContact O-N 2.93Å; F303-Q306 PolarHBondContact O-N 2.99Å; F303-L307 HydrophobicContact CD1-CD1 4.27Å; F303-L307 HydrophobicContact CE1-CD1 3.57Å; F303-L307 HydrophobicContact CE2-CD1 3.93Å; F303-L307 HydrophobicContact CE2-CG 4.34Å; F303-L307 HydrophobicContact CZ-CD1 3.37Å; F303-L307 HydrophobicContact CZ-CG 4.25Å; F303-L307 WeakPolarHBondContact O-CG 2.96Å; F303-L307 PolarHBondContact O-N 3.48Å
304	L	96.9	Very high	95.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-40.9	177.7	-67.1	177.2	0	0	0	112.4	L174 D300 V301 L307 K308 L309 Y312 V394 I397	L174-L304 HydrophobicContact CD2-CD1 3.74Å; L174-L304 HydrophobicContact CD2-CD2 4.02Å; L174-L304 HydrophobicContact CD2-CG 3.94Å; D300-L304 WeakPolarHBondContact O-CG 3.4Å; D300-L304 PolarHBondContact O-N 3.08Å; V301-L304 PolarHBondContact O-N 2.86Å; L304-L307 CarbonylContact O-C 3.51Å; L304-L307 PolarHBondContact O-N 2.68Å; L304-K308 PolarHBondContact O-N 3.21Å; L304-L309 HydrophobicContact CB-CB 4.38Å; L304-L309 HydrophobicContact CD2-CB 4.31Å; L304-L309 HydrophobicContact CD2-CD1 3.65Å; L304-L309 PolarHBondContact O-N 2.89Å; L304-Y312 HydrophobicContact CB-CD1 4.45Å; L304-Y312 HydrophobicContact CB-CE1 3.87Å; L304-Y312 HydrophobicContact CD1-CD1 3.7Å; L304-Y312 HydrophobicContact CD1-CD2 4.02Å; L304-Y312 HydrophobicContact CD1-CE1 3.71Å; L304-Y312 HydrophobicContact CD1-CE2 4.03Å; L304-Y312 HydrophobicContact CD1-CG 3.85Å; L304-Y312 HydrophobicContact CG-CE1 4.42Å; L304-V394 HydrophobicContact CD1-CG1 4.07Å; L304-I397 HydrophobicContact CD1-CG2 4.04Å; L304-I397 HydrophobicContact CD2-CB 3.91Å; L304-I397 HydrophobicContact CD2-CD1 4.01Å; L304-I397 HydrophobicContact CD2-CG2 4.07Å
305	A	94.4	Very high	95.4	Very high	9 Å²	9	35.8 Å²	35.8	7%	0.074	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-42.2	177.3	0	0	0	0	0	112.1	V301 E302 F303 L307 K308	V301-A305 WeakPolarHBondContact O-CB 3.27Å; V301-A305 PolarHBondContact O-N 2.71Å; E302-A305 PolarHBondContact O-N 3.4Å; F303-A305 VanDerWaalsContact C-N 3.34Å; F303-A305 PolarHBondContact O-N 2.93Å; A305-L307 PolarHBondContact O-N 2.96Å; A305-K308 WeakPolarHBondContact O-CA 3.4Å; A305-K308 PolarHBondContact O-N 2.96Å
306	Q	94.8	Very high	95.4	Very high	148 Å²	148	31.6 Å²	31.6	69%	0.692	14%	0.144	S	C	*	.	H	α-helix	trans	-60.5	-30.9	175.4	-70.7	172.5	16.3	0	0	112.8	E302 F303 K308	E302-Q306 VanDerWaalsContact O-CG 3.31Å; E302-Q306 WeakPolarHBondContact O-CG 3.41Å; E302-Q306 PolarHBondContact O-N 2.94Å; F303-Q306 PolarHBondContact O-N 2.99Å; Q306-K308 VanDerWaalsContact C-N 3.29Å
307	L	94.3	Very high	95.3	Very high	14 Å²	14	29.5 Å²	29.5	7%	0.073	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1.8	174.7	-61.9	-173.1	0	0	0	113.7	I157 K160 F303 L304 A305 L309	I157-L307 HydrophobicContact CB-CD1 3.93Å; I157-L307 HydrophobicContact CG2-CD1 3.88Å; K160-L307 HydrophobicContact CB-CD2 4.16Å; K160-L307 HydrophobicContact CD-CD2 3.25Å; K160-L307 HydrophobicContact CG-CD2 4.36Å; F303-L307 HydrophobicContact CD1-CD1 4.27Å; F303-L307 HydrophobicContact CE1-CD1 3.57Å; F303-L307 HydrophobicContact CE2-CD1 3.93Å; F303-L307 HydrophobicContact CE2-CG 4.34Å; F303-L307 HydrophobicContact CZ-CD1 3.37Å; F303-L307 HydrophobicContact CZ-CG 4.25Å; F303-L307 WeakPolarHBondContact O-CG 2.96Å; F303-L307 PolarHBondContact O-N 3.48Å; L304-L307 CarbonylContact O-C 3.51Å; L304-L307 PolarHBondContact O-N 2.68Å; A305-L307 PolarHBondContact O-N 2.96Å; L307-L309 HydrophobicContact CB-CD1 3.71Å; L307-L309 HydrophobicContact CB-CG 3.71Å; L307-L309 HydrophobicContact CD1-CD1 3.77Å; L307-L309 HydrophobicContact CG-CD1 4.4Å; L307-L309 PolarHBondContact O-N 2.69Å
308	K	92.4	Very high	95.2	Very high	107 Å²	107	29.5 Å²	29.5	47%	0.465	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	32.3	-175.4	-53.9	176.4	-178.2	172.9	0	112.6	L304 A305 Q306 Y401 P427	L304-K308 PolarHBondContact O-N 3.21Å; A305-K308 WeakPolarHBondContact O-CA 3.4Å; A305-K308 PolarHBondContact O-N 2.96Å; Q306-K308 VanDerWaalsContact C-N 3.29Å; K308-Y401 WeakPolarHBondContact O-CB 3.45Å; K308-Y401 PolarHBondContact O-N 3.47Å; K308-P427 HydrophobicContact CB-CG 4.18Å
309	L	91.5	Very high	95	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-86.7	141.5	174.4	-59.4	171.3	0	0	0	109	E153 I157 L304 L307 Y312 I397 H400	E153-L309 HydrophobicContact CG-CD2 4.28Å; I157-L309 HydrophobicContact CD1-CD1 4.27Å; I157-L309 HydrophobicContact CG2-CD1 4.32Å; L304-L309 HydrophobicContact CB-CB 4.38Å; L304-L309 HydrophobicContact CD2-CB 4.31Å; L304-L309 HydrophobicContact CD2-CD1 3.65Å; L304-L309 PolarHBondContact O-N 2.89Å; L307-L309 HydrophobicContact CB-CD1 3.71Å; L307-L309 HydrophobicContact CB-CG 3.71Å; L307-L309 HydrophobicContact CD1-CD1 3.77Å; L307-L309 HydrophobicContact CG-CD1 4.4Å; L307-L309 PolarHBondContact O-N 2.69Å; L309-Y312 WeakPolarHBondContact O-CE1 3.44Å; L309-I397 WeakPolarHBondContact CD1-O 3.15Å; L309-I397 WeakPolarHBondContact CD2-O 3.36Å; L309-H400 HydrophobicContact CD2-CB 4.35Å
310	M	87.6	Confident	94.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.			trans	-144.1	-178.3	-177.7	67	178.3	-67.3	0	0	110.7	Y312 Q399 Y401 K405 Y430	M310-Y312 PolarHBondContact O-N 3.44Å; M310-Q399 PolarHBondContact N-O 2.9Å; M310-Y401 HydrophobicContact CE-CD2 4.44Å; M310-Y401 HydrophobicContact SD-CD2 3.28Å; M310-Y401 WeakPolarHBondContact SD-CD2 3.04Å; M310-Y401 HydrophobicContact SD-CE2 4.1Å; M310-Y401 HydrophobicContact SD-CG 3.94Å; M310-K405 HydrophobicContact CE-CD 4.41Å; M310-K405 HydrophobicContact SD-CD 3.61Å; M310-Y430 HydrophobicContact CB-CG 4.48Å
311	D	86.4	Confident	94.4	Very high	28 Å²	28	22.3 Å²	22.3	15%	0.15	11%	0.107	C	C	.	.			trans	59.8	16.4	175.7	-66.7	-39	0	0	0	114.6	K212 Q399 K405 Y430	K212-D311 WeakPolarHBondContact CE-O 3.37Å; K212-D311 PolarHBondContact NZ-O 2.92Å; D311-Q399 HydrophobicContact CB-CB 4.36Å; D311-Q399 PolarHBondContact OD2-OE1 2.65Å; D311-K405 IonicContact OD2-NZ 3.68Å; D311-K405 PolarHBondContact OD2-NZ 3.04Å; D311-Y430 WeakPolarHBondContact CA-OH 3.4Å
312	Y	94.2	Very high	94	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.			trans	-75.2	149.6	170.5	50.7	-97	0	0	0	111.5	V301 L304 L309 M310 V394 I395 Y430 S431 F434	V301-Y312 HydrophobicContact CG1-CE2 4.17Å; L304-Y312 HydrophobicContact CB-CD1 4.45Å; L304-Y312 HydrophobicContact CB-CE1 3.87Å; L304-Y312 HydrophobicContact CD1-CD1 3.7Å; L304-Y312 HydrophobicContact CD1-CD2 4.02Å; L304-Y312 HydrophobicContact CD1-CE1 3.71Å; L304-Y312 HydrophobicContact CD1-CE2 4.03Å; L304-Y312 HydrophobicContact CD1-CG 3.85Å; L304-Y312 HydrophobicContact CG-CE1 4.42Å; L309-Y312 WeakPolarHBondContact O-CE1 3.44Å; M310-Y312 PolarHBondContact O-N 3.44Å; Y312-V394 HydrophobicContact CD2-CG1 3.95Å; Y312-V394 HydrophobicContact CG-CG1 4.22Å; Y312-I395 WeakPolarHBondContact CA-O 3.28Å; Y312-I395 VanDerWaalsContact CB-O 3.3Å; Y312-I395 WeakPolarHBondContact CB-O 3.36Å; Y312-Y430 HydrophobicContact CD1-CD1 4.41Å; Y312-Y430 AromaticContact CD1-CE1 3.99Å; Y312-Y430 HydrophobicContact CD1-CE1 3.99Å; Y312-Y430 AromaticContact CD2-CE1 3.8Å; Y312-Y430 HydrophobicContact CD2-CE1 3.8Å; Y312-Y430 AromaticContact CE1-CD1 3.78Å; Y312-Y430 HydrophobicContact CE1-CD1 3.78Å; Y312-Y430 AromaticContact CE1-CE1 3.78Å; Y312-Y430 HydrophobicContact CE1-CE1 3.78Å; Y312-Y430 AromaticContact CE2-CD1 3.99Å; Y312-Y430 HydrophobicContact CE2-CD1 3.99Å; Y312-Y430 AromaticContact CE2-CE1 3.58Å; Y312-Y430 HydrophobicContact CE2-CE1 3.58Å; Y312-Y430 HydrophobicContact CG-CE1 4.01Å; Y312-Y430 AromaticContact CZ-CD1 3.54Å; Y312-Y430 AromaticContact CZ-CE1 3.57Å; Y312-Y430 PolarHBondContact N-OH 2.89Å; Y312-Y430 PolarHBondContact O-OH 3.13Å; Y312-S431 WeakPolarHBondContact OH-CA 3.29Å; Y312-S431 VanDerWaalsContact OH-CB 3.29Å; Y312-S431 WeakPolarHBondContact OH-CB 3.45Å; Y312-F434 HydrophobicContact CD2-CD1 4.39Å; Y312-F434 HydrophobicContact CD2-CD2 4.47Å; Y312-F434 HydrophobicContact CD2-CE1 4.17Å; Y312-F434 HydrophobicContact CD2-CE2 4.3Å; Y312-F434 HydrophobicContact CD2-CZ 4.13Å; Y312-F434 HydrophobicContact CE2-CB 4.48Å; Y312-F434 AromaticContact CE2-CD1 3.71Å; Y312-F434 HydrophobicContact CE2-CD1 3.71Å; Y312-F434 HydrophobicContact CE2-CD2 4.33Å; Y312-F434 AromaticContact CE2-CE1 3.85Å; Y312-F434 HydrophobicContact CE2-CE1 3.85Å; Y312-F434 HydrophobicContact CE2-CE2 4.49Å; Y312-F434 AromaticContact CE2-CG 3.94Å; Y312-F434 HydrophobicContact CE2-CG 3.94Å; Y312-F434 HydrophobicContact CE2-CZ 4.25Å
313	S	94.6	Very high	93.5	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	157.6	178.5	-51.2	0	0	0	0	111.1	D210 L211 K212 V394 I395	D210-S313 VanDerWaalsContact CG-CB 3.47Å; D210-S313 WeakPolarHBondContact OD1-CB 3.37Å; D210-S313 PolarHBondContact OD1-OG 2.74Å; D210-S313 WeakPolarHBondContact OD2-CB 3.46Å; D210-S313 PolarHBondContact OD2-OG 3.46Å; L211-S313 CarbonylContact O-C 3.51Å; L211-S313 VanDerWaalsContact O-CA 3.22Å; L211-S313 WeakPolarHBondContact O-CA 3.19Å; L211-S313 WeakPolarHBondContact O-CB 3.46Å; K212-S313 WeakPolarHBondContact CE-OG 3.33Å; K212-S313 WeakPolarHBondContact CG-OG 3.47Å; S313-V394 CarbonylContact O-C 3.55Å; S313-V394 VanDerWaalsContact O-CA 3.29Å; S313-V394 WeakPolarHBondContact O-CA 3.47Å; S313-I395 PolarHBondContact N-O 2.83Å; S313-I395 VanDerWaalsContact N-O 3.17Å; S313-I395 PolarHBondContact O-N 2.91Å
314	L	97.8	Very high	92.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	115.8	157	-168.8	75.9	0	0	0	107.7	L211 F293 V316 V394 F434 I438	L211-L314 HydrophobicContact CB-CB 4.43Å; L211-L314 PolarHBondContact N-O 2.86Å; L211-L314 PolarHBondContact O-N 2.99Å; F293-L314 HydrophobicContact CZ-CD1 4.16Å; F293-L314 HydrophobicContact CZ-CD2 4.13Å; L314-V316 HydrophobicContact CD2-CG2 3.79Å; L314-V316 HydrophobicContact CG-CG2 4.04Å; L314-V394 HydrophobicContact CD1-CG2 4.26Å; L314-F434 HydrophobicContact CB-CE2 4.04Å; L314-F434 HydrophobicContact CB-CZ 3.8Å; L314-I438 HydrophobicContact CB-CD1 3.94Å; L314-I438 HydrophobicContact CB-CG1 4.49Å; L314-I438 HydrophobicContact CD2-CD1 3.6Å; L314-I438 HydrophobicContact CD2-CG1 4.12Å; L314-I438 HydrophobicContact CD2-CG2 3.9Å; L314-I438 HydrophobicContact CG-CD1 4.42Å
315	L	97	Very high	92.3	Very high	26 Å²	26	30.6 Å²	30.6	14%	0.136	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125.1	168.6	-175.4	63.6	0	0	0	108.3	V198 F199 Y209 M392 A393 I395	V198-L315 HydrophobicContact CB-CD2 4.1Å; V198-L315 HydrophobicContact CG1-CD2 4.33Å; V198-L315 HydrophobicContact CG2-CD2 4.13Å; F199-L315 HydrophobicContact CE1-CD2 4.03Å; F199-L315 HydrophobicContact CE1-CG 3.95Å; F199-L315 HydrophobicContact CE2-CD2 4.16Å; F199-L315 HydrophobicContact CZ-CD1 3.92Å; F199-L315 HydrophobicContact CZ-CD2 3.58Å; F199-L315 HydrophobicContact CZ-CG 3.65Å; Y209-L315 WeakPolarHBondContact O-CA 3.44Å; L315-M392 WeakPolarHBondContact O-CA 3.34Å; L315-A393 PolarHBondContact N-O 3Å; L315-A393 PolarHBondContact O-N 3.25Å; L315-A393 VanDerWaalsContact O-N 3.13Å; L315-I395 HydrophobicContact CB-CD1 3.92Å; L315-I395 HydrophobicContact CB-CG1 4.06Å; L315-I395 HydrophobicContact CB-CG2 3.83Å; L315-I395 HydrophobicContact CD1-CD1 4.37Å; L315-I395 HydrophobicContact CD2-CD1 4.4Å; L315-I395 HydrophobicContact CD2-CG2 4.16Å; L315-I395 HydrophobicContact CG-CD1 4.47Å
316	V	97.6	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.6	178.6	-176.6	0	0	0	0	108.8	K208 Y209 L211 I283 L314 I318 F391 M392	K208-V316 CarbonylContact C-O 3.38Å; K208-V316 VanDerWaalsContact CA-O 3.29Å; K208-V316 WeakPolarHBondContact CA-O 3.31Å; Y209-V316 PolarHBondContact N-O 2.81Å; Y209-V316 PolarHBondContact O-N 3.1Å; L211-V316 HydrophobicContact CD1-CG2 3.88Å; I283-V316 HydrophobicContact CD1-CG1 4.05Å; L314-V316 HydrophobicContact CD2-CG2 3.79Å; L314-V316 HydrophobicContact CG-CG2 4.04Å; V316-I318 HydrophobicContact CG1-CG1 4.31Å; V316-F391 CarbonylContact C-O 3.52Å; V316-F391 WeakPolarHBondContact CA-O 3.22Å; V316-M392 HydrophobicContact CB-CG 4.46Å; V316-M392 HydrophobicContact CG1-CG 4.06Å; V316-M392 HydrophobicContact CG2-CG 4.15Å
317	G	96.3	Very high	90.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136	168.7	0	0	0	0	0	109.9	K207 Y390 F391	K207-G317 WeakPolarHBondContact O-CA 3.43Å; G317-Y390 WeakPolarHBondContact O-CA 3.34Å; G317-F391 PolarHBondContact N-O 2.81Å; G317-F391 PolarHBondContact O-N 3.44Å
318	I	95.8	Very high	89.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.6	177.4	-44.2	-177.8	0	0	0	108.6	V205 Y206 K207 Y209 Q281 V316 E388 Y390	V205-I318 CarbonylContact C-O 3.54Å; V205-I318 WeakPolarHBondContact CA-O 3.3Å; Y206-I318 HydrophobicContact CD1-CB 4.46Å; Y206-I318 WeakPolarHBondContact CD1-O 3.13Å; Y206-I318 HydrophobicContact CE1-CB 3.84Å; Y206-I318 HydrophobicContact CE1-CG2 3.59Å; Y206-I318 PolarHBondContact N-O 3.28Å; K207-I318 HydrophobicContact CB-CB 4.25Å; K207-I318 HydrophobicContact CB-CD1 4.39Å; K207-I318 HydrophobicContact CB-CG1 4.42Å; K207-I318 PolarHBondContact N-O 3.04Å; K207-I318 PolarHBondContact O-N 2.93Å; Y209-I318 HydrophobicContact CD2-CD1 4.42Å; Y209-I318 HydrophobicContact CE2-CD1 3.93Å; Q281-I318 HydrophobicContact CG-CD1 4.29Å; V316-I318 HydrophobicContact CG1-CG1 4.31Å; I318-E388 HydrophobicContact CG2-CB 4.2Å; I318-E388 HydrophobicContact CG2-CG 4.14Å; I318-Y390 HydrophobicContact CG1-CD1 4.22Å; I318-Y390 HydrophobicContact CG1-CE1 4.49Å; I318-Y390 HydrophobicContact CG2-CD1 4.04Å; I318-Y390 HydrophobicContact CG2-CE1 3.88Å
319	H	94.1	Very high	89.1	Confident	6 Å²	6	36 Å²	36	3%	0.028	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.3	168	170	76.4	0	0	0	108.8	L203 S204 A324 E388 V389 F391	L203-H319 HydrophobicContact CB-CB 4.37Å; S204-H319 PolarHBondContact N-ND1 3.22Å; S204-H319 WeakPolarHBondContact O-CB 3.47Å; S204-H319 PolarHBondContact O-ND1 3.41Å; H319-A324 VanDerWaalsContact CE1-CB 3.41Å; H319-A324 WeakPolarHBondContact CE1-CB 3.18Å; H319-E388 CarbonylContact O-C 3.48Å; H319-E388 WeakPolarHBondContact O-CA 3.37Å; H319-E388 WeakPolarHBondContact O-CB 3.29Å; H319-V389 HydrophobicContact CB-CB 4.28Å; H319-V389 PolarHBondContact N-O 3.38Å; H319-V389 PolarHBondContact O-N 3.45Å; H319-F391 HydrophobicContact CB-CE2 4.01Å
320	D	93	Very high	88.2	Confident	10 Å²	10	41.6 Å²	41.6	5%	0.053	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.3	176.6	-179.6	-29.9	0	0	0	107.1	Y206 E322 R323 A324 R386	Y206-D320 HydrophobicContact CD1-CB 3.65Å; Y206-D320 HydrophobicContact CE1-CB 3.5Å; Y206-D320 VanDerWaalsContact CE1-CB 3.5Å; D320-E322 PolarHBondContact OD1-N 3.3Å; D320-R323 HydrophobicContact CB-CB 3.81Å; D320-R323 VanDerWaalsContact CG-CB 3.48Å; D320-R323 WeakPolarHBondContact OD1-CB 3.33Å; D320-R323 PolarHBondContact OD1-N 3.19Å; D320-A324 WeakPolarHBondContact O-CB 3.31Å; D320-A324 PolarHBondContact O-N 3.36Å; D320-R386 WeakPolarHBondContact OD2-CD 3.42Å; D320-R386 IonicContact OD2-CZ 2.82Å; D320-R386 IonicContact OD2-NE 3.31Å; D320-R386 IonicContact OD2-NH1 3.37Å; D320-R386 PolarHBondContact OD2-NH1 3.46Å
321	V	92	Very high	87.3	Confident	12 Å²	12	43.7 Å²	43.7	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-45.9	-170.2	178.3	0	0	0	0	110.7	R323 A324 E325 P366 K387 V389	V321-R323 VanDerWaalsContact C-N 3.34Å; V321-R323 PolarHBondContact O-N 3.11Å; V321-A324 PolarHBondContact O-N 3.01Å; V321-E325 WeakPolarHBondContact O-CG 3.29Å; V321-E325 PolarHBondContact O-N 3.2Å; V321-P366 HydrophobicContact CG1-CB 3.84Å; V321-K387 HydrophobicContact CB-CB 4.13Å; V321-K387 WeakPolarHBondContact CB-O 3.45Å; V321-K387 HydrophobicContact CG2-CB 4.3Å; V321-K387 WeakPolarHBondContact CG2-O 3.4Å; V321-K387 PolarHBondContact N-O 2.92Å; V321-V389 HydrophobicContact CG2-CG2 4.41Å
322	E	89.1	Confident	86.6	Confident	86 Å²	86	48.6 Å²	48.6	40%	0.402	23%	0.234	S	C	.	.	H	α-helix	trans	-68.4	-37.3	-177.3	-63.8	177.2	-176	0	0	111.2	D320 Q326	D320-E322 PolarHBondContact OD1-N 3.3Å; E322-Q326 WeakPolarHBondContact O-CG 3.48Å; E322-Q326 PolarHBondContact O-N 2.93Å; E322-Q326 VanDerWaalsContact O-N 3.16Å
323	R	86.6	Confident	85.2	Confident	106 Å²	106	53.2 Å²	53.2	40%	0.4	26%	0.259	S	S	.	.	H	α-helix	trans	-63.8	-44	174	179.3	-179.6	169.3	163.6	-0.2	111.8	D320 V321 Q326 E327	D320-R323 HydrophobicContact CB-CB 3.81Å; D320-R323 VanDerWaalsContact CG-CB 3.48Å; D320-R323 WeakPolarHBondContact OD1-CB 3.33Å; D320-R323 PolarHBondContact OD1-N 3.19Å; V321-R323 VanDerWaalsContact C-N 3.34Å; V321-R323 PolarHBondContact O-N 3.11Å; R323-Q326 PolarHBondContact O-N 3.35Å; R323-E327 IonicContact CZ-OE1 2.93Å; R323-E327 IonicContact NE-OE1 3.14Å; R323-E327 PolarHBondContact NE-OE1 2.84Å; R323-E327 IonicContact NH2-OE1 3.55Å; R323-E327 PolarHBondContact NH2-OE1 3.24Å; R323-E327 WeakPolarHBondContact O-CG 3.48Å; R323-E327 PolarHBondContact O-N 3.49Å
324	A	84.8	Confident	83.9	Confident	9 Å²	9	55.5 Å²	55.5	7%	0.074	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-40.8	-179.6	0	0	0	0	0	111.8	H319 D320 V321 Q326 E327 E328	H319-A324 VanDerWaalsContact CE1-CB 3.41Å; H319-A324 WeakPolarHBondContact CE1-CB 3.18Å; D320-A324 WeakPolarHBondContact O-CB 3.31Å; D320-A324 PolarHBondContact O-N 3.36Å; V321-A324 PolarHBondContact O-N 3.01Å; A324-Q326 VanDerWaalsContact C-N 3.34Å; A324-Q326 PolarHBondContact O-N 3.05Å; A324-E327 PolarHBondContact O-N 2.87Å; A324-E328 WeakPolarHBondContact O-CG 3.46Å; A324-E328 PolarHBondContact O-N 2.97Å
325	E	84.2	Confident	82.4	Confident	81 Å²	81	61.4 Å²	61.4	38%	0.379	30%	0.298	S	S	.	.	H	α-helix	trans	-58.7	-43.7	173.8	-73.6	176.2	165.4	0	0	112	V321 E328 V329 P366	V321-E325 WeakPolarHBondContact O-CG 3.29Å; V321-E325 PolarHBondContact O-N 3.2Å; E325-E328 PolarHBondContact O-N 2.86Å; E325-V329 WeakPolarHBondContact O-CG2 3.47Å; E325-V329 PolarHBondContact O-N 3.04Å; E325-P366 HydrophobicContact CG-CB 3.81Å; E325-P366 HydrophobicContact CG-CG 4.02Å; E325-P366 WeakPolarHBondContact OE1-CB 3.49Å; E325-P366 WeakPolarHBondContact OE1-CG 3.46Å
326	Q	79.8	Confident	80.8	Confident	123 Å²	123	63.1 Å²	63.1	58%	0.575	32%	0.316	S	S	*	.	H	α-helix	trans	-62.5	-43.4	176.4	-70.8	167.2	19.6	0	0	111.6	E322 R323 A324 E328 V329 E330	E322-Q326 WeakPolarHBondContact O-CG 3.48Å; E322-Q326 PolarHBondContact O-N 2.93Å; E322-Q326 VanDerWaalsContact O-N 3.16Å; R323-Q326 PolarHBondContact O-N 3.35Å; A324-Q326 VanDerWaalsContact C-N 3.34Å; A324-Q326 PolarHBondContact O-N 3.05Å; Q326-E328 VanDerWaalsContact C-N 3.31Å; Q326-E328 PolarHBondContact O-N 3.39Å; Q326-V329 PolarHBondContact O-N 2.89Å; Q326-E330 WeakPolarHBondContact O-CB 3.49Å; Q326-E330 WeakPolarHBondContact O-CG 3.3Å; Q326-E330 PolarHBondContact O-N 3.23Å
327	E	77.9	Confident	78.9	Confident	66 Å²	66	70 Å²	70	31%	0.308	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-33	178	-71.6	175.4	-179.6	0	0	112.2	K260 R323 A324 T331	K260-E327 PolarHBondContact NZ-O 2.53Å; R323-E327 IonicContact CZ-OE1 2.93Å; R323-E327 IonicContact NE-OE1 3.14Å; R323-E327 PolarHBondContact NE-OE1 2.84Å; R323-E327 IonicContact NH2-OE1 3.55Å; R323-E327 PolarHBondContact NH2-OE1 3.24Å; R323-E327 WeakPolarHBondContact O-CG 3.48Å; R323-E327 PolarHBondContact O-N 3.49Å; A324-E327 PolarHBondContact O-N 2.87Å; E327-T331 PolarHBondContact O-N 2.9Å; E327-T331 PolarHBondContact O-OG1 3.27Å
328	E	75.9	Confident	77	Confident	123 Å²	123	75 Å²	75	58%	0.575	37%	0.372	S	S	*	.	H	α-helix	trans	-68.3	-51.6	174.3	-77	179	178.5	0	0	111.7	A324 E325 Q326 E330 T331 E332	A324-E328 WeakPolarHBondContact O-CG 3.46Å; A324-E328 PolarHBondContact O-N 2.97Å; E325-E328 PolarHBondContact O-N 2.86Å; Q326-E328 VanDerWaalsContact C-N 3.31Å; Q326-E328 PolarHBondContact O-N 3.39Å; E328-E330 VanDerWaalsContact C-N 3.34Å; E328-E330 PolarHBondContact O-N 3.48Å; E328-T331 WeakPolarHBondContact O-CA 3.39Å; E328-T331 VanDerWaalsContact O-CB 3.28Å; E328-T331 WeakPolarHBondContact O-CB 3.42Å; E328-T331 PolarHBondContact O-N 2.82Å; E328-E332 PolarHBondContact O-N 3.04Å; E328-E332 VanDerWaalsContact O-N 3.08Å
329	V	75.6	Confident	75.1	Confident	78 Å²	78	83 Å²	83	47%	0.473	41%	0.409	S	S	.	.	H	α-helix	trans	-59.5	-44	178.3	175.5	0	0	0	0	111.3	E325 Q326 T331 E332 D333	E325-V329 WeakPolarHBondContact O-CG2 3.47Å; E325-V329 PolarHBondContact O-N 3.04Å; Q326-V329 PolarHBondContact O-N 2.89Å; V329-T331 PolarHBondContact O-N 2.86Å; V329-E332 PolarHBondContact O-N 3.45Å; V329-D333 PolarHBondContact O-N 3.21Å
330	E	72.8	Confident	73	Confident	118 Å²	118	85.9 Å²	85.9	55%	0.551	44%	0.441	S	S	*	.	H	α-helix	trans	-60.9	-24.9	174.7	-76.2	-177.4	-178.6	0	0	112.8	Q326 E328 I334	Q326-E330 WeakPolarHBondContact O-CB 3.49Å; Q326-E330 WeakPolarHBondContact O-CG 3.3Å; Q326-E330 PolarHBondContact O-N 3.23Å; E328-E330 VanDerWaalsContact C-N 3.34Å; E328-E330 PolarHBondContact O-N 3.48Å; E330-I334 WeakPolarHBondContact O-CD1 3.49Å; E330-I334 WeakPolarHBondContact O-CG1 3.35Å
331	T	68.4	Low	70.9	Confident	45 Å²	45	91.1 Å²	91.1	28%	0.276	47%	0.465	S	S	.	.	H	α-helix	trans	-77.2	-46.9	175.7	-46.5	0	0	0	0	111	K260 E327 E328 V329 D333 I334 E335	K260-T331 WeakPolarHBondContact CE-OG1 3.28Å; K260-T331 PolarHBondContact NZ-OG1 2.69Å; E327-T331 PolarHBondContact O-N 2.9Å; E327-T331 PolarHBondContact O-OG1 3.27Å; E328-T331 WeakPolarHBondContact O-CA 3.39Å; E328-T331 VanDerWaalsContact O-CB 3.28Å; E328-T331 WeakPolarHBondContact O-CB 3.42Å; E328-T331 PolarHBondContact O-N 2.82Å; V329-T331 PolarHBondContact O-N 2.86Å; T331-D333 VanDerWaalsContact C-N 3.31Å; T331-D333 PolarHBondContact O-N 2.89Å; T331-I334 PolarHBondContact O-N 2.92Å; T331-E335 PolarHBondContact O-N 3.4Å
332	E	71.6	Confident	68.5	Low	130 Å²	130	95.8 Å²	95.8	61%	0.607	50%	0.498	S	S	*	.	H	α-helix	trans	-60.7	-41.1	-179.9	-66.9	-176	172.1	0	0	111.6	E328 V329 I334 E335 A336	E328-E332 PolarHBondContact O-N 3.04Å; E328-E332 VanDerWaalsContact O-N 3.08Å; V329-E332 PolarHBondContact O-N 3.45Å; E332-I334 VanDerWaalsContact C-N 3.32Å; E332-I334 PolarHBondContact O-N 3.01Å; E332-E335 PolarHBondContact O-N 3.27Å; E332-A336 WeakPolarHBondContact O-CB 3.48Å; E332-A336 PolarHBondContact O-N 2.86Å
333	D	65	Low	66.3	Low	97 Å²	97	99.8 Å²	99.8	52%	0.519	52%	0.522	S	S	.	.	H	α-helix	trans	-61.4	-40	176.9	-75.1	-22	0	0	0	111.9	V329 T331 E337	V329-D333 PolarHBondContact O-N 3.21Å; T331-D333 VanDerWaalsContact C-N 3.31Å; T331-D333 PolarHBondContact O-N 2.89Å; D333-E337 WeakPolarHBondContact O-CG 3.22Å; D333-E337 PolarHBondContact O-N 2.85Å; D333-E337 VanDerWaalsContact O-N 3.07Å
334	I	65.9	Low	64	Low	50 Å²	50	98.1 Å²	98.1	26%	0.256	54%	0.538	S	S	.	.	H	α-helix	trans	-69.9	-41.9	179	-66.2	167.6	0	0	0	111.2	C257 E330 T331 E332 A336 E337 E338	C257-I334 VanDerWaalsContact SG-CG2 3.5Å; E330-I334 WeakPolarHBondContact O-CD1 3.49Å; E330-I334 WeakPolarHBondContact O-CG1 3.35Å; T331-I334 PolarHBondContact O-N 2.92Å; E332-I334 VanDerWaalsContact C-N 3.32Å; E332-I334 PolarHBondContact O-N 3.01Å; I334-A336 VanDerWaalsContact C-N 3.35Å; I334-E337 PolarHBondContact O-N 2.81Å; I334-E338 PolarHBondContact O-N 3.45Å; I334-E338 VanDerWaalsContact O-N 3.15Å
335	E	67.3	Low	61.6	Low	123 Å²	123	101.2 Å²	101.2	58%	0.575	57%	0.57	S	S	*	*	H	α-helix	trans	-64.3	-40.7	177.2	-70.8	-177.6	-178.8	0	0	111.3	T331 E332 E337 E338 E339	T331-E335 PolarHBondContact O-N 3.4Å; E332-E335 PolarHBondContact O-N 3.27Å; E335-E337 PolarHBondContact O-N 3.18Å; E335-E338 PolarHBondContact O-N 2.97Å; E335-E339 PolarHBondContact O-N 3.1Å; E335-E339 VanDerWaalsContact O-N 3.15Å
336	A	63	Low	59.6	Low	63 Å²	63	104.4 Å²	104.4	52%	0.521	60%	0.595	S	S	.	*	H	α-helix	trans	-64.8	-36.8	176.1	0	0	0	0	0	112.9	E332 I334 E339 G340	E332-A336 WeakPolarHBondContact O-CB 3.48Å; E332-A336 PolarHBondContact O-N 2.86Å; I334-A336 VanDerWaalsContact C-N 3.35Å; A336-E339 PolarHBondContact O-N 3.43Å; A336-G340 PolarHBondContact O-N 2.97Å; A336-G340 VanDerWaalsContact O-N 3.13Å
337	E	57.7	Low	57.5	Low	143 Å²	143	105.9 Å²	105.9	67%	0.668	61%	0.605	S	S	*	*	H	α-helix	trans	-66.9	-32.9	173.8	-76.2	-172.4	176.9	0	0	112.7	D333 I334 E335	D333-E337 WeakPolarHBondContact O-CG 3.22Å; D333-E337 PolarHBondContact O-N 2.85Å; D333-E337 VanDerWaalsContact O-N 3.07Å; I334-E337 PolarHBondContact O-N 2.81Å; E335-E337 PolarHBondContact O-N 3.18Å
338	E	57.8	Low	55.9	Low	107 Å²	107	106.1 Å²	106.1	50%	0.5	63%	0.626	S	S	.	*	H	α-helix	trans	-72	-34.4	175.2	-73.2	-158.7	155.6	0	0	112.9	I334 E335	I334-E338 PolarHBondContact O-N 3.45Å; I334-E338 VanDerWaalsContact O-N 3.15Å; E335-E338 PolarHBondContact O-N 2.97Å
339	E	54.7	Low	54.3	Low	166 Å²	166	106.4 Å²	106.4	78%	0.776	64%	0.636	S	S	*	*	H	α-helix	trans	-74.3	-28.6	175.6	-67.6	-165	163.5	0	0	113	E335 A336 E341	E335-E339 PolarHBondContact O-N 3.1Å; E335-E339 VanDerWaalsContact O-N 3.15Å; A336-E339 PolarHBondContact O-N 3.43Å; E339-E341 PolarHBondContact O-N 3.31Å
340	G	51.2	Low	52.6	Low	67 Å²	67	108.3 Å²	108.3	69%	0.691	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-10.8	-178.4	0	0	0	0	0	116.4	A336	A336-G340 PolarHBondContact O-N 2.97Å; A336-G340 VanDerWaalsContact O-N 3.13Å
341	E	47.3	Very low	51.5	Low	120 Å²	120	108.4 Å²	108.4	56%	0.561	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	9.1	-179.8	-75.7	-161.9	137.2	0	0	114.5	R250 E339 D343	R250-E341 IonicContact CZ-OE1 3.02Å; R250-E341 IonicContact CZ-OE2 2.86Å; R250-E341 IonicContact NE-OE1 3.78Å; R250-E341 IonicContact NE-OE2 3.76Å; R250-E341 PolarHBondContact NE-OE2 3.41Å; R250-E341 IonicContact NH2-OE1 2.73Å; R250-E341 PolarHBondContact NH2-OE1 3.07Å; R250-E341 IonicContact NH2-OE2 2.68Å; R250-E341 PolarHBondContact NH2-OE2 3.34Å; E339-E341 PolarHBondContact O-N 3.31Å; E341-D343 PolarHBondContact O-N 3.5Å
342	S	41.8	Very low	50.3	Low	111 Å²	111	113.8 Å²	113.8	78%	0.776	69%	0.688	S	S	*	*			trans	-87.5	84.4	171.8	-164.3	0	0	0	0	111.6
343	D	42.7	Very low	48.7	Very low	170 Å²	170	113 Å²	113	91%	0.909	70%	0.697	S	S	*	*			trans	-92.2	118.3	162.3	-170.3	24.6	0	0	0	110.2	E341	E341-D343 PolarHBondContact O-N 3.5Å
344	G	39.1	Very low	47.5	Very low	70 Å²	70	114.5 Å²	114.5	72%	0.722	71%	0.712	S	S	*	*	S	Bend	trans	128.3	74.1	158.9	0	0	0	0	0	117.3
345	G	33.3	Very low	46	Very low	74 Å²	74	117 Å²	117	76%	0.763	73%	0.734	S	S	*	*			trans	162.3	77.4	159.8	0	0	0	0	0	116.1	I347	G345-I347 PolarHBondContact O-N 3.03Å
346	V	44	Very low	44.4	Very low	148 Å²	148	118.7 Å²	118.7	90%	0.897	75%	0.747	S	S	*	*			trans	-64.6	104.6	167	178.5	0	0	0	0	109.5
347	I	35.7	Very low	43.2	Very low	154 Å²	154	121.4 Å²	121.4	79%	0.79	76%	0.757	S	S	*	*			trans	-131.2	106.6	153.5	-59.9	-178.9	0	0	0	106.6	G345 T349	G345-I347 PolarHBondContact O-N 3.03Å; I347-T349 PolarHBondContact O-N 3.18Å
348	G	42.3	Very low	42.4	Very low	71 Å²	71	121.9 Å²	121.9	73%	0.732	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-61.1	127.1	177.1	0	0	0	0	0	111.1
349	T	43.6	Very low	41.4	Very low	129 Å²	129	123.6 Å²	123.6	79%	0.791	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-101.2	144.6	161.5	43.7	0	0	0	0	109.1	I347	I347-T349 PolarHBondContact O-N 3.18Å
350	P	39.8	Very low	40.6	Very low	118 Å²	118	121.8 Å²	121.8	77%	0.766	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-72.5	151.5	-168.2	-11.6	27.8	0	0	0	112.3	D352	P350-D352 PolarHBondContact O-N 2.78Å
351	P	48.6	Very low	40.4	Very low	120 Å²	120	123.7 Å²	123.7	78%	0.779	78%	0.78	S	S	*	*	S	Bend	trans	-83	96.7	175.7	33.1	-26.3	0	0	0	108.1
352	D	44.1	Very low	40.5	Very low	158 Å²	158	127 Å²	127	85%	0.845	79%	0.793	S	S	*	*			trans	-171.9	90.2	158.2	-90.8	-31.8	0	0	0	109.4	P350	P350-D352 PolarHBondContact O-N 2.78Å
353	S	38.8	Very low	41.6	Very low	114 Å²	114	127.7 Å²	127.7	80%	0.797	80%	0.795	S	S	*	*			trans	-136.8	112.8	155.6	-74.4	0	0	0	0	106.9	S355	S353-S355 PolarHBondContact O-N 2.74Å
354	P	38.3	Very low	43.1	Very low	129 Å²	129	123.3 Å²	123.3	84%	0.838	77%	0.771	S	S	*	*			trans	-66.3	122.3	-178.4	25.4	-29.6	0	0	0	108.4	N356	P354-N356 PolarHBondContact O-N 2.98Å
355	S	35.1	Very low	45.2	Very low	103 Å²	103	123.1 Å²	123.1	72%	0.72	76%	0.758	S	S	*	*			trans	-46.5	127	165.5	-79.6	0	0	0	0	109	S353 T357	S353-S355 PolarHBondContact O-N 2.74Å; S355-T357 VanDerWaalsContact C-N 3.27Å; S355-T357 PolarHBondContact O-N 2.93Å
356	N	32.6	Very low	47.6	Very low	157 Å²	157	123.2 Å²	123.2	84%	0.84	75%	0.745	S	S	*	*			trans	-61.4	92.5	171.1	-117.2	-8.3	0	0	0	108.2	P354 L358	P354-N356 PolarHBondContact O-N 2.98Å; N356-L358 PolarHBondContact O-N 3.29Å
357	T	39.1	Very low	49.4	Very low	120 Å²	120	116.6 Å²	116.6	74%	0.736	71%	0.707	S	S	*	*			trans	-77.2	73.7	171.3	51.6	0	0	0	0	109.1	S355	S355-T357 VanDerWaalsContact C-N 3.27Å; S355-T357 PolarHBondContact O-N 2.93Å
358	L	41.3	Very low	52.1	Low	154 Å²	154	112.6 Å²	112.6	81%	0.806	69%	0.685	S	S	*	*			trans	-141.4	62.6	165.7	-78.3	172.6	0	0	0	109.3	N356	N356-L358 PolarHBondContact O-N 3.29Å
359	D	36.8	Very low	54.5	Low	143 Å²	143	110.4 Å²	110.4	77%	0.765	66%	0.655	S	S	*	*			trans	-170.8	98.8	133	-110.8	-22.9	0	0	0	108.4	T361	D359-T361 PolarHBondContact O-N 3.18Å; D359-T361 VanDerWaalsContact O-N 3.12Å
360	S	37.3	Very low	56.8	Low	128 Å²	128	107 Å²	107	90%	0.895	63%	0.632	S	S	*	*			trans	-84.3	61.5	171.4	-70.3	0	0	0	0	109.9
361	T	47.9	Very low	59.3	Low	107 Å²	107	105.6 Å²	105.6	66%	0.656	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-102.7	116.5	156.6	51.4	0	0	0	0	106.4	D359	D359-T361 PolarHBondContact O-N 3.18Å; D359-T361 VanDerWaalsContact O-N 3.12Å
362	K	48.1	Very low	61.2	Low	189 Å²	189	104.5 Å²	104.5	82%	0.822	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-47.1	137.9	168.9	-75.2	179.8	177.1	179.3	0	108.4	L364	K362-L364 PolarHBondContact O-N 3.14Å
363	P	64.8	Low	63.4	Low	126 Å²	126	98.5 Å²	98.5	82%	0.818	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-53.7	122.5	173.3	11.3	-16.8	0	0	0	108.1	S365	P363-S365 PolarHBondContact O-N 3.23Å
364	L	75.6	Confident	66	Low	77 Å²	77	93.7 Å²	93.7	40%	0.403	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-58.7	134.2	175.8	-75.4	170.7	0	0	0	107.7	R202 K362 E368	R202-L364 VanDerWaalsContact NH1-CD1 3.29Å; K362-L364 PolarHBondContact O-N 3.14Å; L364-E368 HydrophobicContact CB-CB 3.97Å; L364-E368 HydrophobicContact CD2-CB 4.08Å
365	S	81.3	Confident	68.7	Low	67 Å²	67	89.8 Å²	89.8	47%	0.469	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-63.8	162	177.7	50.3	0	0	0	0	111.1	P363 G367 E368	P363-S365 PolarHBondContact O-N 3.23Å; S365-G367 PolarHBondContact O-N 3.08Å; S365-E368 VanDerWaalsContact O-CB 3.25Å; S365-E368 WeakPolarHBondContact O-CB 3.35Å; S365-E368 PolarHBondContact O-N 3.46Å; S365-E368 WeakPolarHBondContact OG-CG 3.34Å
366	P	83.8	Confident	71.7	Confident	75 Å²	75	85.3 Å²	85.3	49%	0.487	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	132.9	179.5	-29.6	38.3	0	0	0	112.6	V321 E325 E368	V321-P366 HydrophobicContact CG1-CB 3.84Å; E325-P366 HydrophobicContact CG-CB 3.81Å; E325-P366 HydrophobicContact CG-CG 4.02Å; E325-P366 WeakPolarHBondContact OE1-CB 3.49Å; E325-P366 WeakPolarHBondContact OE1-CG 3.46Å; P366-E368 PolarHBondContact O-N 2.97Å
367	G	83.4	Confident	74.8	Confident	9 Å²	9	78.6 Å²	78.6	9%	0.093	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	-0	-175.7	0	0	0	0	0	116	S365	S365-G367 PolarHBondContact O-N 3.08Å
368	E	91.9	Very high	77.6	Confident	70 Å²	70	73.6 Å²	73.6	33%	0.327	42%	0.424	S	S	.	.			trans	-82.2	141.8	170.3	-70.7	-65.4	156.6	0	0	111.9	L364 S365 P366 K379	L364-E368 HydrophobicContact CB-CB 3.97Å; L364-E368 HydrophobicContact CD2-CB 4.08Å; S365-E368 VanDerWaalsContact O-CB 3.25Å; S365-E368 WeakPolarHBondContact O-CB 3.35Å; S365-E368 PolarHBondContact O-N 3.46Å; S365-E368 WeakPolarHBondContact OG-CG 3.34Å; P366-E368 PolarHBondContact O-N 2.97Å; E368-K379 IonicContact OE1-NZ 3.98Å; E368-K379 PolarHBondContact OE1-NZ 2.91Å; E368-K379 IonicContact OE2-NZ 2.97Å; E368-K379 PolarHBondContact OE2-NZ 3.48Å
369	F	92.8	Very high	80.2	Confident	25 Å²	25	69.9 Å²	69.9	11%	0.11	40%	0.401	C	S	.	.			trans	-139.9	158.3	177.9	57.3	-95.3	0	0	0	110.4	L203 P371 D374 A377 K379 V389	L203-F369 HydrophobicContact CD1-CB 4.03Å; L203-F369 HydrophobicContact CD1-CD1 4.13Å; F369-P371 HydrophobicContact CE2-CB 4.38Å; F369-P371 WeakPolarHBondContact O-CD 3.37Å; F369-D374 HydrophobicContact CB-CB 4.3Å; F369-D374 HydrophobicContact CD2-CB 4.27Å; F369-A377 HydrophobicContact CD1-CB 4.12Å; F369-A377 HydrophobicContact CD2-CB 3.64Å; F369-A377 HydrophobicContact CE1-CB 3.86Å; F369-A377 HydrophobicContact CE2-CB 3.38Å; F369-A377 HydrophobicContact CG-CB 4.01Å; F369-A377 HydrophobicContact CZ-CB 3.49Å; F369-A377 VanDerWaalsContact CZ-CB 3.49Å; F369-K379 HydrophobicContact CE1-CD 4.35Å; F369-K379 HydrophobicContact CE1-CG 3.59Å; F369-K379 HydrophobicContact CZ-CG 4.11Å; F369-V389 HydrophobicContact CD1-CG1 3.79Å; F369-V389 HydrophobicContact CD1-CG2 4.3Å; F369-V389 HydrophobicContact CE1-CG1 3.59Å; F369-V389 HydrophobicContact CE1-CG2 4.24Å
370	D	91.8	Very high	83	Confident	58 Å²	58	64 Å²	64	31%	0.31	37%	0.371	S	S	.	.			trans	-86.8	112.2	173	-176.3	-19.4	0	0	0	109.3	T372 I373 D374	D370-T372 PolarHBondContact O-N 3.24Å; D370-T372 VanDerWaalsContact O-N 3.13Å; D370-T372 WeakPolarHBondContact OD1-CB 3.47Å; D370-T372 WeakPolarHBondContact OD1-CG2 3.19Å; D370-T372 PolarHBondContact OD1-N 3.24Å; D370-T372 PolarHBondContact OD1-OG1 3.34Å; D370-T372 PolarHBondContact OD2-OG1 3.3Å; D370-I373 HydrophobicContact CB-CB 4.33Å; D370-I373 HydrophobicContact CB-CD1 4.07Å; D370-I373 HydrophobicContact CB-CG1 4.24Å; D370-I373 PolarHBondContact O-N 3.26Å; D370-D374 PolarHBondContact O-N 2.99Å
371	P	91.4	Very high	85.7	Confident	88 Å²	88	59.2 Å²	59.2	57%	0.571	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.3	-178.1	29.1	-35.9	0	0	0	113.6	F369	F369-P371 HydrophobicContact CE2-CB 4.38Å; F369-P371 WeakPolarHBondContact O-CD 3.37Å
372	T	89.2	Confident	87.8	Confident	98 Å²	98	62.6 Å²	62.6	60%	0.601	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-23.6	174.2	73	0	0	0	0	112.5	D370 V375	D370-T372 PolarHBondContact O-N 3.24Å; D370-T372 VanDerWaalsContact O-N 3.13Å; D370-T372 WeakPolarHBondContact OD1-CB 3.47Å; D370-T372 WeakPolarHBondContact OD1-CG2 3.19Å; D370-T372 PolarHBondContact OD1-N 3.24Å; D370-T372 PolarHBondContact OD1-OG1 3.34Å; D370-T372 PolarHBondContact OD2-OG1 3.3Å; T372-V375 WeakPolarHBondContact O-CG1 3.39Å
373	I	89.9	Confident	89.7	Confident	32 Å²	32	58.5 Å²	58.5	16%	0.164	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-54.7	177.3	-58.4	170.9	0	0	0	109.6	R196 D370 V375	R196-I373 PolarHBondContact NH1-O 3.21Å; D370-I373 HydrophobicContact CB-CB 4.33Å; D370-I373 HydrophobicContact CB-CD1 4.07Å; D370-I373 HydrophobicContact CB-CG1 4.24Å; D370-I373 PolarHBondContact O-N 3.26Å; I373-V375 VanDerWaalsContact C-N 3.27Å; I373-V375 PolarHBondContact O-N 3.39Å; I373-V375 VanDerWaalsContact O-N 3.16Å
374	D	93.5	Very high	91	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.064	31%	0.312	C	S	.	.	S	Bend	trans	-92.1	57.4	-176.8	-61.6	-22.4	0	0	0	110	S200 H201 F369 D370 Y376 A377 F391	S200-D374 WeakPolarHBondContact CA-OD1 3.49Å; S200-D374 VanDerWaalsContact CB-OD2 3.29Å; S200-D374 WeakPolarHBondContact CB-OD2 3.42Å; S200-D374 VanDerWaalsContact OG-CG 3.27Å; S200-D374 PolarHBondContact OG-OD1 2.74Å; S200-D374 PolarHBondContact OG-OD2 2.83Å; H201-D374 IonicContact CE1-OD1 2.69Å; H201-D374 IonicContact ND1-OD1 3.82Å; H201-D374 PolarHBondContact ND1-OD1 2.94Å; H201-D374 IonicContact ND1-OD2 2.86Å; F369-D374 HydrophobicContact CB-CB 4.3Å; F369-D374 HydrophobicContact CD2-CB 4.27Å; D370-D374 PolarHBondContact O-N 2.99Å; D374-Y376 PolarHBondContact O-N 2.9Å; D374-A377 HydrophobicContact CB-CB 4.19Å; D374-A377 WeakPolarHBondContact O-CB 3.19Å; D374-A377 PolarHBondContact O-N 3.07Å; D374-F391 HydrophobicContact CB-CE1 4.28Å
375	V	96	Very high	91.8	Very high	48 Å²	48	54.3 Å²	54.3	29%	0.291	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.8	-169	-56.5	0	0	0	0	115.6	T372 I373	T372-V375 WeakPolarHBondContact O-CG1 3.39Å; I373-V375 VanDerWaalsContact C-N 3.27Å; I373-V375 PolarHBondContact O-N 3.39Å; I373-V375 VanDerWaalsContact O-N 3.16Å
376	Y	97.3	Very high	92.2	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.035	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	2.3	-179.4	-58.9	-68.5	0	0	0	113.4	L174 Q176 V198 D374 F391 M392 A393	L174-Y376 PolarHBondContact O-OH 3.49Å; Q176-Y376 WeakPolarHBondContact CG-OH 3.23Å; V198-Y376 HydrophobicContact CB-CD2 4.46Å; V198-Y376 HydrophobicContact CG1-CD2 4.47Å; D374-Y376 PolarHBondContact O-N 2.9Å; Y376-F391 WeakPolarHBondContact O-CA 3.37Å; Y376-M392 PolarHBondContact O-N 3.39Å; Y376-M392 VanDerWaalsContact O-N 3.1Å; Y376-A393 HydrophobicContact CD1-CB 3.61Å; Y376-A393 HydrophobicContact CD2-CB 4.37Å; Y376-A393 HydrophobicContact CE1-CB 3.66Å; Y376-A393 HydrophobicContact CE2-CB 4.4Å; Y376-A393 HydrophobicContact CG-CB 3.96Å
377	A	97.4	Very high	92.7	Very high	16 Å²	16	59.8 Å²	59.8	13%	0.132	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	138.4	-174.8	0	0	0	0	0	112.5	F369 D374 V389 Y390 F391	F369-A377 HydrophobicContact CD1-CB 4.12Å; F369-A377 HydrophobicContact CD2-CB 3.64Å; F369-A377 HydrophobicContact CE1-CB 3.86Å; F369-A377 HydrophobicContact CE2-CB 3.38Å; F369-A377 HydrophobicContact CG-CB 4.01Å; F369-A377 HydrophobicContact CZ-CB 3.49Å; F369-A377 VanDerWaalsContact CZ-CB 3.49Å; D374-A377 HydrophobicContact CB-CB 4.19Å; D374-A377 WeakPolarHBondContact O-CB 3.19Å; D374-A377 PolarHBondContact O-N 3.07Å; A377-V389 HydrophobicContact CB-CG1 4.07Å; A377-Y390 CarbonylContact C-O 3.46Å; A377-Y390 VanDerWaalsContact CA-O 3.27Å; A377-Y390 WeakPolarHBondContact CA-O 3.41Å; A377-F391 HydrophobicContact CB-CD1 3.78Å; A377-F391 HydrophobicContact CB-CE1 3.51Å; A377-F391 HydrophobicContact CB-CZ 4.37Å
378	I	97.3	Very high	93.3	Very high	15 Å²	15	60 Å²	60	8%	0.077	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.1	174.5	-53.2	-175.5	0	0	0	108.2	I285 N289 F293 Y390 M392	I285-I378 HydrophobicContact CB-CG2 4.32Å; I285-I378 HydrophobicContact CG2-CB 4.46Å; I285-I378 HydrophobicContact CG2-CG2 3.67Å; N289-I378 HydrophobicContact CB-CG2 3.89Å; F293-I378 HydrophobicContact CB-CD1 4.17Å; F293-I378 HydrophobicContact CD2-CD1 3.81Å; F293-I378 HydrophobicContact CG-CD1 4.31Å; I378-Y390 PolarHBondContact N-O 3.17Å; I378-Y390 PolarHBondContact O-N 3.07Å; I378-M392 HydrophobicContact CD1-CE 3.75Å; I378-M392 HydrophobicContact CG1-CE 4.39Å
379	K	96.8	Very high	93.6	Very high	76 Å²	76	56.7 Å²	56.7	33%	0.33	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	149.3	176.4	-68.3	-173.2	-179.7	169.9	0	111.1	E368 F369 V389	E368-K379 IonicContact OE1-NZ 3.98Å; E368-K379 PolarHBondContact OE1-NZ 2.91Å; E368-K379 IonicContact OE2-NZ 2.97Å; E368-K379 PolarHBondContact OE2-NZ 3.48Å; F369-K379 HydrophobicContact CE1-CD 4.35Å; F369-K379 HydrophobicContact CE1-CG 3.59Å; F369-K379 HydrophobicContact CZ-CG 4.11Å; K379-V389 HydrophobicContact CG-CG2 4.47Å
380	S	95.8	Very high	93.8	Very high	20 Å²	20	55.5 Å²	55.5	14%	0.14	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-65.3	151.7	169.5	66.2	0	0	0	0	111.5	Y284 E388	Y284-S380 CarbonylContact O-C 3.47Å; Y284-S380 WeakPolarHBondContact O-CA 3.33Å; Y284-S380 WeakPolarHBondContact O-CB 3.48Å; S380-E388 WeakPolarHBondContact CB-O 3.46Å; S380-E388 PolarHBondContact N-O 3.27Å; S380-E388 PolarHBondContact OG-N 3.37Å; S380-E388 PolarHBondContact OG-O 2.82Å
381	N	94.5	Very high	94.1	Very high	26 Å²	26	52.8 Å²	52.8	14%	0.139	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-71.4	162.2	171.6	68.4	52	0	0	0	111.9	Y284 I285 D286 S383 A384	Y284-N381 PolarHBondContact O-N 3.21Å; I285-N381 PolarHBondContact N-ND2 3.35Å; I285-N381 PolarHBondContact O-ND2 2.93Å; D286-N381 HydrophobicContact CB-CB 4.15Å; N381-S383 PolarHBondContact O-N 3.03Å; N381-S383 VanDerWaalsContact O-N 3.17Å; N381-S383 WeakPolarHBondContact OD1-CA 3.25Å; N381-S383 PolarHBondContact OD1-N 3.06Å; N381-S383 PolarHBondContact OD1-OG 3.04Å; N381-A384 WeakPolarHBondContact O-CB 3.19Å; N381-A384 PolarHBondContact O-N 3.34Å; N381-A384 PolarHBondContact OD1-N 3.43Å
382	D	90.4	Very high	94.5	Very high	179 Å²	179	48.6 Å²	48.6	96%	0.957	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.4	-176.9	-64.5	-28.8	0	0	0	114.2	A384	D382-A384 VanDerWaalsContact C-N 3.33Å
383	S	89.9	Confident	94.9	Very high	102 Å²	102	43.9 Å²	43.9	71%	0.713	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-0.9	177.2	63.6	0	0	0	0	113.6	N381	N381-S383 PolarHBondContact O-N 3.03Å; N381-S383 VanDerWaalsContact O-N 3.17Å; N381-S383 WeakPolarHBondContact OD1-CA 3.25Å; N381-S383 PolarHBondContact OD1-N 3.06Å; N381-S383 PolarHBondContact OD1-OG 3.04Å
384	A	91.8	Very high	95.3	Very high	17 Å²	17	42.4 Å²	42.4	14%	0.14	23%	0.228	C	C	.	.	S	Bend	trans	-63.6	142.8	179.4	0	0	0	0	0	110.5	Y284 N381 D382 R386	Y284-A384 HydrophobicContact CD2-CB 4.38Å; Y284-A384 HydrophobicContact CG-CB 4.02Å; N381-A384 WeakPolarHBondContact O-CB 3.19Å; N381-A384 PolarHBondContact O-N 3.34Å; N381-A384 PolarHBondContact OD1-N 3.43Å; D382-A384 VanDerWaalsContact C-N 3.33Å; A384-R386 VanDerWaalsContact CB-O 3.29Å; A384-R386 WeakPolarHBondContact CB-O 3.23Å; A384-R386 PolarHBondContact O-N 2.9Å; A384-R386 VanDerWaalsContact O-N 3.13Å
385	P	90.8	Very high	95.4	Very high	99 Å²	99	42.6 Å²	42.6	64%	0.643	23%	0.228	S	C	*	.	S	Bend	trans	-60.8	-22.6	176.9	-23.1	33.3	0	0	0	113.9	Y284	Y284-P385 HydrophobicContact CE2-CG 4.06Å
386	R	91.3	Very high	95.1	Very high	120 Å²	120	43.5 Å²	43.5	45%	0.453	23%	0.232	S	C	.	.	S	Bend	trans	-140.3	149.5	179.2	-65.6	-178.6	178.2	-163.5	-6.9	109.2	D320 A384 E388	D320-R386 WeakPolarHBondContact OD2-CD 3.42Å; D320-R386 IonicContact OD2-CZ 2.82Å; D320-R386 IonicContact OD2-NE 3.31Å; D320-R386 IonicContact OD2-NH1 3.37Å; D320-R386 PolarHBondContact OD2-NH1 3.46Å; A384-R386 VanDerWaalsContact CB-O 3.29Å; A384-R386 WeakPolarHBondContact CB-O 3.23Å; A384-R386 PolarHBondContact O-N 2.9Å; A384-R386 VanDerWaalsContact O-N 3.13Å; R386-E388 HydrophobicContact CB-CG 3.97Å; R386-E388 PolarHBondContact O-N 3.09Å
387	K	94.1	Very high	94.9	Very high	137 Å²	137	43.1 Å²	43.1	60%	0.596	23%	0.23	S	C	*	.			trans	-77.3	108.8	169.3	-69.3	-179.7	-178.5	174.3	0	109.2	V321	V321-K387 HydrophobicContact CB-CB 4.13Å; V321-K387 WeakPolarHBondContact CB-O 3.45Å; V321-K387 HydrophobicContact CG2-CB 4.3Å; V321-K387 WeakPolarHBondContact CG2-O 3.4Å; V321-K387 PolarHBondContact N-O 2.92Å
388	E	95.9	Very high	94.5	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.056	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	153.6	-175.4	-67	177	163.6	0	0	111.4	Y206 I318 H319 S380 R386 Y390	Y206-E388 PolarHBondContact OH-OE1 2.82Å; I318-E388 HydrophobicContact CG2-CB 4.2Å; I318-E388 HydrophobicContact CG2-CG 4.14Å; H319-E388 CarbonylContact O-C 3.48Å; H319-E388 WeakPolarHBondContact O-CA 3.37Å; H319-E388 WeakPolarHBondContact O-CB 3.29Å; S380-E388 WeakPolarHBondContact CB-O 3.46Å; S380-E388 PolarHBondContact N-O 3.27Å; S380-E388 PolarHBondContact OG-N 3.37Å; S380-E388 PolarHBondContact OG-O 2.82Å; R386-E388 HydrophobicContact CB-CG 3.97Å; R386-E388 PolarHBondContact O-N 3.09Å; E388-Y390 HydrophobicContact CB-CE1 4.03Å; E388-Y390 HydrophobicContact CB-CE2 4.48Å; E388-Y390 WeakPolarHBondContact OE2-CE1 3.44Å; E388-Y390 PolarHBondContact OE2-OH 2.86Å
389	V	97.5	Very high	93.9	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.1	166.2	-178.1	0	0	0	0	108.4	L203 H319 V321 F369 A377 K379 F391	L203-V389 HydrophobicContact CD1-CB 4.3Å; L203-V389 HydrophobicContact CD1-CG1 4.25Å; L203-V389 HydrophobicContact CD1-CG2 4.12Å; H319-V389 HydrophobicContact CB-CB 4.28Å; H319-V389 PolarHBondContact N-O 3.38Å; H319-V389 PolarHBondContact O-N 3.45Å; V321-V389 HydrophobicContact CG2-CG2 4.41Å; F369-V389 HydrophobicContact CD1-CG1 3.79Å; F369-V389 HydrophobicContact CD1-CG2 4.3Å; F369-V389 HydrophobicContact CE1-CG1 3.59Å; F369-V389 HydrophobicContact CE1-CG2 4.24Å; A377-V389 HydrophobicContact CB-CG1 4.07Å; K379-V389 HydrophobicContact CG-CG2 4.47Å; V389-F391 HydrophobicContact CB-CE2 4.42Å; V389-F391 HydrophobicContact CB-CZ 4.49Å; V389-F391 HydrophobicContact CG1-CE1 4.27Å; V389-F391 HydrophobicContact CG1-CE2 4.01Å; V389-F391 HydrophobicContact CG1-CZ 3.74Å
390	Y	98.1	Very high	93.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.1	-179.4	-53.1	-68.5	0	0	0	110.7	I283 Y284 I285 G317 I318 A377 I378 E388	I283-Y390 HydrophobicContact CB-CE1 4.46Å; I283-Y390 HydrophobicContact CG1-CD1 4.42Å; I283-Y390 HydrophobicContact CG1-CE1 4.41Å; I283-Y390 HydrophobicContact CG2-CD1 4.04Å; I283-Y390 HydrophobicContact CG2-CD2 3.76Å; I283-Y390 HydrophobicContact CG2-CE1 4.17Å; I283-Y390 HydrophobicContact CG2-CE2 3.86Å; I283-Y390 HydrophobicContact CG2-CG 3.85Å; Y284-Y390 PolarHBondContact N-OH 3.43Å; Y284-Y390 VanDerWaalsContact N-OH 3.13Å; Y284-Y390 WeakPolarHBondContact O-CE2 3.2Å; I285-Y390 HydrophobicContact CG2-CD2 3.7Å; I285-Y390 HydrophobicContact CG2-CE2 3.92Å; G317-Y390 WeakPolarHBondContact O-CA 3.34Å; I318-Y390 HydrophobicContact CG1-CD1 4.22Å; I318-Y390 HydrophobicContact CG1-CE1 4.49Å; I318-Y390 HydrophobicContact CG2-CD1 4.04Å; I318-Y390 HydrophobicContact CG2-CE1 3.88Å; A377-Y390 CarbonylContact C-O 3.46Å; A377-Y390 VanDerWaalsContact CA-O 3.27Å; A377-Y390 WeakPolarHBondContact CA-O 3.41Å; I378-Y390 PolarHBondContact N-O 3.17Å; I378-Y390 PolarHBondContact O-N 3.07Å; E388-Y390 HydrophobicContact CB-CE1 4.03Å; E388-Y390 HydrophobicContact CB-CE2 4.48Å; E388-Y390 WeakPolarHBondContact OE2-CE1 3.44Å; E388-Y390 PolarHBondContact OE2-OH 2.86Å
391	F	98.2	Very high	92.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.7	172.9	-60.2	-81.8	0	0	0	109	V198 F199 S200 L203 V205 V316 G317 H319 D374 Y376 A377 V389	V198-F391 HydrophobicContact CG1-CB 4.45Å; F199-F391 HydrophobicContact CD1-CB 3.84Å; F199-F391 HydrophobicContact CD1-CG 4.43Å; S200-F391 VanDerWaalsContact CB-CE1 3.45Å; L203-F391 HydrophobicContact CB-CE2 4.35Å; L203-F391 HydrophobicContact CB-CZ 4Å; L203-F391 HydrophobicContact CD1-CZ 4.11Å; V205-F391 HydrophobicContact CG2-CD2 3.97Å; V205-F391 HydrophobicContact CG2-CE2 4.31Å; V316-F391 CarbonylContact C-O 3.52Å; V316-F391 WeakPolarHBondContact CA-O 3.22Å; G317-F391 PolarHBondContact N-O 2.81Å; G317-F391 PolarHBondContact O-N 3.44Å; H319-F391 HydrophobicContact CB-CE2 4.01Å; D374-F391 HydrophobicContact CB-CE1 4.28Å; Y376-F391 WeakPolarHBondContact O-CA 3.37Å; A377-F391 HydrophobicContact CB-CD1 3.78Å; A377-F391 HydrophobicContact CB-CE1 3.51Å; A377-F391 HydrophobicContact CB-CZ 4.37Å; V389-F391 HydrophobicContact CB-CE2 4.42Å; V389-F391 HydrophobicContact CB-CZ 4.49Å; V389-F391 HydrophobicContact CG1-CE1 4.27Å; V389-F391 HydrophobicContact CG1-CE2 4.01Å; V389-F391 HydrophobicContact CG1-CZ 3.74Å
392	M	98.4	Very high	90.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.6	-170.9	-63.5	-175.8	-71.9	0	0	112.2	I283 F293 L315 V316 Y376 I378 L442	I283-M392 HydrophobicContact CD1-SD 3.91Å; I283-M392 HydrophobicContact CG2-CE 4.36Å; I283-M392 HydrophobicContact CG2-SD 4.27Å; F293-M392 HydrophobicContact CD2-CE 4.04Å; F293-M392 HydrophobicContact CE2-CB 3.71Å; F293-M392 HydrophobicContact CE2-CE 3.84Å; F293-M392 HydrophobicContact CE2-SD 4.21Å; F293-M392 HydrophobicContact CZ-CB 4.1Å; F293-M392 HydrophobicContact CZ-CE 4.22Å; F293-M392 HydrophobicContact CZ-SD 4.11Å; L315-M392 WeakPolarHBondContact O-CA 3.34Å; V316-M392 HydrophobicContact CB-CG 4.46Å; V316-M392 HydrophobicContact CG1-CG 4.06Å; V316-M392 HydrophobicContact CG2-CG 4.15Å; Y376-M392 PolarHBondContact O-N 3.39Å; Y376-M392 VanDerWaalsContact O-N 3.1Å; I378-M392 HydrophobicContact CD1-CE 3.75Å; I378-M392 HydrophobicContact CG1-CE 4.39Å; M392-L442 HydrophobicContact SD-CD2 4.41Å
393	A	98.2	Very high	89.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.9	176.8	0	0	0	0	0	112	V198 L315 Y376	V198-A393 HydrophobicContact CB-CB 4.2Å; V198-A393 HydrophobicContact CG1-CB 3.59Å; V198-A393 HydrophobicContact CG2-CB 3.57Å; L315-A393 PolarHBondContact N-O 3Å; L315-A393 PolarHBondContact O-N 3.25Å; L315-A393 VanDerWaalsContact O-N 3.13Å; Y376-A393 HydrophobicContact CD1-CB 3.61Å; Y376-A393 HydrophobicContact CD2-CB 4.37Å; Y376-A393 HydrophobicContact CE1-CB 3.66Å; Y376-A393 HydrophobicContact CE2-CB 4.4Å; Y376-A393 HydrophobicContact CG-CB 3.96Å
394	V	98	Very high	88	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133.8	172	-177.9	0	0	0	0	109.1	L173 L174 P175 L297 L304 Y312 S313 L314 I397 F434	L173-V394 HydrophobicContact CB-CG2 4.17Å; L173-V394 PolarHBondContact O-N 3.09Å; L174-V394 HydrophobicContact CD2-CB 4.25Å; L174-V394 HydrophobicContact CD2-CG1 4.29Å; P175-V394 WeakPolarHBondContact CD-O 3.28Å; P175-V394 VanDerWaalsContact CG-O 3.32Å; P175-V394 WeakPolarHBondContact CG-O 3.13Å; L297-V394 HydrophobicContact CD1-CG2 4.04Å; L304-V394 HydrophobicContact CD1-CG1 4.07Å; Y312-V394 HydrophobicContact CD2-CG1 3.95Å; Y312-V394 HydrophobicContact CG-CG1 4.22Å; S313-V394 CarbonylContact O-C 3.55Å; S313-V394 VanDerWaalsContact O-CA 3.29Å; S313-V394 WeakPolarHBondContact O-CA 3.47Å; L314-V394 HydrophobicContact CD1-CG2 4.26Å; V394-I397 HydrophobicContact CG1-CG2 3.74Å; V394-F434 HydrophobicContact CG2-CZ 4.43Å
395	I	95.1	Very high	86.7	Confident	16 Å²	16	46.8 Å²	46.8	8%	0.082	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	165.7	-179.5	62.6	160.7	0	0	0	112.1	V198 Y312 S313 L315 I397	V198-I395 HydrophobicContact CG2-CG2 4.29Å; Y312-I395 WeakPolarHBondContact CA-O 3.28Å; Y312-I395 VanDerWaalsContact CB-O 3.3Å; Y312-I395 WeakPolarHBondContact CB-O 3.36Å; S313-I395 PolarHBondContact N-O 2.83Å; S313-I395 VanDerWaalsContact N-O 3.17Å; S313-I395 PolarHBondContact O-N 2.91Å; L315-I395 HydrophobicContact CB-CD1 3.92Å; L315-I395 HydrophobicContact CB-CG1 4.06Å; L315-I395 HydrophobicContact CB-CG2 3.83Å; L315-I395 HydrophobicContact CD1-CD1 4.37Å; L315-I395 HydrophobicContact CD2-CD1 4.4Å; L315-I395 HydrophobicContact CD2-CG2 4.16Å; L315-I395 HydrophobicContact CG-CD1 4.47Å; I395-I397 PolarHBondContact O-N 2.79Å
396	D	90.3	Very high	85.2	Confident	67 Å²	67	46.9 Å²	46.9	36%	0.358	23%	0.225	S	C	.	.			trans	56.4	50.8	172.1	-61.7	-5.1	0	0	0	114.1	K144	K144-D396 IonicContact NZ-OD1 3.2Å; K144-D396 PolarHBondContact NZ-OD1 3.27Å
397	I	94	Very high	83.6	Confident	1 Å²	1	44 Å²	44	1%	0.005	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	0.6	-173.1	68	163.9	0	0	0	115.3	L174 P175 F177 L304 L309 V394 I395 Q399	L174-I397 HydrophobicContact CD2-CG2 4.45Å; P175-I397 HydrophobicContact CG-CD1 4.4Å; P175-I397 HydrophobicContact CG-CG1 4.27Å; P175-I397 HydrophobicContact CG-CG2 4.4Å; F177-I397 HydrophobicContact CE2-CD1 3.91Å; F177-I397 HydrophobicContact CE2-CG1 4.46Å; F177-I397 HydrophobicContact CZ-CD1 3.89Å; F177-I397 HydrophobicContact CZ-CG1 3.95Å; L304-I397 HydrophobicContact CD1-CG2 4.04Å; L304-I397 HydrophobicContact CD2-CB 3.91Å; L304-I397 HydrophobicContact CD2-CD1 4.01Å; L304-I397 HydrophobicContact CD2-CG2 4.07Å; L309-I397 WeakPolarHBondContact CD1-O 3.15Å; L309-I397 WeakPolarHBondContact CD2-O 3.36Å; V394-I397 HydrophobicContact CG1-CG2 3.74Å; I395-I397 PolarHBondContact O-N 2.79Å; I397-Q399 VanDerWaalsContact C-N 3.28Å; I397-Q399 PolarHBondContact O-N 2.88Å
398	L	88.8	Confident	82.1	Confident	19 Å²	19	39.4 Å²	39.4	10%	0.099	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	6	-173.7	-64.1	178.4	0	0	0	114.1	D150 E153 M154 I157 H400	D150-L398 HydrophobicContact CB-CB 4.44Å; D150-L398 HydrophobicContact CB-CD1 3.95Å; E153-L398 WeakPolarHBondContact CG-O 3.38Å; M154-L398 HydrophobicContact CB-CD2 4.21Å; M154-L398 HydrophobicContact CE-CD1 4.28Å; M154-L398 HydrophobicContact CE-CD2 3.82Å; I157-L398 HydrophobicContact CD1-CD2 3.72Å; L398-H400 PolarHBondContact O-N 2.72Å
399	Q	84.4	Confident	80.3	Confident	77 Å²	77	40.8 Å²	40.8	36%	0.36	22%	0.221	S	C	.	.			trans	-86.6	97.7	-179.6	-60.1	-165.3	9	0	0	111.8	M310 D311 I397	M310-Q399 PolarHBondContact N-O 2.9Å; D311-Q399 HydrophobicContact CB-CB 4.36Å; D311-Q399 PolarHBondContact OD2-OE1 2.65Å; I397-Q399 VanDerWaalsContact C-N 3.28Å; I397-Q399 PolarHBondContact O-N 2.88Å
400	H	82.1	Confident	78.5	Confident	68 Å²	68	43.3 Å²	43.3	32%	0.315	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-74.4	143.4	176.1	-175.3	-92.9	0	0	0	113	E153 L309 L398 D402	E153-H400 HydrophobicContact CG-CB 4.11Å; E153-H400 IonicContact OE1-CD2 3.96Å; E153-H400 PolarHBondContact OE1-CD2 3.11Å; E153-H400 IonicContact OE1-CG 3.89Å; E153-H400 IonicContact OE2-CG 2.78Å; L309-H400 HydrophobicContact CD2-CB 4.35Å; L398-H400 PolarHBondContact O-N 2.72Å; H400-D402 PolarHBondContact O-N 3.26Å; H400-D402 VanDerWaalsContact O-N 3.11Å
401	Y	75.5	Confident	76.7	Confident	14 Å²	14	46.4 Å²	46.4	6%	0.055	27%	0.267	C	S	.	.			trans	-79.2	89.5	174.1	-173.9	-124.8	0	0	0	111.7	K308 M310 K405 K406 P427	K308-Y401 WeakPolarHBondContact O-CB 3.45Å; K308-Y401 PolarHBondContact O-N 3.47Å; M310-Y401 HydrophobicContact CE-CD2 4.44Å; M310-Y401 HydrophobicContact SD-CD2 3.28Å; M310-Y401 WeakPolarHBondContact SD-CD2 3.04Å; M310-Y401 HydrophobicContact SD-CE2 4.1Å; M310-Y401 HydrophobicContact SD-CG 3.94Å; Y401-K405 HydrophobicContact CD2-CB 3.47Å; Y401-K405 VanDerWaalsContact CD2-CB 3.47Å; Y401-K405 HydrophobicContact CD2-CD 4.17Å; Y401-K405 HydrophobicContact CD2-CG 4.46Å; Y401-K405 HydrophobicContact CE2-CB 3.55Å; Y401-K406 HydrophobicContact CD1-CG 4.05Å; Y401-K406 HydrophobicContact CE1-CD 4.25Å; Y401-K406 HydrophobicContact CE1-CG 3.38Å; Y401-K406 HydrophobicContact CE2-CG 4.31Å; Y401-K406 WeakPolarHBondContact OH-CA 3.38Å; Y401-P427 HydrophobicContact CD1-CG 4.07Å; Y401-P427 HydrophobicContact CG-CG 4.1Å
402	D	67.1	Low	75.1	Confident	61 Å²	61	50 Å²	50	33%	0.326	28%	0.283	S	S	.	.			trans	-85.7	176.4	-177.9	83.3	-12.5	0	0	0	114.3	H400 K404 K405 K406	H400-D402 PolarHBondContact O-N 3.26Å; H400-D402 VanDerWaalsContact O-N 3.11Å; D402-K404 VanDerWaalsContact C-N 3.26Å; D402-K404 PolarHBondContact O-N 2.85Å; D402-K404 WeakPolarHBondContact OD1-CB 3.41Å; D402-K404 PolarHBondContact OD1-N 2.85Å; D402-K404 VanDerWaalsContact OD1-N 3.08Å; D402-K405 PolarHBondContact O-N 3.3Å; D402-K405 WeakPolarHBondContact OD1-CG 3.24Å; D402-K405 PolarHBondContact OD1-N 3.44Å; D402-K406 WeakPolarHBondContact O-CG 3.42Å; D402-K406 PolarHBondContact O-N 2.85Å
403	A	56.5	Low	73.3	Confident	77 Å²	77	51.9 Å²	51.9	64%	0.636	29%	0.294	S	S	*	.	H	α-helix	trans	-62.8	-28.7	179.2	0	0	0	0	0	113.6	K406 A407	A403-K406 PolarHBondContact O-N 2.97Å; A403-A407 PolarHBondContact O-N 3.15Å
404	K	63	Low	71.7	Confident	167 Å²	167	58.1 Å²	58.1	73%	0.726	33%	0.332	S	S	*	.	H	α-helix	trans	-68.9	-42	175.7	-65	176.4	179.7	173.3	0	110.5	D402 A407 A408	D402-K404 VanDerWaalsContact C-N 3.26Å; D402-K404 PolarHBondContact O-N 2.85Å; D402-K404 WeakPolarHBondContact OD1-CB 3.41Å; D402-K404 PolarHBondContact OD1-N 2.85Å; D402-K404 VanDerWaalsContact OD1-N 3.08Å; K404-A407 PolarHBondContact O-N 3.31Å; K404-A408 WeakPolarHBondContact O-CB 3.42Å; K404-A408 PolarHBondContact O-N 3.42Å
405	K	63	Low	70	Confident	46 Å²	46	66.1 Å²	66.1	20%	0.2	37%	0.367	C	S	.	.	H	α-helix	trans	-67.6	-33.8	174	-68.2	-168	-179.1	-172.1	0	112.1	M310 D311 Y401 D402 A408 H409	M310-K405 HydrophobicContact CE-CD 4.41Å; M310-K405 HydrophobicContact SD-CD 3.61Å; D311-K405 IonicContact OD2-NZ 3.68Å; D311-K405 PolarHBondContact OD2-NZ 3.04Å; Y401-K405 HydrophobicContact CD2-CB 3.47Å; Y401-K405 VanDerWaalsContact CD2-CB 3.47Å; Y401-K405 HydrophobicContact CD2-CD 4.17Å; Y401-K405 HydrophobicContact CD2-CG 4.46Å; Y401-K405 HydrophobicContact CE2-CB 3.55Å; D402-K405 PolarHBondContact O-N 3.3Å; D402-K405 WeakPolarHBondContact OD1-CG 3.24Å; D402-K405 PolarHBondContact OD1-N 3.44Å; K405-A408 PolarHBondContact O-N 2.95Å; K405-H409 WeakPolarHBondContact O-CB 3.48Å; K405-H409 PolarHBondContact O-N 3.19Å
406	K	58.9	Low	68.3	Low	101 Å²	101	70.5 Å²	70.5	44%	0.439	39%	0.387	S	S	.	.	H	α-helix	trans	-62.4	-45.3	170.6	-70.8	175.3	-173	178.9	0	112.6	Y401 D402 A403 H409 A410	Y401-K406 HydrophobicContact CD1-CG 4.05Å; Y401-K406 HydrophobicContact CE1-CD 4.25Å; Y401-K406 HydrophobicContact CE1-CG 3.38Å; Y401-K406 HydrophobicContact CE2-CG 4.31Å; Y401-K406 WeakPolarHBondContact OH-CA 3.38Å; D402-K406 WeakPolarHBondContact O-CG 3.42Å; D402-K406 PolarHBondContact O-N 2.85Å; A403-K406 PolarHBondContact O-N 2.97Å; K406-H409 PolarHBondContact O-N 3.1Å; K406-A410 WeakPolarHBondContact O-CB 3.48Å; K406-A410 PolarHBondContact O-N 3.46Å
407	A	59.1	Low	66.4	Low	60 Å²	60	69 Å²	69	50%	0.496	39%	0.387	S	S	.	.	H	α-helix	trans	-65.4	-41.8	176.2	0	0	0	0	0	111.8	A403 K404 A410 A411	A403-A407 PolarHBondContact O-N 3.15Å; K404-A407 PolarHBondContact O-N 3.31Å; A407-A410 PolarHBondContact O-N 3.06Å; A407-A411 WeakPolarHBondContact O-CB 3.44Å; A407-A411 PolarHBondContact O-N 3.45Å
408	A	61.8	Low	64.3	Low	40 Å²	40	74 Å²	74	33%	0.331	43%	0.428	S	S	.	.	H	α-helix	trans	-63	-41.4	175.3	0	0	0	0	0	112.3	K404 K405 K412 T424	K404-A408 WeakPolarHBondContact O-CB 3.42Å; K404-A408 PolarHBondContact O-N 3.42Å; K405-A408 PolarHBondContact O-N 2.95Å; A408-K412 WeakPolarHBondContact O-CB 3.49Å; A408-K412 VanDerWaalsContact O-CG 3.32Å; A408-K412 WeakPolarHBondContact O-CG 3.36Å; A408-K412 PolarHBondContact O-N 2.88Å; A408-T424 HydrophobicContact CB-CG2 4.46Å
409	H	59.4	Low	62.4	Low	41 Å²	41	76.9 Å²	76.9	19%	0.19	46%	0.463	C	S	.	.	H	α-helix	trans	-61.5	-53.6	173.3	176.9	-128.1	0	0	0	110.9	K405 K406 A411 K412 T413 T424	K405-H409 WeakPolarHBondContact O-CB 3.48Å; K405-H409 PolarHBondContact O-N 3.19Å; K406-H409 PolarHBondContact O-N 3.1Å; H409-A411 VanDerWaalsContact C-N 3.29Å; H409-A411 PolarHBondContact O-N 3.17Å; H409-K412 PolarHBondContact O-N 3.48Å; H409-T413 PolarHBondContact CD2-OG1 3.34Å; H409-T413 PolarHBondContact NE2-OG1 2.96Å; H409-T413 PolarHBondContact O-N 3.17Å; H409-T413 PolarHBondContact O-OG1 2.95Å; H409-T424 WeakPolarHBondContact CA-OG1 3.43Å; H409-T424 WeakPolarHBondContact CB-O 3.38Å; H409-T424 PolarHBondContact CD2-O 3.02Å
410	A	59.4	Low	60.7	Low	55 Å²	55	75.2 Å²	75.2	46%	0.455	46%	0.462	S	S	.	.	H	α-helix	trans	-54.4	-45.4	179.1	0	0	0	0	0	112	K406 A407 K412 T413 V414	K406-A410 WeakPolarHBondContact O-CB 3.48Å; K406-A410 PolarHBondContact O-N 3.46Å; A407-A410 PolarHBondContact O-N 3.06Å; A410-K412 PolarHBondContact O-N 3.21Å; A410-T413 PolarHBondContact O-N 2.91Å; A410-V414 VanDerWaalsContact O-CG2 3.25Å; A410-V414 WeakPolarHBondContact O-CG2 3.49Å; A410-V414 PolarHBondContact O-N 3.11Å; A410-V414 VanDerWaalsContact O-N 3.08Å
411	A	60.3	Low	59.3	Low	65 Å²	65	77.5 Å²	77.5	54%	0.537	47%	0.473	S	S	.	.	H	α-helix	trans	-63.6	-40.6	176.9	0	0	0	0	0	112.9	A407 H409 K415	A407-A411 WeakPolarHBondContact O-CB 3.44Å; A407-A411 PolarHBondContact O-N 3.45Å; H409-A411 VanDerWaalsContact C-N 3.29Å; H409-A411 PolarHBondContact O-N 3.17Å; A411-K415 PolarHBondContact O-N 2.9Å
412	K	63.9	Low	58.2	Low	75 Å²	75	77.5 Å²	77.5	33%	0.326	47%	0.474	S	S	.	.	H	α-helix	trans	-71.5	-36.9	178.7	-74.6	-178.4	-171.2	173.8	0	112.6	A408 H409 A410 K415 H416 I422 S423	A408-K412 WeakPolarHBondContact O-CB 3.49Å; A408-K412 VanDerWaalsContact O-CG 3.32Å; A408-K412 WeakPolarHBondContact O-CG 3.36Å; A408-K412 PolarHBondContact O-N 2.88Å; H409-K412 PolarHBondContact O-N 3.48Å; A410-K412 PolarHBondContact O-N 3.21Å; K412-K415 PolarHBondContact O-N 2.86Å; K412-H416 PolarHBondContact O-N 2.71Å; K412-H416 PolarHBondContact O-ND1 3.32Å; K412-I422 HydrophobicContact CB-CD1 4.25Å; K412-I422 HydrophobicContact CB-CG1 4.42Å; K412-I422 HydrophobicContact CB-CG2 3.67Å; K412-I422 HydrophobicContact CD-CG2 3.56Å; K412-I422 HydrophobicContact CG-CG2 4.28Å; K412-S423 PolarHBondContact NZ-OG 2.86Å
413	T	59.6	Low	57.4	Low	40 Å²	40	77.4 Å²	77.4	25%	0.245	48%	0.478	C	S	.	.	H	α-helix	trans	-64.5	-41.1	175.3	-52.3	0	0	0	0	111.3	H409 A410 K415 G417	H409-T413 PolarHBondContact CD2-OG1 3.34Å; H409-T413 PolarHBondContact NE2-OG1 2.96Å; H409-T413 PolarHBondContact O-N 3.17Å; H409-T413 PolarHBondContact O-OG1 2.95Å; A410-T413 PolarHBondContact O-N 2.91Å; T413-K415 VanDerWaalsContact C-N 3.26Å; T413-K415 PolarHBondContact O-N 3.4Å; T413-G417 CarbonylContact O-C 3.59Å; T413-G417 WeakPolarHBondContact O-CA 3.34Å; T413-G417 PolarHBondContact O-N 3.29Å
414	V	65.8	Low	57.3	Low	130 Å²	130	74.4 Å²	74.4	79%	0.788	45%	0.452	S	S	*	.	H	α-helix	trans	-63.1	-34.8	174.2	171.2	0	0	0	0	111.4	A410	A410-V414 VanDerWaalsContact O-CG2 3.25Å; A410-V414 WeakPolarHBondContact O-CG2 3.49Å; A410-V414 PolarHBondContact O-N 3.11Å; A410-V414 VanDerWaalsContact O-N 3.08Å
415	K	62.8	Low	57.4	Low	168 Å²	168	67.3 Å²	67.3	73%	0.73	42%	0.422	S	S	*	.	H	α-helix	trans	-81.6	-35.3	-177.8	-173.6	174.4	175.4	-177.9	0	114.6	A411 K412 T413	A411-K415 PolarHBondContact O-N 2.9Å; K412-K415 PolarHBondContact O-N 2.86Å; T413-K415 VanDerWaalsContact C-N 3.26Å; T413-K415 PolarHBondContact O-N 3.4Å
416	H	59	Low	58.3	Low	108 Å²	108	68.1 Å²	68.1	50%	0.5	43%	0.429	S	S	.	.	H	α-helix	trans	-115.6	0.3	-171.5	-54	86.9	0	0	0	114.2	K412 A420	K412-H416 PolarHBondContact O-N 2.71Å; K412-H416 PolarHBondContact O-ND1 3.32Å; H416-A420 HydrophobicContact CB-CB 3.63Å
417	G	50.5	Low	59.6	Low	36 Å²	36	63.4 Å²	63.4	37%	0.371	41%	0.409	S	S	.	.			trans	84.3	160.8	-178.3	0	0	0	0	0	113.4	T413 G419 A420	T413-G417 CarbonylContact O-C 3.59Å; T413-G417 WeakPolarHBondContact O-CA 3.34Å; T413-G417 PolarHBondContact O-N 3.29Å; G417-G419 PolarHBondContact O-N 3.38Å; G417-G419 VanDerWaalsContact O-N 3.09Å; G417-A420 PolarHBondContact O-N 3.08Å
418	A	50.1	Low	61	Low	105 Å²	105	65.2 Å²	65.2	87%	0.868	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-8.7	-173.2	0	0	0	0	0	115.2
419	G	48.2	Very low	62.3	Low	81 Å²	81	68.3 Å²	68.3	84%	0.835	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	4.7	-177	0	0	0	0	0	115.6	G417	G417-G419 PolarHBondContact O-N 3.38Å; G417-G419 VanDerWaalsContact O-N 3.09Å
420	A	49.6	Very low	63.7	Low	41 Å²	41	66.4 Å²	66.4	34%	0.339	41%	0.406	S	S	.	.	S	Bend	trans	-75.9	138.8	176.7	0	0	0	0	0	111.3	H416 G417 I422	H416-A420 HydrophobicContact CB-CB 3.63Å; G417-A420 PolarHBondContact O-N 3.08Å; A420-I422 VanDerWaalsContact C-N 3.31Å; A420-I422 HydrophobicContact CB-CD1 4.46Å; A420-I422 HydrophobicContact CB-CG1 4.11Å; A420-I422 WeakPolarHBondContact O-CG1 3.28Å; A420-I422 PolarHBondContact O-N 3.03Å
421	E	51.2	Low	65.3	Low	117 Å²	117	64.5 Å²	64.5	55%	0.547	39%	0.389	S	S	.	.			trans	-66.2	88.5	169.4	-73.4	-165.6	166.2	0	0	110.1	T215	T215-E421 PolarHBondContact OG1-OE2 3.27Å; T215-E421 VanDerWaalsContact OG1-OE2 3.04Å
422	I	54	Low	66.9	Low	14 Å²	14	67.5 Å²	67.5	7%	0.072	39%	0.39	C	S	.	.			trans	-89.1	140.4	-178.5	-64	160.8	0	0	0	109.4	K412 A420 T424 V425	K412-I422 HydrophobicContact CB-CD1 4.25Å; K412-I422 HydrophobicContact CB-CG1 4.42Å; K412-I422 HydrophobicContact CB-CG2 3.67Å; K412-I422 HydrophobicContact CD-CG2 3.56Å; K412-I422 HydrophobicContact CG-CG2 4.28Å; A420-I422 VanDerWaalsContact C-N 3.31Å; A420-I422 HydrophobicContact CB-CD1 4.46Å; A420-I422 HydrophobicContact CB-CG1 4.11Å; A420-I422 WeakPolarHBondContact O-CG1 3.28Å; A420-I422 PolarHBondContact O-N 3.03Å; I422-T424 WeakPolarHBondContact CG2-OG1 3.48Å; I422-T424 PolarHBondContact O-N 3.22Å; I422-V425 WeakPolarHBondContact O-CG1 3.37Å
423	S	49.7	Very low	68.3	Low	58 Å²	58	65.8 Å²	65.8	41%	0.406	38%	0.381	S	S	.	.	S	Bend	trans	-64.2	-29.1	179.7	88.7	0	0	0	0	113.3	K412	K412-S423 PolarHBondContact NZ-OG 2.86Å
424	T	54.9	Low	70.1	Confident	15 Å²	15	63.9 Å²	63.9	9%	0.092	37%	0.37	C	S	.	.	S	Bend	trans	-100	86.6	177.9	49	0	0	0	0	108.3	A408 H409 I422	A408-T424 HydrophobicContact CB-CG2 4.46Å; H409-T424 WeakPolarHBondContact CA-OG1 3.43Å; H409-T424 WeakPolarHBondContact CB-O 3.38Å; H409-T424 PolarHBondContact CD2-O 3.02Å; I422-T424 WeakPolarHBondContact CG2-OG1 3.48Å; I422-T424 PolarHBondContact O-N 3.22Å
425	V	65.2	Low	71.5	Confident	17 Å²	17	60.8 Å²	60.8	10%	0.103	34%	0.344	C	S	.	.			trans	-105.2	157.7	176.2	-84.1	0	0	0	0	110.3	I422 Q429 Y430	I422-V425 WeakPolarHBondContact O-CG1 3.37Å; V425-Q429 HydrophobicContact CB-CB 4.1Å; V425-Y430 HydrophobicContact CG2-CD2 3.99Å; V425-Y430 HydrophobicContact CG2-CG 4.46Å
426	N	80.5	Confident	73.1	Confident	64 Å²	64	57.8 Å²	57.8	34%	0.342	33%	0.333	S	S	.	.			trans	-55.3	139.7	173.7	-174.6	26	0	0	0	110.2	E428 Q429 Y430	N426-E428 VanDerWaalsContact C-N 3.25Å; N426-E428 PolarHBondContact ND2-OE2 2.92Å; N426-E428 PolarHBondContact O-N 2.8Å; N426-E428 VanDerWaalsContact O-N 3.09Å; N426-E428 PolarHBondContact OD1-OE2 3.14Å; N426-E428 VanDerWaalsContact OD1-OE2 3.07Å; N426-Q429 HydrophobicContact CB-CB 4.47Å; N426-Q429 HydrophobicContact CB-CG 4.3Å; N426-Q429 WeakPolarHBondContact O-CA 3.5Å; N426-Q429 WeakPolarHBondContact O-CB 3.47Å; N426-Q429 PolarHBondContact O-N 2.87Å; N426-Y430 PolarHBondContact O-N 2.94Å
427	P	86.4	Confident	74.8	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-45.3	-40	179.1	-37.2	37	0	0	0	116.2	K308 Y401 Q429 Y430 S431	K308-P427 HydrophobicContact CB-CG 4.18Å; Y401-P427 HydrophobicContact CD1-CG 4.07Å; Y401-P427 HydrophobicContact CG-CG 4.1Å; P427-Q429 PolarHBondContact O-N 2.98Å; P427-Y430 PolarHBondContact O-N 3.4Å; P427-S431 PolarHBondContact O-N 3.1Å; P427-S431 PolarHBondContact O-OG 3.23Å
428	E	88	Confident	77	Confident	99 Å²	99	52.6 Å²	52.6	46%	0.463	30%	0.299	S	S	.	.	H	α-helix	trans	-68.2	-33.1	176.7	-64.5	80.2	-172.1	0	0	113.4	N426 S431 K432	N426-E428 VanDerWaalsContact C-N 3.25Å; N426-E428 PolarHBondContact ND2-OE2 2.92Å; N426-E428 PolarHBondContact O-N 2.8Å; N426-E428 VanDerWaalsContact O-N 3.09Å; N426-E428 PolarHBondContact OD1-OE2 3.14Å; N426-E428 VanDerWaalsContact OD1-OE2 3.07Å; E428-S431 PolarHBondContact O-OG 2.95Å; E428-S431 VanDerWaalsContact O-OG 3.05Å; E428-K432 WeakPolarHBondContact O-CB 3.38Å; E428-K432 PolarHBondContact O-N 2.95Å
429	Q	88.9	Confident	79.2	Confident	105 Å²	105	49.8 Å²	49.8	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-74.2	-38.7	174.6	-69.5	174.4	-25.2	0	0	110.8	V425 N426 P427 R433	V425-Q429 HydrophobicContact CB-CB 4.1Å; N426-Q429 HydrophobicContact CB-CB 4.47Å; N426-Q429 HydrophobicContact CB-CG 4.3Å; N426-Q429 WeakPolarHBondContact O-CA 3.5Å; N426-Q429 WeakPolarHBondContact O-CB 3.47Å; N426-Q429 PolarHBondContact O-N 2.87Å; P427-Q429 PolarHBondContact O-N 2.98Å; Q429-R433 WeakPolarHBondContact O-CB 3.42Å; Q429-R433 PolarHBondContact O-N 3.23Å
430	Y	90.8	Very high	81.4	Confident	1 Å²	1	49.1 Å²	49.1	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-51.3	174.8	-172.4	-84.4	0	0	0	110.8	K212 M310 D311 Y312 V425 N426 P427 K432 R433 F434	K212-Y430 WeakPolarHBondContact CD-OH 3.44Å; K212-Y430 WeakPolarHBondContact CG-OH 3.42Å; M310-Y430 HydrophobicContact CB-CG 4.48Å; D311-Y430 WeakPolarHBondContact CA-OH 3.4Å; Y312-Y430 HydrophobicContact CD1-CD1 4.41Å; Y312-Y430 AromaticContact CD1-CE1 3.99Å; Y312-Y430 HydrophobicContact CD1-CE1 3.99Å; Y312-Y430 AromaticContact CD2-CE1 3.8Å; Y312-Y430 HydrophobicContact CD2-CE1 3.8Å; Y312-Y430 AromaticContact CE1-CD1 3.78Å; Y312-Y430 HydrophobicContact CE1-CD1 3.78Å; Y312-Y430 AromaticContact CE1-CE1 3.78Å; Y312-Y430 HydrophobicContact CE1-CE1 3.78Å; Y312-Y430 AromaticContact CE2-CD1 3.99Å; Y312-Y430 HydrophobicContact CE2-CD1 3.99Å; Y312-Y430 AromaticContact CE2-CE1 3.58Å; Y312-Y430 HydrophobicContact CE2-CE1 3.58Å; Y312-Y430 HydrophobicContact CG-CE1 4.01Å; Y312-Y430 AromaticContact CZ-CD1 3.54Å; Y312-Y430 AromaticContact CZ-CE1 3.57Å; Y312-Y430 PolarHBondContact N-OH 2.89Å; Y312-Y430 PolarHBondContact O-OH 3.13Å; V425-Y430 HydrophobicContact CG2-CD2 3.99Å; V425-Y430 HydrophobicContact CG2-CG 4.46Å; N426-Y430 PolarHBondContact O-N 2.94Å; P427-Y430 PolarHBondContact O-N 3.4Å; Y430-K432 PolarHBondContact O-N 3.08Å; Y430-R433 VanDerWaalsContact CD2-NH2 3.29Å; Y430-R433 VanDerWaalsContact CE2-NH2 3.25Å; Y430-R433 PolarHBondContact O-N 2.97Å; Y430-F434 HydrophobicContact CE1-CB 4.4Å; Y430-F434 VanDerWaalsContact O-CB 3.25Å; Y430-F434 WeakPolarHBondContact O-CB 3.16Å; Y430-F434 PolarHBondContact O-N 3.34Å
431	S	93	Very high	83.5	Confident	15 Å²	15	47.6 Å²	47.6	11%	0.105	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-42.6	-177.9	64	0	0	0	0	112.1	Y312 P427 E428 F434 Y435	Y312-S431 WeakPolarHBondContact OH-CA 3.29Å; Y312-S431 VanDerWaalsContact OH-CB 3.29Å; Y312-S431 WeakPolarHBondContact OH-CB 3.45Å; P427-S431 PolarHBondContact O-N 3.1Å; P427-S431 PolarHBondContact O-OG 3.23Å; E428-S431 PolarHBondContact O-OG 2.95Å; E428-S431 VanDerWaalsContact O-OG 3.05Å; S431-F434 PolarHBondContact O-N 2.86Å; S431-Y435 VanDerWaalsContact O-CB 3.31Å; S431-Y435 WeakPolarHBondContact O-CB 3.38Å; S431-Y435 PolarHBondContact O-N 3.22Å
432	K	93.6	Very high	85.6	Confident	128 Å²	128	42.3 Å²	42.3	56%	0.557	22%	0.219	S	C	*	.	H	α-helix	trans	-60.5	-51.8	176.5	-178	176	175.5	-179.8	0	111.7	E428 Y430 F434 Y435 E436	E428-K432 WeakPolarHBondContact O-CB 3.38Å; E428-K432 PolarHBondContact O-N 2.95Å; Y430-K432 PolarHBondContact O-N 3.08Å; K432-F434 VanDerWaalsContact C-N 3.34Å; K432-F434 PolarHBondContact O-N 3.33Å; K432-Y435 PolarHBondContact O-N 2.83Å; K432-E436 WeakPolarHBondContact CE-OE1 3.43Å; K432-E436 HydrophobicContact CG-CG 4.45Å; K432-E436 IonicContact NZ-OE1 3.83Å; K432-E436 WeakPolarHBondContact O-CB 3.32Å; K432-E436 WeakPolarHBondContact O-CG 3.45Å; K432-E436 PolarHBondContact O-N 3Å
433	R	93.6	Very high	87.1	Confident	38 Å²	38	44.7 Å²	44.7	14%	0.143	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-45.3	179.3	-175.6	-168.6	68.3	-159.4	-3	111.6	G213 Q429 Y430 E436 F437	G213-R433 WeakPolarHBondContact O-CD 3.47Å; G213-R433 WeakPolarHBondContact O-CG 3.41Å; G213-R433 PolarHBondContact O-NE 2.99Å; Q429-R433 WeakPolarHBondContact O-CB 3.42Å; Q429-R433 PolarHBondContact O-N 3.23Å; Y430-R433 VanDerWaalsContact CD2-NH2 3.29Å; Y430-R433 VanDerWaalsContact CE2-NH2 3.25Å; Y430-R433 PolarHBondContact O-N 2.97Å; R433-E436 PolarHBondContact O-N 3.41Å; R433-F437 WeakPolarHBondContact O-CB 3.4Å; R433-F437 PolarHBondContact O-N 3.08Å
434	F	95.6	Very high	89	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-50.5	177	175.9	-98.4	0	0	0	111.2	L211 L297 V301 Y312 L314 V394 Y430 S431 K432 E436 F437 I438	L211-F434 WeakPolarHBondContact O-CE2 3.27Å; L297-F434 HydrophobicContact CD1-CE1 3.8Å; V301-F434 HydrophobicContact CG1-CD1 3.66Å; V301-F434 HydrophobicContact CG1-CE1 3.72Å; Y312-F434 HydrophobicContact CD2-CD1 4.39Å; Y312-F434 HydrophobicContact CD2-CD2 4.47Å; Y312-F434 HydrophobicContact CD2-CE1 4.17Å; Y312-F434 HydrophobicContact CD2-CE2 4.3Å; Y312-F434 HydrophobicContact CD2-CZ 4.13Å; Y312-F434 HydrophobicContact CE2-CB 4.48Å; Y312-F434 AromaticContact CE2-CD1 3.71Å; Y312-F434 HydrophobicContact CE2-CD1 3.71Å; Y312-F434 HydrophobicContact CE2-CD2 4.33Å; Y312-F434 AromaticContact CE2-CE1 3.85Å; Y312-F434 HydrophobicContact CE2-CE1 3.85Å; Y312-F434 HydrophobicContact CE2-CE2 4.49Å; Y312-F434 AromaticContact CE2-CG 3.94Å; Y312-F434 HydrophobicContact CE2-CG 3.94Å; Y312-F434 HydrophobicContact CE2-CZ 4.25Å; L314-F434 HydrophobicContact CB-CE2 4.04Å; L314-F434 HydrophobicContact CB-CZ 3.8Å; V394-F434 HydrophobicContact CG2-CZ 4.43Å; Y430-F434 HydrophobicContact CE1-CB 4.4Å; Y430-F434 VanDerWaalsContact O-CB 3.25Å; Y430-F434 WeakPolarHBondContact O-CB 3.16Å; Y430-F434 PolarHBondContact O-N 3.34Å; S431-F434 PolarHBondContact O-N 2.86Å; K432-F434 VanDerWaalsContact C-N 3.34Å; K432-F434 PolarHBondContact O-N 3.33Å; F434-E436 PolarHBondContact O-N 3.41Å; F434-F437 PolarHBondContact O-N 2.93Å; F434-I438 HydrophobicContact CE1-CG1 4.44Å; F434-I438 HydrophobicContact CE2-CG1 4.33Å; F434-I438 HydrophobicContact CZ-CG1 4.29Å; F434-I438 WeakPolarHBondContact O-CG1 3.42Å; F434-I438 PolarHBondContact O-N 3.4Å
435	Y	96.7	Very high	90.8	Very high	65 Å²	65	45.5 Å²	45.5	26%	0.255	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-45	179	-178.8	-92.6	0	0	0	112.9	L294 L297 R298 V301 S431 K432 I438 T439	L294-Y435 HydrophobicContact CD2-CE2 4.32Å; L297-Y435 HydrophobicContact CB-CD2 4.5Å; L297-Y435 HydrophobicContact CB-CE2 4.47Å; L297-Y435 HydrophobicContact CD2-CD2 3.99Å; L297-Y435 HydrophobicContact CD2-CE2 4.4Å; L297-Y435 HydrophobicContact CG-CD2 4.11Å; R298-Y435 HydrophobicContact CB-CD2 4.32Å; R298-Y435 HydrophobicContact CB-CE2 3.68Å; R298-Y435 HydrophobicContact CG-CE2 4.33Å; V301-Y435 HydrophobicContact CG2-CD2 4.45Å; S431-Y435 VanDerWaalsContact O-CB 3.31Å; S431-Y435 WeakPolarHBondContact O-CB 3.38Å; S431-Y435 PolarHBondContact O-N 3.22Å; K432-Y435 PolarHBondContact O-N 2.83Å; Y435-I438 PolarHBondContact O-N 3.49Å; Y435-T439 WeakPolarHBondContact O-CB 3.25Å; Y435-T439 PolarHBondContact O-N 3.09Å; Y435-T439 PolarHBondContact O-OG1 3Å
436	E	95.9	Very high	92.2	Very high	106 Å²	106	47.1 Å²	47.1	50%	0.495	24%	0.243	S	C	.	.	H	α-helix	trans	-63.1	-43.4	178.7	-74.3	174.4	171.3	0	0	111.7	K432 R433 F434 T439 A440	K432-E436 WeakPolarHBondContact CE-OE1 3.43Å; K432-E436 HydrophobicContact CG-CG 4.45Å; K432-E436 IonicContact NZ-OE1 3.83Å; K432-E436 WeakPolarHBondContact O-CB 3.32Å; K432-E436 WeakPolarHBondContact O-CG 3.45Å; K432-E436 PolarHBondContact O-N 3Å; R433-E436 PolarHBondContact O-N 3.41Å; F434-E436 PolarHBondContact O-N 3.41Å; E436-T439 PolarHBondContact O-N 2.9Å; E436-A440 PolarHBondContact O-N 3.2Å
437	F	95.4	Very high	92.9	Very high	35 Å²	35	46.1 Å²	46.1	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-49	176.4	177.8	-102.9	0	0	0	112	L211 G213 D273 I277 R433 F434 T439 A440 I441	L211-F437 HydrophobicContact CB-CE1 4.14Å; L211-F437 HydrophobicContact CD1-CE1 4.34Å; L211-F437 HydrophobicContact CD2-CE1 4.37Å; G213-F437 VanDerWaalsContact CA-CB 3.49Å; G213-F437 VanDerWaalsContact CA-CD1 3.45Å; D273-F437 HydrophobicContact CB-CZ 4.2Å; I277-F437 HydrophobicContact CD1-CE2 4.05Å; I277-F437 HydrophobicContact CG1-CE2 4.38Å; R433-F437 WeakPolarHBondContact O-CB 3.4Å; R433-F437 PolarHBondContact O-N 3.08Å; F434-F437 PolarHBondContact O-N 2.93Å; F437-T439 VanDerWaalsContact C-N 3.29Å; F437-T439 PolarHBondContact O-N 2.92Å; F437-A440 PolarHBondContact O-N 2.68Å; F437-A440 VanDerWaalsContact O-N 3.11Å; F437-I441 HydrophobicContact CE1-CD1 4.38Å; F437-I441 HydrophobicContact CE1-CG2 4.23Å; F437-I441 HydrophobicContact CE2-CG2 4.19Å; F437-I441 HydrophobicContact CZ-CG2 3.96Å; F437-I441 PolarHBondContact O-N 3.08Å
438	I	96.4	Very high	93.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-38.1	178.8	-61	-54	0	0	0	111	L211 F293 L297 L314 F434 Y435 A440 I441 L442	L211-I438 HydrophobicContact CB-CD1 4.14Å; L211-I438 HydrophobicContact CD1-CD1 4.27Å; F293-I438 HydrophobicContact CE1-CG2 3.83Å; F293-I438 HydrophobicContact CZ-CG2 4.45Å; L297-I438 HydrophobicContact CD2-CB 3.81Å; L297-I438 HydrophobicContact CD2-CG1 4.34Å; L297-I438 HydrophobicContact CD2-CG2 3.57Å; L314-I438 HydrophobicContact CB-CD1 3.94Å; L314-I438 HydrophobicContact CB-CG1 4.49Å; L314-I438 HydrophobicContact CD2-CD1 3.6Å; L314-I438 HydrophobicContact CD2-CG1 4.12Å; L314-I438 HydrophobicContact CD2-CG2 3.9Å; L314-I438 HydrophobicContact CG-CD1 4.42Å; F434-I438 HydrophobicContact CE1-CG1 4.44Å; F434-I438 HydrophobicContact CE2-CG1 4.33Å; F434-I438 HydrophobicContact CZ-CG1 4.29Å; F434-I438 WeakPolarHBondContact O-CG1 3.42Å; F434-I438 PolarHBondContact O-N 3.4Å; Y435-I438 PolarHBondContact O-N 3.49Å; I438-A440 VanDerWaalsContact C-N 3.27Å; I438-A440 PolarHBondContact O-N 3.46Å; I438-I441 HydrophobicContact CD1-CD1 3.87Å; I438-I441 WeakPolarHBondContact O-CG1 3.49Å; I438-I441 PolarHBondContact O-N 2.78Å; I438-L442 HydrophobicContact CG2-CD1 4.44Å; I438-L442 WeakPolarHBondContact O-CG 3.37Å
439	T	96.4	Very high	93.6	Very high	45 Å²	45	45.6 Å²	45.6	28%	0.276	24%	0.237	S	C	.	.	H	α-helix	trans	-59.7	-38.2	174.9	-57.7	0	0	0	0	112	L294 Y435 E436 F437	L294-T439 HydrophobicContact CD1-CG2 4.09Å; Y435-T439 WeakPolarHBondContact O-CB 3.25Å; Y435-T439 PolarHBondContact O-N 3.09Å; Y435-T439 PolarHBondContact O-OG1 3Å; E436-T439 PolarHBondContact O-N 2.9Å; F437-T439 VanDerWaalsContact C-N 3.29Å; F437-T439 PolarHBondContact O-N 2.92Å
440	A	94.4	Very high	94	Very high	67 Å²	67	41.4 Å²	41.4	55%	0.554	22%	0.219	S	C	*	.	H	α-helix	trans	-74.7	-25.1	-176.8	0	0	0	0	0	114.5	E436 F437 I438	E436-A440 PolarHBondContact O-N 3.2Å; F437-A440 PolarHBondContact O-N 2.68Å; F437-A440 VanDerWaalsContact O-N 3.11Å; I438-A440 VanDerWaalsContact C-N 3.27Å; I438-A440 PolarHBondContact O-N 3.46Å
441	I	93.6	Very high	94.2	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.051	24%	0.236	C	C	.	.	H	α-helix	trans	-86.2	-21.4	-179.1	63.9	172.6	0	0	0	113.5	L211 F276 I283 F437 I438	L211-I441 HydrophobicContact CD1-CD1 3.51Å; F276-I441 HydrophobicContact CD1-CG2 4.05Å; F276-I441 HydrophobicContact CE1-CB 3.6Å; F276-I441 HydrophobicContact CE1-CD1 4.21Å; F276-I441 HydrophobicContact CE1-CG1 4.46Å; F276-I441 HydrophobicContact CE1-CG2 3.6Å; F276-I441 HydrophobicContact CZ-CB 3.97Å; F276-I441 HydrophobicContact CZ-CD1 4.03Å; F276-I441 HydrophobicContact CZ-CG1 4.47Å; F276-I441 HydrophobicContact CZ-CG2 4.4Å; I283-I441 HydrophobicContact CD1-CD1 4.17Å; I283-I441 PolarHBondContact N-O 3.3Å; F437-I441 HydrophobicContact CE1-CD1 4.38Å; F437-I441 HydrophobicContact CE1-CG2 4.23Å; F437-I441 HydrophobicContact CE2-CG2 4.19Å; F437-I441 HydrophobicContact CZ-CG2 3.96Å; F437-I441 PolarHBondContact O-N 3.08Å; I438-I441 HydrophobicContact CD1-CD1 3.87Å; I438-I441 WeakPolarHBondContact O-CG1 3.49Å; I438-I441 PolarHBondContact O-N 2.78Å
442	L	93.7	Very high	94.3	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-76.5	122.3	176.2	-61.2	174.3	0	0	0	109.7	I283 I285 K290 F293 L294 M392 I438	I283-L442 HydrophobicContact CB-CD2 3.82Å; I283-L442 HydrophobicContact CD1-CD2 4.09Å; I283-L442 HydrophobicContact CG2-CD2 3.57Å; I285-L442 HydrophobicContact CD1-CD1 4.22Å; I285-L442 HydrophobicContact CD1-CD2 3.92Å; I285-L442 HydrophobicContact CD1-CG 4.44Å; I285-L442 HydrophobicContact CG1-CD2 4.49Å; K290-L442 HydrophobicContact CD-CB 4.45Å; K290-L442 WeakPolarHBondContact CE-O 3.41Å; K290-L442 HydrophobicContact CG-CB 4.43Å; K290-L442 HydrophobicContact CG-CD1 4.43Å; K290-L442 PolarHBondContact NZ-O 2.89Å; F293-L442 HydrophobicContact CD1-CD1 3.65Å; F293-L442 HydrophobicContact CE1-CD1 3.89Å; L294-L442 HydrophobicContact CD2-CD1 3.86Å; L294-L442 HydrophobicContact CG-CD1 4.13Å; M392-L442 HydrophobicContact SD-CD2 4.41Å; I438-L442 HydrophobicContact CG2-CD1 4.44Å; I438-L442 WeakPolarHBondContact O-CG 3.37Å
443	S	86.6	Confident	94.4	Very high	63 Å²	63	39.5 Å²	39.5	44%	0.441	22%	0.218	S	C	.	.			trans	-97.8	0	177.3	-60.3	0	0	0	0	109.6	K282 I283 I285 K290	K282-S443 WeakPolarHBondContact CD-OG 3.3Å; I283-S443 PolarHBondContact O-N 3.24Å; I285-S443 PolarHBondContact N-O 3.44Å; K290-S443 PolarHBondContact NZ-OXT 3.36Å

Retrieved 443 of 443 residues in 296.3 ms (Link to these results)

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