A0A024R4K3_HUMAN Loading...

Malate dehydrogenase

AlphaFold DB (P40926), UniProt , Accession A0A024R4K3, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 338 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.2	Very low	47.6	Very low	240 Å²	240	144 Å²	144	100%	1.182	88%	0.876	S	S	*	*				0	111.8	0	-77.9	178	176.6	0	0	108.2
2	L	39.5	Very low	47.7	Very low	176 Å²	176	140 Å²	140	92%	0.921	87%	0.869	S	S	*	*			trans	20.5	110.5	158	-66.5	134.4	0	0	0	119.1
3	S	45.5	Very low	47.8	Very low	120 Å²	120	141.7 Å²	141.7	84%	0.839	87%	0.867	S	S	*	*			trans	-137.5	120.4	139.1	77.7	0	0	0	0	109.6
4	A	48	Very low	47.7	Very low	103 Å²	103	148.8 Å²	148.8	85%	0.851	87%	0.87	S	S	*	*			trans	-85.7	123.3	-174.6	0	0	0	0	0	110.1
5	L	50.1	Low	47.5	Very low	173 Å²	173	152.8 Å²	152.8	91%	0.906	87%	0.865	S	S	*	*			trans	-78.5	112.5	171	-85.2	148	0	0	0	109.9
6	A	51.6	Low	47.2	Very low	95 Å²	95	150.6 Å²	150.6	79%	0.785	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-75.3	123	167.2	0	0	0	0	0	109.9
7	R	48.6	Very low	46.9	Very low	240 Å²	240	151.5 Å²	151.5	91%	0.906	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-69.9	139.5	177.3	-75	174.8	159.8	-176.1	-5.7	111.4
8	P	50	Low	46.5	Very low	119 Å²	119	148.4 Å²	148.4	77%	0.773	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-79.8	132.9	162.5	31.8	-27.3	0	0	0	109.4	S10	P8-S10 PolarHBondContact O-N 2.94Å
9	A	49.7	Very low	46.2	Very low	102 Å²	102	146.7 Å²	146.7	84%	0.843	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-66.4	121.1	174.4	0	0	0	0	0	110.2	A11	A9-A11 PolarHBondContact O-N 3.32Å; A9-A11 VanDerWaalsContact O-N 3.09Å
10	S	44.4	Very low	46.1	Very low	123 Å²	123	144.4 Å²	144.4	86%	0.86	83%	0.83	S	S	*	*			trans	-64.7	104.5	173.7	-57.9	0	0	0	0	110.4	P8 A12	P8-S10 PolarHBondContact O-N 2.94Å; S10-A12 PolarHBondContact O-N 3.11Å
11	A	52	Low	46.2	Very low	93 Å²	93	141.3 Å²	141.3	77%	0.769	82%	0.822	S	S	*	*			trans	-68.5	111	165.9	0	0	0	0	0	108.8	A9 L13	A9-A11 PolarHBondContact O-N 3.32Å; A9-A11 VanDerWaalsContact O-N 3.09Å; A11-L13 PolarHBondContact O-N 3.4Å; A11-L13 VanDerWaalsContact O-N 3.1Å
12	A	48.4	Very low	46.8	Very low	96 Å²	96	135.3 Å²	135.3	79%	0.793	79%	0.791	S	S	*	*			trans	-61.1	110.6	176.1	0	0	0	0	0	110.4	S10 R14	S10-A12 PolarHBondContact O-N 3.11Å; A12-R14 PolarHBondContact O-N 2.98Å
13	L	49.8	Very low	47.9	Very low	162 Å²	162	132.8 Å²	132.8	85%	0.848	78%	0.779	S	S	*	*			trans	-63.1	99.5	166.9	-124.1	86.1	0	0	0	108.2	A11 R15	A11-L13 PolarHBondContact O-N 3.4Å; A11-L13 VanDerWaalsContact O-N 3.1Å; L13-R15 PolarHBondContact O-N 3.18Å
14	R	46	Very low	49.7	Very low	241 Å²	241	129.8 Å²	129.8	91%	0.909	75%	0.753	S	S	*	*			trans	-64.7	100.3	165.3	-77.3	-177.2	176	-176.2	-0.9	107.7	A12 S16	A12-R14 PolarHBondContact O-N 2.98Å; R14-S16 PolarHBondContact O-N 2.9Å; R14-S16 VanDerWaalsContact O-N 3.08Å
15	R	44.4	Very low	52	Low	209 Å²	209	125 Å²	125	79%	0.789	71%	0.714	S	S	*	*			trans	-60.8	107.9	166	-75.3	180	178.6	172	-0.8	108	L13 F17	L13-R15 PolarHBondContact O-N 3.18Å; R15-F17 HydrophobicContact CB-CD2 4.28Å; R15-F17 HydrophobicContact CB-CE2 4.27Å; R15-F17 PolarHBondContact O-N 3.37Å
16	S	43.6	Very low	54.3	Low	117 Å²	117	120.6 Å²	120.6	82%	0.818	69%	0.687	S	S	*	*			trans	-68.5	95.5	167	-168.9	0	0	0	0	108.1	R14 S18	R14-S16 PolarHBondContact O-N 2.9Å; R14-S16 VanDerWaalsContact O-N 3.08Å; S16-S18 VanDerWaalsContact C-N 3.25Å; S16-S18 PolarHBondContact O-N 3.13Å
17	F	41.5	Very low	56.5	Low	167 Å²	167	116 Å²	116	73%	0.732	65%	0.65	S	S	*	*			trans	-74.6	85.3	164.4	-86.1	-86.2	0	0	0	107.6	R15 T19	R15-F17 HydrophobicContact CB-CD2 4.28Å; R15-F17 HydrophobicContact CB-CE2 4.27Å; R15-F17 PolarHBondContact O-N 3.37Å; F17-T19 PolarHBondContact O-N 3.45Å
18	S	39.4	Very low	58.9	Low	96 Å²	96	104.6 Å²	104.6	67%	0.671	61%	0.607	S	S	*	*			trans	-71.4	82.4	160.3	176.6	0	0	0	0	107.7	S16 S20	S16-S18 VanDerWaalsContact C-N 3.25Å; S16-S18 PolarHBondContact O-N 3.13Å; S18-S20 PolarHBondContact O-N 2.67Å
19	T	41.5	Very low	61.2	Low	115 Å²	115	99 Å²	99	71%	0.706	57%	0.57	S	S	*	*			trans	-75.5	72.2	161.1	56	0	0	0	0	107.6	F17 A21	F17-T19 PolarHBondContact O-N 3.45Å; T19-A21 PolarHBondContact O-N 2.89Å
20	S	43.5	Very low	63.6	Low	100 Å²	100	94.1 Å²	94.1	70%	0.699	53%	0.53	S	S	*	.			trans	-65.5	95	151.5	56	0	0	0	0	104.4	S18 Q22	S18-S20 PolarHBondContact O-N 2.67Å; S20-Q22 PolarHBondContact O-N 3.4Å
21	A	47.7	Very low	66.2	Low	80 Å²	80	88.6 Å²	88.6	66%	0.661	49%	0.493	S	S	*	.			trans	-55.8	106.2	176.2	0	0	0	0	0	106.3	T19 N23	T19-A21 PolarHBondContact O-N 2.89Å; A21-N23 PolarHBondContact O-N 3.3Å
22	Q	58.5	Low	68.4	Low	114 Å²	114	84.2 Å²	84.2	53%	0.533	46%	0.456	S	S	.	.			trans	-58	112.4	172.2	-169.9	168.5	-3.1	0	0	105.5	S20 N24 L49	S20-Q22 PolarHBondContact O-N 3.4Å; Q22-N24 PolarHBondContact O-N 2.93Å; Q22-L49 VanDerWaalsContact NE2-CD2 3.26Å
23	N	61.6	Low	70.8	Confident	124 Å²	124	80.3 Å²	80.3	66%	0.663	42%	0.423	S	S	*	.			trans	-73.6	88.3	-179.7	-90.9	-17.5	0	0	0	107.1	A21 A25 N267	A21-N23 PolarHBondContact O-N 3.3Å; N23-A25 PolarHBondContact O-N 3.09Å; N23-N267 WeakPolarHBondContact CA-OD1 3.46Å; N23-N267 VanDerWaalsContact CB-OD1 3.3Å; N23-N267 WeakPolarHBondContact CB-OD1 3.29Å; N23-N267 PolarHBondContact N-OD1 3.05Å; N23-N267 PolarHBondContact O-ND2 3.41Å; N23-N267 PolarHBondContact O-OD1 3.42Å
24	N	82.7	Confident	73	Confident	57 Å²	57	74.2 Å²	74.2	31%	0.305	40%	0.399	S	S	.	.			trans	-64.8	125.9	176.4	-72.3	-7.6	0	0	0	109.5	Q22 P48 L49 S51	Q22-N24 PolarHBondContact O-N 2.93Å; N24-P48 PolarHBondContact ND2-O 3.04Å; N24-P48 PolarHBondContact OD1-O 2.94Å; N24-L49 CarbonylContact C-O 3.03Å; N24-L49 WeakPolarHBondContact CA-O 3.35Å; N24-S51 VanDerWaalsContact CB-CB 3.5Å; N24-S51 PolarHBondContact O-OG 3.35Å
25	A	96.4	Very high	75.4	Confident	3 Å²	3	65.2 Å²	65.2	3%	0.025	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	148.7	-170.8	0	0	0	0	0	113.1	N23 V27 L49 V50 S51 D94 V263	N23-A25 PolarHBondContact O-N 3.09Å; A25-V27 HydrophobicContact CB-CG2 4.15Å; A25-L49 PolarHBondContact N-O 2.96Å; A25-V50 WeakPolarHBondContact O-CA 3.29Å; A25-S51 PolarHBondContact O-N 3.12Å; A25-S51 PolarHBondContact O-OG 3.33Å; A25-D94 HydrophobicContact CB-CB 4.42Å; A25-V263 HydrophobicContact CB-CB 4.42Å; A25-V263 HydrophobicContact CB-CG1 3.76Å; A25-V263 HydrophobicContact CB-CG2 3.68Å
26	K	98.5	Very high	77.9	Confident	79 Å²	79	56.6 Å²	56.6	34%	0.343	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	114.1	166.1	-62.6	164.5	174.5	173.6	0	108.3	R52 G92 D94 V95	K26-R52 CarbonylContact C-O 3.5Å; K26-R52 WeakPolarHBondContact CA-O 3.18Å; K26-R52 HydrophobicContact CB-CB 4.31Å; K26-R52 HydrophobicContact CG-CB 3.92Å; K26-G92 WeakPolarHBondContact CD-O 3.29Å; K26-D94 WeakPolarHBondContact CB-OD2 3.45Å; K26-D94 PolarHBondContact N-OD2 3.46Å; K26-D94 PolarHBondContact O-N 3.43Å; K26-V95 PolarHBondContact O-N 2.91Å
27	V	98.8	Very high	80.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.8	-174.6	-174.4	0	0	0	0	110.2	A25 L44 V50 R52 L53 T54 V95 V97 V259	A25-V27 HydrophobicContact CB-CG2 4.15Å; V27-L44 HydrophobicContact CG1-CD1 4.01Å; V27-V50 HydrophobicContact CB-CG1 4.38Å; V27-V50 HydrophobicContact CG2-CG1 4.16Å; V27-V50 HydrophobicContact CG2-CG2 4.02Å; V27-R52 PolarHBondContact N-O 3.36Å; V27-L53 HydrophobicContact CB-CD1 4.43Å; V27-L53 WeakPolarHBondContact O-CA 3.4Å; V27-T54 PolarHBondContact O-N 3.21Å; V27-V95 CarbonylContact C-O 3.51Å; V27-V95 WeakPolarHBondContact CA-O 3.31Å; V27-V95 HydrophobicContact CG1-CB 4.39Å; V27-V95 HydrophobicContact CG2-CB 4.31Å; V27-V97 HydrophobicContact CG1-CG2 4.19Å; V27-V259 HydrophobicContact CG1-CG1 4.45Å; V27-V259 HydrophobicContact CG2-CG1 4.46Å
28	A	98.9	Very high	83.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.2	169.4	0	0	0	0	0	111.5	L30 T54 L90 C93 V95 V96 V97	A28-L30 HydrophobicContact CB-CD2 4.45Å; A28-T54 CarbonylContact C-O 3.58Å; A28-T54 VanDerWaalsContact CA-O 3.26Å; A28-T54 WeakPolarHBondContact CA-O 3.33Å; A28-T54 WeakPolarHBondContact CA-OG1 3.29Å; A28-T54 WeakPolarHBondContact CB-OG1 3.29Å; A28-L90 HydrophobicContact CB-CD2 4.48Å; A28-C93 HydrophobicContact CB-CB 4.44Å; A28-V95 PolarHBondContact N-O 3.1Å; A28-V96 HydrophobicContact CB-CG1 4.22Å; A28-V96 HydrophobicContact CB-CG2 4.22Å; A28-V96 WeakPolarHBondContact O-CA 3.35Å; A28-V97 PolarHBondContact O-N 3.49Å
29	V	98.9	Very high	86.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.5	169.8	-176.7	0	0	0	0	109.2	A32 L40 L44 L53 T54 L55 Y56 V97 P99	V29-A32 HydrophobicContact CB-CB 4.22Å; V29-A32 HydrophobicContact CG1-CB 4.06Å; V29-L40 HydrophobicContact CG1-CD2 4.18Å; V29-L44 HydrophobicContact CG2-CD1 3.52Å; V29-L53 HydrophobicContact CG2-CD1 4.04Å; V29-T54 PolarHBondContact N-O 2.87Å; V29-L55 HydrophobicContact CB-CD2 4.04Å; V29-L55 HydrophobicContact CG2-CD2 4.23Å; V29-Y56 PolarHBondContact O-N 3.01Å; V29-V97 WeakPolarHBondContact CA-O 3.48Å; V29-P99 HydrophobicContact CG1-CG 3.8Å
30	L	98.9	Very high	88.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.5	178.7	-46.1	-174	0	0	0	109.8	A28 Y56 L86 L90 V96 V97 I98 P99 A100 L124	A28-L30 HydrophobicContact CB-CD2 4.45Å; L30-Y56 HydrophobicContact CB-CD1 4.3Å; L30-Y56 HydrophobicContact CD2-CD1 4.13Å; L30-Y56 HydrophobicContact CD2-CG 4.13Å; L30-L86 HydrophobicContact CD2-CD1 3.95Å; L30-L90 HydrophobicContact CD1-CD2 4.17Å; L30-L90 HydrophobicContact CD2-CD2 3.96Å; L30-V96 HydrophobicContact CD1-CG1 3.73Å; L30-V96 HydrophobicContact CD2-CG1 4.37Å; L30-V96 HydrophobicContact CG-CG1 3.75Å; L30-V97 PolarHBondContact N-O 3.49Å; L30-I98 HydrophobicContact CB-CG1 4.45Å; L30-I98 HydrophobicContact CB-CG2 4.41Å; L30-I98 HydrophobicContact CD1-CD1 4.18Å; L30-I98 HydrophobicContact CD1-CG1 4.05Å; L30-I98 HydrophobicContact CG-CG1 4.38Å; L30-P99 WeakPolarHBondContact O-CD 3.49Å; L30-A100 VanDerWaalsContact O-CB 3.24Å; L30-A100 WeakPolarHBondContact O-CB 3.45Å; L30-A100 PolarHBondContact O-N 3.29Å; L30-L124 HydrophobicContact CB-CD1 4.03Å; L30-L124 HydrophobicContact CD1-CB 3.96Å; L30-L124 HydrophobicContact CD1-CD1 4.44Å; L30-L124 HydrophobicContact CD1-CD2 4.26Å; L30-L124 HydrophobicContact CD1-CG 4.44Å
31	G	98.5	Very high	91.5	Very high	8 Å²	8	34 Å²	34	8%	0.082	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	32.5	-165	0	0	0	0	0	112.4	S33 G34 G37 Y56 D57	G31-S33 VanDerWaalsContact C-N 3.26Å; G31-S33 PolarHBondContact O-N 3.48Å; G31-G34 PolarHBondContact O-N 3.21Å; G31-G37 WeakPolarHBondContact O-CA 3.39Å; G31-Y56 PolarHBondContact N-O 2.97Å; G31-D57 WeakPolarHBondContact CA-OD2 3.3Å
32	A	98.6	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22	-172.9	0	0	0	0	0	113.9	V29 G37 Q38 L55 Y56 D57	V29-A32 HydrophobicContact CB-CB 4.22Å; V29-A32 HydrophobicContact CG1-CB 4.06Å; A32-G37 CarbonylContact O-C 3.55Å; A32-G37 WeakPolarHBondContact O-CA 3.27Å; A32-Q38 WeakPolarHBondContact O-CA 3.4Å; A32-Q38 WeakPolarHBondContact O-CG 3.39Å; A32-Q38 PolarHBondContact O-N 2.87Å; A32-L55 HydrophobicContact CB-CB 3.72Å; A32-L55 HydrophobicContact CB-CD2 3.97Å; A32-L55 HydrophobicContact CB-CG 4.31Å; A32-Y56 PolarHBondContact N-O 2.94Å; A32-D57 PolarHBondContact N-OD2 3.34Å
33	S	98.3	Very high	95.8	Very high	15 Å²	15	30.9 Å²	30.9	11%	0.105	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.6	-179.9	-57.4	0	0	0	0	113.1	G31 Q38 D57 A59 T61	G31-S33 VanDerWaalsContact C-N 3.26Å; G31-S33 PolarHBondContact O-N 3.48Å; S33-Q38 PolarHBondContact O-NE2 2.95Å; S33-D57 WeakPolarHBondContact CA-OD2 3.42Å; S33-D57 WeakPolarHBondContact CB-OD2 3.38Å; S33-D57 PolarHBondContact N-OD2 2.73Å; S33-D57 WeakPolarHBondContact OG-CB 3.3Å; S33-A59 WeakPolarHBondContact CB-O 3.43Å; S33-A59 PolarHBondContact OG-O 2.77Å; S33-T61 PolarHBondContact OG-N 3.27Å
34	G	96.4	Very high	97.6	Very high	33 Å²	33	25 Å²	25	34%	0.34	15%	0.151	S	C	.	.	S	Bend	trans	-72.4	172.1	179.6	0	0	0	0	0	114.1	G31 I36 G37 Q38	G31-G34 PolarHBondContact O-N 3.21Å; G34-I36 VanDerWaalsContact C-N 3.26Å; G34-I36 PolarHBondContact O-N 3.21Å; G34-G37 PolarHBondContact O-N 3.47Å; G34-Q38 PolarHBondContact O-N 3.43Å; G34-Q38 VanDerWaalsContact O-N 3.08Å
35	G	96.3	Very high	98.4	Very high	52 Å²	52	22.6 Å²	22.6	54%	0.536	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.3	-176.4	0	0	0	0	0	115	P39 T248	G35-P39 VanDerWaalsContact O-CD 3.3Å; G35-P39 WeakPolarHBondContact O-CD 3.45Å; G35-P39 VanDerWaalsContact O-CG 3.24Å; G35-P39 WeakPolarHBondContact O-CG 3.37Å; G35-T248 VanDerWaalsContact O-CB 3.29Å; G35-T248 WeakPolarHBondContact O-CB 3.47Å
36	I	98.1	Very high	98.5	Very high	29 Å²	29	26.1 Å²	26.1	15%	0.149	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-41	169.8	-63.3	162.9	0	0	0	110.2	G34 Q38 P39 L40 P99 I140 T248 M251	G34-I36 VanDerWaalsContact C-N 3.26Å; G34-I36 PolarHBondContact O-N 3.21Å; I36-Q38 PolarHBondContact O-N 3.44Å; I36-P39 WeakPolarHBondContact O-CD 3.28Å; I36-P39 WeakPolarHBondContact O-CG 3.46Å; I36-L40 WeakPolarHBondContact O-CB 3.36Å; I36-L40 PolarHBondContact O-N 2.91Å; I36-P99 HydrophobicContact CB-CB 4.05Å; I36-P99 HydrophobicContact CG2-CB 3.82Å; I36-I140 HydrophobicContact CD1-CG2 4.21Å; I36-T248 HydrophobicContact CG1-CG2 4.41Å; I36-M251 HydrophobicContact CD1-CB 4.22Å; I36-M251 HydrophobicContact CD1-CG 3.76Å; I36-M251 HydrophobicContact CG1-CB 4.14Å; I36-M251 HydrophobicContact CG1-CG 4.12Å; I36-M251 HydrophobicContact CG2-CB 4.42Å; I36-M251 HydrophobicContact CG2-CG 4.09Å
37	G	98.6	Very high	98.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-57.3	-46.6	-172.7	0	0	0	0	0	113.9	G31 A32 G34 L40 S41	G31-G37 WeakPolarHBondContact O-CA 3.39Å; A32-G37 CarbonylContact O-C 3.55Å; A32-G37 WeakPolarHBondContact O-CA 3.27Å; G34-G37 PolarHBondContact O-N 3.47Å; G37-L40 PolarHBondContact O-N 3.04Å; G37-S41 VanDerWaalsContact O-CB 3.26Å; G37-S41 WeakPolarHBondContact O-CB 3.39Å; G37-S41 PolarHBondContact O-N 2.84Å; G37-S41 PolarHBondContact O-OG 3.4Å
38	Q	98.8	Very high	98.4	Very high	92 Å²	92	27.3 Å²	27.3	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-64.3	-57.2	-178.3	-65.6	-172.5	33.2	0	0	112.5	A32 S33 G34 I36 L40 S41 L42 V64	A32-Q38 WeakPolarHBondContact O-CA 3.4Å; A32-Q38 WeakPolarHBondContact O-CG 3.39Å; A32-Q38 PolarHBondContact O-N 2.87Å; S33-Q38 PolarHBondContact O-NE2 2.95Å; G34-Q38 PolarHBondContact O-N 3.43Å; G34-Q38 VanDerWaalsContact O-N 3.08Å; I36-Q38 PolarHBondContact O-N 3.44Å; Q38-L40 VanDerWaalsContact C-N 3.27Å; Q38-L40 PolarHBondContact O-N 3.23Å; Q38-S41 PolarHBondContact O-N 2.91Å; Q38-S41 VanDerWaalsContact O-N 3.14Å; Q38-L42 PolarHBondContact O-N 2.94Å; Q38-V64 HydrophobicContact CG-CG1 4.16Å; Q38-V64 HydrophobicContact CG-CG2 4.12Å
39	P	98.8	Very high	98.3	Very high	26 Å²	26	28 Å²	28	17%	0.169	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-30.9	178.2	23.4	-32.7	0	0	0	112.7	G35 I36 L42 L43 L249 A252	G35-P39 VanDerWaalsContact O-CD 3.3Å; G35-P39 WeakPolarHBondContact O-CD 3.45Å; G35-P39 VanDerWaalsContact O-CG 3.24Å; G35-P39 WeakPolarHBondContact O-CG 3.37Å; I36-P39 WeakPolarHBondContact O-CD 3.28Å; I36-P39 WeakPolarHBondContact O-CG 3.46Å; P39-L42 PolarHBondContact O-N 3.3Å; P39-L43 VanDerWaalsContact O-CG 3.31Å; P39-L43 WeakPolarHBondContact O-CG 3.34Å; P39-L43 PolarHBondContact O-N 3.48Å; P39-L43 VanDerWaalsContact O-N 3.08Å; P39-L249 HydrophobicContact CB-CD2 4.01Å; P39-L249 HydrophobicContact CG-CD2 4.13Å; P39-A252 HydrophobicContact CB-CB 3.74Å; P39-A252 HydrophobicContact CG-CB 3.8Å
40	L	98.9	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-46.9	173	174	62.9	0	0	0	110.9	V29 I36 G37 Q38 L42 L43 L44 V97 P99 I140 A252 A256	V29-L40 HydrophobicContact CG1-CD2 4.18Å; I36-L40 WeakPolarHBondContact O-CB 3.36Å; I36-L40 PolarHBondContact O-N 2.91Å; G37-L40 PolarHBondContact O-N 3.04Å; Q38-L40 VanDerWaalsContact C-N 3.27Å; Q38-L40 PolarHBondContact O-N 3.23Å; L40-L42 VanDerWaalsContact C-N 3.3Å; L40-L42 PolarHBondContact O-N 2.85Å; L40-L43 PolarHBondContact O-N 3.37Å; L40-L44 HydrophobicContact CD1-CD1 4.12Å; L40-L44 HydrophobicContact CD1-CG 4.19Å; L40-L44 HydrophobicContact CG-CD1 3.98Å; L40-L44 HydrophobicContact CG-CG 4.45Å; L40-L44 VanDerWaalsContact O-CG 3.31Å; L40-L44 WeakPolarHBondContact O-CG 3.37Å; L40-L44 PolarHBondContact O-N 3Å; L40-V97 HydrophobicContact CD2-CB 4.32Å; L40-V97 HydrophobicContact CD2-CG1 3.81Å; L40-P99 HydrophobicContact CD2-CG 4.32Å; L40-I140 HydrophobicContact CD2-CD1 4.23Å; L40-A252 HydrophobicContact CB-CB 4.01Å; L40-A256 HydrophobicContact CD1-CB 4Å
41	S	98.9	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-38.2	179.3	-57.9	0	0	0	0	111.7	G37 Q38 L44 K45 L53 L55	G37-S41 VanDerWaalsContact O-CB 3.26Å; G37-S41 WeakPolarHBondContact O-CB 3.39Å; G37-S41 PolarHBondContact O-N 2.84Å; G37-S41 PolarHBondContact O-OG 3.4Å; Q38-S41 PolarHBondContact O-N 2.91Å; Q38-S41 VanDerWaalsContact O-N 3.14Å; S41-L44 PolarHBondContact O-N 3.43Å; S41-K45 VanDerWaalsContact O-CB 3.31Å; S41-K45 WeakPolarHBondContact O-CB 3.36Å; S41-K45 PolarHBondContact O-N 3.49Å; S41-L53 WeakPolarHBondContact O-CD2 3.22Å; S41-L55 VanDerWaalsContact OG-CD2 3.3Å; S41-L55 WeakPolarHBondContact OG-CD2 3.43Å
42	L	98.9	Very high	98.2	Very high	71 Å²	71	33.3 Å²	33.3	37%	0.372	20%	0.2	S	C	.	.	H	α-helix	trans	-58.2	-51.3	171.1	174.2	61.4	0	0	0	112	Q38 P39 L40 L44 K45 N46 L68 I71	Q38-L42 PolarHBondContact O-N 2.94Å; P39-L42 PolarHBondContact O-N 3.3Å; L40-L42 VanDerWaalsContact C-N 3.3Å; L40-L42 PolarHBondContact O-N 2.85Å; L42-L44 VanDerWaalsContact C-N 3.32Å; L42-L44 PolarHBondContact O-N 2.69Å; L42-K45 PolarHBondContact O-N 2.96Å; L42-N46 VanDerWaalsContact O-CG 3.25Å; L42-N46 PolarHBondContact O-N 3.06Å; L42-N46 PolarHBondContact O-OD1 3.36Å; L42-L68 HydrophobicContact CB-CD2 3.95Å; L42-L68 HydrophobicContact CD1-CD2 3.95Å; L42-I71 HydrophobicContact CD1-CD1 3.44Å; L42-I71 VanDerWaalsContact CD1-CD1 3.44Å
43	L	98.8	Very high	98.2	Very high	59 Å²	59	33.3 Å²	33.3	31%	0.309	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-40.2	179.8	-67.3	174.6	0	0	0	111.9	P39 L40 N46 S47 A252 A256	P39-L43 VanDerWaalsContact O-CG 3.31Å; P39-L43 WeakPolarHBondContact O-CG 3.34Å; P39-L43 PolarHBondContact O-N 3.48Å; P39-L43 VanDerWaalsContact O-N 3.08Å; L40-L43 PolarHBondContact O-N 3.37Å; L43-N46 PolarHBondContact O-N 3.07Å; L43-S47 PolarHBondContact O-N 3.4Å; L43-A252 HydrophobicContact CD1-CB 4.26Å; L43-A256 HydrophobicContact CB-CB 3.78Å; L43-A256 HydrophobicContact CD1-CB 3.91Å
44	L	98.8	Very high	98.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-43.2	175.9	-68	172.4	0	0	0	111.9	V27 V29 L40 S41 L42 N46 S47 L53 V259 F260	V27-L44 HydrophobicContact CG1-CD1 4.01Å; V29-L44 HydrophobicContact CG2-CD1 3.52Å; L40-L44 HydrophobicContact CD1-CD1 4.12Å; L40-L44 HydrophobicContact CD1-CG 4.19Å; L40-L44 HydrophobicContact CG-CD1 3.98Å; L40-L44 HydrophobicContact CG-CG 4.45Å; L40-L44 VanDerWaalsContact O-CG 3.31Å; L40-L44 WeakPolarHBondContact O-CG 3.37Å; L40-L44 PolarHBondContact O-N 3Å; S41-L44 PolarHBondContact O-N 3.43Å; L42-L44 VanDerWaalsContact C-N 3.32Å; L42-L44 PolarHBondContact O-N 2.69Å; L44-N46 VanDerWaalsContact C-N 3.25Å; L44-N46 PolarHBondContact O-N 2.89Å; L44-S47 WeakPolarHBondContact O-CB 3.48Å; L44-S47 PolarHBondContact O-N 3.24Å; L44-S47 VanDerWaalsContact O-N 3.15Å; L44-L53 HydrophobicContact CB-CD1 4.11Å; L44-L53 HydrophobicContact CB-CD2 4.32Å; L44-L53 HydrophobicContact CD1-CD1 4.07Å; L44-V259 HydrophobicContact CD2-CB 4.08Å; L44-V259 HydrophobicContact CD2-CG1 3.69Å; L44-V259 HydrophobicContact CD2-CG2 4.5Å; L44-F260 HydrophobicContact CD2-CE1 3.76Å; L44-F260 HydrophobicContact CD2-CZ 4.22Å
45	K	98.7	Very high	98.4	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.03	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-33.9	174.9	173.6	55	173.4	158.4	0	112	S41 L42 S47 L53 L68 I71 T73 A75 V77	S41-K45 VanDerWaalsContact O-CB 3.31Å; S41-K45 WeakPolarHBondContact O-CB 3.36Å; S41-K45 PolarHBondContact O-N 3.49Å; L42-K45 PolarHBondContact O-N 2.96Å; K45-S47 PolarHBondContact O-N 3.44Å; K45-L53 HydrophobicContact CB-CD2 3.96Å; K45-L68 HydrophobicContact CB-CD2 4.43Å; K45-L68 WeakPolarHBondContact CE-O 3.38Å; K45-I71 WeakPolarHBondContact CE-O 3.36Å; K45-I71 HydrophobicContact CG-CB 4.23Å; K45-I71 HydrophobicContact CG-CD1 4.17Å; K45-I71 HydrophobicContact CG-CG2 4.44Å; K45-I71 PolarHBondContact NZ-O 3.23Å; K45-I71 VanDerWaalsContact NZ-O 3.14Å; K45-T73 WeakPolarHBondContact CD-OG1 3.18Å; K45-T73 WeakPolarHBondContact CE-OG1 3.42Å; K45-T73 PolarHBondContact NZ-O 2.83Å; K45-T73 PolarHBondContact NZ-OG1 2.92Å; K45-T73 WeakPolarHBondContact O-CB 3.24Å; K45-T73 PolarHBondContact O-OG1 3.33Å; K45-A75 HydrophobicContact CD-CB 4.02Å; K45-A75 PolarHBondContact NZ-O 2.93Å; K45-V77 HydrophobicContact CD-CG2 3.56Å; K45-V77 HydrophobicContact CG-CG2 4.29Å
46	N	98.6	Very high	98.5	Very high	76 Å²	76	29.1 Å²	29.1	41%	0.406	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.7	178.7	-70.5	-7.1	0	0	0	113.8	L42 L43 L44	L42-N46 VanDerWaalsContact O-CG 3.25Å; L42-N46 PolarHBondContact O-N 3.06Å; L42-N46 PolarHBondContact O-OD1 3.36Å; L43-N46 PolarHBondContact O-N 3.07Å; L44-N46 VanDerWaalsContact C-N 3.25Å; L44-N46 PolarHBondContact O-N 2.89Å
47	S	98	Very high	98.5	Very high	12 Å²	12	28.9 Å²	28.9	8%	0.084	15%	0.154	C	C	.	.			trans	-88.1	134.2	-175.4	-175.8	0	0	0	0	112.8	L43 L44 K45 L49 V50 F260	L43-S47 PolarHBondContact O-N 3.4Å; L44-S47 WeakPolarHBondContact O-CB 3.48Å; L44-S47 PolarHBondContact O-N 3.24Å; L44-S47 VanDerWaalsContact O-N 3.15Å; K45-S47 PolarHBondContact O-N 3.44Å; S47-L49 PolarHBondContact O-N 2.92Å; S47-L49 WeakPolarHBondContact OG-CB 3.43Å; S47-L49 PolarHBondContact OG-N 3.3Å; S47-V50 PolarHBondContact O-N 2.99Å; S47-F260 VanDerWaalsContact CB-CZ 3.44Å; S47-F260 VanDerWaalsContact OG-CE1 3.28Å; S47-F260 WeakPolarHBondContact OG-CE1 3.47Å
48	P	97.2	Very high	98.5	Very high	92 Å²	92	35 Å²	35	60%	0.597	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.7	172.8	30.7	-35.9	0	0	0	112.9	N24 V50	N24-P48 PolarHBondContact ND2-O 3.04Å; N24-P48 PolarHBondContact OD1-O 2.94Å; P48-V50 PolarHBondContact O-N 3.16Å
49	L	97.7	Very high	98.4	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.079	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.1	179.1	-61.7	-178.7	0	0	0	113.2	Q22 N24 A25 S47 F260 V263	Q22-L49 VanDerWaalsContact NE2-CD2 3.26Å; N24-L49 CarbonylContact C-O 3.03Å; N24-L49 WeakPolarHBondContact CA-O 3.35Å; A25-L49 PolarHBondContact N-O 2.96Å; S47-L49 PolarHBondContact O-N 2.92Å; S47-L49 WeakPolarHBondContact OG-CB 3.43Å; S47-L49 PolarHBondContact OG-N 3.3Å; L49-F260 HydrophobicContact CD1-CB 3.92Å; L49-F260 HydrophobicContact CD1-CD1 4.06Å; L49-F260 HydrophobicContact CD1-CG 4.22Å; L49-V263 HydrophobicContact CB-CG1 3.88Å; L49-V263 HydrophobicContact CD1-CB 4.49Å; L49-V263 HydrophobicContact CD1-CG1 4.41Å
50	V	98.4	Very high	98.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.1	-175.4	-176.8	0	0	0	0	109.8	A25 V27 S47 P48 R52 L53 A75	A25-V50 WeakPolarHBondContact O-CA 3.29Å; V27-V50 HydrophobicContact CB-CG1 4.38Å; V27-V50 HydrophobicContact CG2-CG1 4.16Å; V27-V50 HydrophobicContact CG2-CG2 4.02Å; S47-V50 PolarHBondContact O-N 2.99Å; P48-V50 PolarHBondContact O-N 3.16Å; V50-R52 WeakPolarHBondContact CG1-O 3.32Å; V50-L53 HydrophobicContact CG1-CB 4.27Å; V50-A75 HydrophobicContact CB-CB 4.24Å; V50-A75 HydrophobicContact CG1-CB 4Å; V50-A75 VanDerWaalsContact O-CB 3.3Å; V50-A75 WeakPolarHBondContact O-CB 3.22Å
51	S	97.7	Very high	98.3	Very high	39 Å²	39	38 Å²	38	27%	0.273	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-32.7	173.8	53.3	0	0	0	0	112.5	N24 A25 A75 A76	N24-S51 VanDerWaalsContact CB-CB 3.5Å; N24-S51 PolarHBondContact O-OG 3.35Å; A25-S51 PolarHBondContact O-N 3.12Å; A25-S51 PolarHBondContact O-OG 3.33Å; S51-A75 WeakPolarHBondContact O-CA 3.34Å; S51-A76 PolarHBondContact O-N 2.68Å
52	R	98.5	Very high	98.3	Very high	80 Å²	80	41.4 Å²	41.4	30%	0.302	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	129.6	-177.7	-168.2	171.9	68	169.1	10	109.4	K26 V27 V50 T54 A76 K91	K26-R52 CarbonylContact C-O 3.5Å; K26-R52 WeakPolarHBondContact CA-O 3.18Å; K26-R52 HydrophobicContact CB-CB 4.31Å; K26-R52 HydrophobicContact CG-CB 3.92Å; V27-R52 PolarHBondContact N-O 3.36Å; V50-R52 WeakPolarHBondContact CG1-O 3.32Å; R52-T54 HydrophobicContact CG-CG2 4.32Å; R52-A76 WeakPolarHBondContact CA-O 2.75Å; R52-K91 PolarHBondContact NH2-O 3.26Å
53	L	98.8	Very high	98.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	109.3	176.7	-179.1	61.8	0	0	0	108.8	V27 V29 S41 L44 K45 V50 L55 A76 V77 K78	V27-L53 HydrophobicContact CB-CD1 4.43Å; V27-L53 WeakPolarHBondContact O-CA 3.4Å; V29-L53 HydrophobicContact CG2-CD1 4.04Å; S41-L53 WeakPolarHBondContact O-CD2 3.22Å; L44-L53 HydrophobicContact CB-CD1 4.11Å; L44-L53 HydrophobicContact CB-CD2 4.32Å; L44-L53 HydrophobicContact CD1-CD1 4.07Å; K45-L53 HydrophobicContact CB-CD2 3.96Å; V50-L53 HydrophobicContact CG1-CB 4.27Å; L53-L55 HydrophobicContact CD1-CD2 3.9Å; L53-L55 HydrophobicContact CD2-CD2 4.01Å; L53-L55 HydrophobicContact CG-CD2 3.66Å; L53-L55 HydrophobicContact CG-CG 4.28Å; L53-A76 PolarHBondContact N-O 3.06Å; L53-V77 HydrophobicContact CB-CG2 4.44Å; L53-V77 HydrophobicContact CD2-CG2 4.46Å; L53-V77 WeakPolarHBondContact O-CA 3.47Å; L53-K78 PolarHBondContact O-N 2.82Å
54	T	98.9	Very high	98.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.8	174.4	55.1	0	0	0	0	109.5	V27 A28 V29 R52 K78 Y80 C89	V27-T54 PolarHBondContact O-N 3.21Å; A28-T54 CarbonylContact C-O 3.58Å; A28-T54 VanDerWaalsContact CA-O 3.26Å; A28-T54 WeakPolarHBondContact CA-O 3.33Å; A28-T54 WeakPolarHBondContact CA-OG1 3.29Å; A28-T54 WeakPolarHBondContact CB-OG1 3.29Å; V29-T54 PolarHBondContact N-O 2.87Å; R52-T54 HydrophobicContact CG-CG2 4.32Å; T54-K78 WeakPolarHBondContact CA-O 3.38Å; T54-Y80 HydrophobicContact CG2-CE2 3.77Å; T54-C89 WeakPolarHBondContact CB-O 3.44Å; T54-C89 VanDerWaalsContact CB-SG 3.54Å; T54-C89 PolarHBondContact OG1-O 3.23Å
55	L	98.9	Very high	98.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.8	-175.1	-57.1	-177.9	0	0	0	108.2	V29 A32 S41 L53 T61 V64 A65 L68 V77 K78 G79 Y80	V29-L55 HydrophobicContact CB-CD2 4.04Å; V29-L55 HydrophobicContact CG2-CD2 4.23Å; A32-L55 HydrophobicContact CB-CB 3.72Å; A32-L55 HydrophobicContact CB-CD2 3.97Å; A32-L55 HydrophobicContact CB-CG 4.31Å; S41-L55 VanDerWaalsContact OG-CD2 3.3Å; S41-L55 WeakPolarHBondContact OG-CD2 3.43Å; L53-L55 HydrophobicContact CD1-CD2 3.9Å; L53-L55 HydrophobicContact CD2-CD2 4.01Å; L53-L55 HydrophobicContact CG-CD2 3.66Å; L53-L55 HydrophobicContact CG-CG 4.28Å; L55-T61 HydrophobicContact CB-CG2 3.76Å; L55-T61 VanDerWaalsContact O-CG2 3.27Å; L55-T61 WeakPolarHBondContact O-CG2 3.31Å; L55-V64 HydrophobicContact CD1-CG1 4.16Å; L55-A65 HydrophobicContact CD1-CB 4.31Å; L55-L68 HydrophobicContact CD1-CD1 3.66Å; L55-V77 HydrophobicContact CD1-CG1 3.81Å; L55-V77 HydrophobicContact CG-CG1 4.3Å; L55-K78 PolarHBondContact N-O 3.44Å; L55-G79 CarbonylContact O-C 3.24Å; L55-Y80 PolarHBondContact O-N 2.9Å
56	Y	98.9	Very high	98.3	Very high	11 Å²	11	40.6 Å²	40.6	4%	0.043	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.5	177.2	175.6	-96.8	0	0	0	110.9	V29 L30 G31 A32 Y80 G82 L86 L124	V29-Y56 PolarHBondContact O-N 3.01Å; L30-Y56 HydrophobicContact CB-CD1 4.3Å; L30-Y56 HydrophobicContact CD2-CD1 4.13Å; L30-Y56 HydrophobicContact CD2-CG 4.13Å; G31-Y56 PolarHBondContact N-O 2.97Å; A32-Y56 PolarHBondContact N-O 2.94Å; Y56-Y80 WeakPolarHBondContact CA-O 3.43Å; Y56-G82 VanDerWaalsContact CE2-O 3.29Å; Y56-G82 WeakPolarHBondContact CE2-O 3.44Å; Y56-L86 HydrophobicContact CD1-CD1 3.77Å; Y56-L86 HydrophobicContact CD2-CB 4.07Å; Y56-L86 HydrophobicContact CD2-CD1 3.72Å; Y56-L86 HydrophobicContact CD2-CG 4.47Å; Y56-L86 HydrophobicContact CE1-CD1 3.89Å; Y56-L86 HydrophobicContact CE1-CD2 4.37Å; Y56-L86 HydrophobicContact CE2-CB 3.51Å; Y56-L86 HydrophobicContact CE2-CD1 3.81Å; Y56-L86 HydrophobicContact CE2-CG 4.14Å; Y56-L86 HydrophobicContact CG-CD1 3.68Å; Y56-L124 HydrophobicContact CD1-CD2 4.21Å; Y56-L124 HydrophobicContact CE1-CD2 3.69Å
57	D	98.7	Very high	98.3	Very high	23 Å²	23	42.3 Å²	42.3	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	170.6	167.3	-147.6	-64.9	0	0	0	109.5	G31 A32 S33 A59 T61 Y80 L81 G82	G31-D57 WeakPolarHBondContact CA-OD2 3.3Å; A32-D57 PolarHBondContact N-OD2 3.34Å; S33-D57 WeakPolarHBondContact CA-OD2 3.42Å; S33-D57 WeakPolarHBondContact CB-OD2 3.38Å; S33-D57 PolarHBondContact N-OD2 2.73Å; S33-D57 WeakPolarHBondContact OG-CB 3.3Å; D57-A59 WeakPolarHBondContact CB-O 3.42Å; D57-A59 PolarHBondContact OD1-N 3.26Å; D57-T61 WeakPolarHBondContact CA-OG1 3.39Å; D57-T61 HydrophobicContact CB-CG2 4.41Å; D57-T61 WeakPolarHBondContact CB-OG1 3.37Å; D57-T61 PolarHBondContact N-OG1 3.21Å; D57-Y80 PolarHBondContact N-O 2.89Å; D57-L81 WeakPolarHBondContact O-CA 3.43Å; D57-G82 PolarHBondContact O-N 3.24Å
58	I	97.5	Very high	98.3	Very high	129 Å²	129	42.1 Å²	42.1	66%	0.662	25%	0.249	S	C	*	.	S	Bend	trans	-85.4	-13.6	171.3	61.6	169.2	0	0	0	112.1	L81	I58-L81 VanDerWaalsContact C-CD1 3.45Å; I58-L81 WeakPolarHBondContact O-CD1 3.36Å
59	A	97.3	Very high	98.4	Very high	34 Å²	34	40.6 Å²	40.6	28%	0.281	24%	0.24	S	C	.	.	S	Bend	trans	-145.7	152.4	179.4	0	0	0	0	0	112.2	S33 D57 T61	S33-A59 WeakPolarHBondContact CB-O 3.43Å; S33-A59 PolarHBondContact OG-O 2.77Å; D57-A59 WeakPolarHBondContact CB-O 3.42Å; D57-A59 PolarHBondContact OD1-N 3.26Å; A59-T61 PolarHBondContact O-N 3.07Å
60	H	97.9	Very high	98.4	Very high	148 Å²	148	47.5 Å²	47.5	69%	0.685	27%	0.272	S	S	*	.	S	Bend	trans	63.4	-7.5	168.5	-48.6	-63.6	0	0	0	118.4	P62 G63 V64	H60-P62 VanDerWaalsContact C-CD 3.42Å; H60-P62 VanDerWaalsContact C-N 3.35Å; H60-G63 PolarHBondContact O-N 2.97Å; H60-V64 PolarHBondContact O-N 3.21Å
61	T	98.3	Very high	98.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-54.1	-38.2	-173.8	-26.1	0	0	0	0	115.2	S33 L55 D57 A59 G63 V64 A65 Y80	S33-T61 PolarHBondContact OG-N 3.27Å; L55-T61 HydrophobicContact CB-CG2 3.76Å; L55-T61 VanDerWaalsContact O-CG2 3.27Å; L55-T61 WeakPolarHBondContact O-CG2 3.31Å; D57-T61 WeakPolarHBondContact CA-OG1 3.39Å; D57-T61 HydrophobicContact CB-CG2 4.41Å; D57-T61 WeakPolarHBondContact CB-OG1 3.37Å; D57-T61 PolarHBondContact N-OG1 3.21Å; A59-T61 PolarHBondContact O-N 3.07Å; T61-G63 VanDerWaalsContact C-N 3.3Å; T61-G63 PolarHBondContact O-N 3.09Å; T61-V64 PolarHBondContact O-N 3.46Å; T61-A65 WeakPolarHBondContact O-CB 3.44Å; T61-A65 PolarHBondContact O-N 2.89Å; T61-Y80 VanDerWaalsContact CB-O 3.31Å; T61-Y80 WeakPolarHBondContact CB-O 3.27Å; T61-Y80 WeakPolarHBondContact CG2-O 3.33Å; T61-Y80 PolarHBondContact OG1-O 3.02Å; T61-Y80 VanDerWaalsContact OG1-O 3.08Å
62	P	98.3	Very high	98.5	Very high	71 Å²	71	57.6 Å²	57.6	46%	0.461	32%	0.316	S	S	.	.	H	α-helix	trans	-58.4	-39.6	176.4	-27.5	36.8	0	0	0	113.3	H60 A66 L81	H60-P62 VanDerWaalsContact C-CD 3.42Å; H60-P62 VanDerWaalsContact C-N 3.35Å; P62-A66 WeakPolarHBondContact O-CB 3.34Å; P62-A66 PolarHBondContact O-N 3.3Å; P62-L81 HydrophobicContact CG-CB 4.32Å; P62-L81 HydrophobicContact CG-CD2 4.18Å
63	G	98.5	Very high	98.5	Very high	49 Å²	49	56.1 Å²	56.1	51%	0.505	32%	0.316	S	S	.	.	H	α-helix	trans	-69	-44	177.8	0	0	0	0	0	112.2	H60 T61 A65 A66 D67	H60-G63 PolarHBondContact O-N 2.97Å; T61-G63 VanDerWaalsContact C-N 3.3Å; T61-G63 PolarHBondContact O-N 3.09Å; G63-A65 VanDerWaalsContact C-N 3.32Å; G63-A65 PolarHBondContact O-N 3.29Å; G63-A66 PolarHBondContact O-N 3.01Å; G63-D67 WeakPolarHBondContact O-CB 3.22Å; G63-D67 PolarHBondContact O-N 3.5Å
64	V	98.7	Very high	98.4	Very high	14 Å²	14	65.2 Å²	65.2	9%	0.085	36%	0.355	C	S	.	.	H	α-helix	trans	-61.7	-41.2	177	179.8	0	0	0	0	111.3	Q38 L55 H60 T61 L68	Q38-V64 HydrophobicContact CG-CG1 4.16Å; Q38-V64 HydrophobicContact CG-CG2 4.12Å; L55-V64 HydrophobicContact CD1-CG1 4.16Å; H60-V64 PolarHBondContact O-N 3.21Å; T61-V64 PolarHBondContact O-N 3.46Å; V64-L68 HydrophobicContact CG1-CD1 4.07Å; V64-L68 WeakPolarHBondContact O-CG 3.35Å; V64-L68 PolarHBondContact O-N 3.46Å; V64-L68 VanDerWaalsContact O-N 3.12Å
65	A	98.8	Very high	98.4	Very high	10 Å²	10	65.2 Å²	65.2	8%	0.083	36%	0.355	C	S	.	.	H	α-helix	trans	-68.4	-40.6	177.3	0	0	0	0	0	112.6	L55 T61 G63 S69 V77 G79	L55-A65 HydrophobicContact CD1-CB 4.31Å; T61-A65 WeakPolarHBondContact O-CB 3.44Å; T61-A65 PolarHBondContact O-N 2.89Å; G63-A65 VanDerWaalsContact C-N 3.32Å; G63-A65 PolarHBondContact O-N 3.29Å; A65-S69 VanDerWaalsContact O-CB 3.26Å; A65-S69 WeakPolarHBondContact O-CB 3.38Å; A65-S69 PolarHBondContact O-N 3.32Å; A65-V77 HydrophobicContact CB-CG1 4.1Å; A65-G79 VanDerWaalsContact CB-N 3.33Å
66	A	98.7	Very high	98.3	Very high	48 Å²	48	68.1 Å²	68.1	40%	0.397	38%	0.379	S	S	.	.	H	α-helix	trans	-59.6	-48.4	175.8	0	0	0	0	0	111	P62 G63 S69	P62-A66 WeakPolarHBondContact O-CB 3.34Å; P62-A66 PolarHBondContact O-N 3.3Å; G63-A66 PolarHBondContact O-N 3.01Å; A66-S69 PolarHBondContact O-N 3.44Å; A66-S69 PolarHBondContact O-OG 2.93Å
67	D	98.8	Very high	98.3	Very high	111 Å²	111	69 Å²	69	59%	0.594	39%	0.386	S	S	*	.	H	α-helix	trans	-55.2	-56.7	176.7	-174.3	7.7	0	0	0	111.7	G63 S69 H70	G63-D67 WeakPolarHBondContact O-CB 3.22Å; G63-D67 PolarHBondContact O-N 3.5Å; D67-S69 VanDerWaalsContact C-N 3.25Å; D67-S69 PolarHBondContact O-N 3.28Å; D67-H70 PolarHBondContact O-N 3.07Å
68	L	98.8	Very high	98.3	Very high	9 Å²	9	73.5 Å²	73.5	5%	0.047	40%	0.404	C	S	.	.	H	α-helix	trans	-63.8	-27.2	-179.2	-72.1	171.6	0	0	0	114	L42 K45 L55 V64 H70 I71 V77	L42-L68 HydrophobicContact CB-CD2 3.95Å; L42-L68 HydrophobicContact CD1-CD2 3.95Å; K45-L68 HydrophobicContact CB-CD2 4.43Å; K45-L68 WeakPolarHBondContact CE-O 3.38Å; L55-L68 HydrophobicContact CD1-CD1 3.66Å; V64-L68 HydrophobicContact CG1-CD1 4.07Å; V64-L68 WeakPolarHBondContact O-CG 3.35Å; V64-L68 PolarHBondContact O-N 3.46Å; V64-L68 VanDerWaalsContact O-N 3.12Å; L68-H70 PolarHBondContact O-N 3.09Å; L68-I71 HydrophobicContact CD2-CD1 3.85Å; L68-I71 PolarHBondContact O-N 3.17Å; L68-V77 HydrophobicContact CB-CG1 4.21Å; L68-V77 HydrophobicContact CB-CG2 4.34Å
69	S	98.5	Very high	98.4	Very high	60 Å²	60	68.3 Å²	68.3	42%	0.42	38%	0.383	S	S	.	.	H	α-helix	trans	-68.3	-20.9	-178.1	75.4	0	0	0	0	113.6	A65 A66 D67 I71	A65-S69 VanDerWaalsContact O-CB 3.26Å; A65-S69 WeakPolarHBondContact O-CB 3.38Å; A65-S69 PolarHBondContact O-N 3.32Å; A66-S69 PolarHBondContact O-N 3.44Å; A66-S69 PolarHBondContact O-OG 2.93Å; D67-S69 VanDerWaalsContact C-N 3.25Å; D67-S69 PolarHBondContact O-N 3.28Å; S69-I71 VanDerWaalsContact C-N 3.27Å; S69-I71 PolarHBondContact O-N 2.94Å
70	H	98.6	Very high	98.4	Very high	160 Å²	160	67.6 Å²	67.6	74%	0.741	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-12	178.5	-63	168.9	0	0	0	113.5	D67 L68	D67-H70 PolarHBondContact O-N 3.07Å; L68-H70 PolarHBondContact O-N 3.09Å
71	I	98.6	Very high	98.5	Very high	50 Å²	50	63.7 Å²	63.7	26%	0.256	36%	0.357	S	S	.	.	S	Bend	trans	-75	128.5	-179.6	-58.7	174.1	0	0	0	109.9	L42 K45 L68 S69 T73	L42-I71 HydrophobicContact CD1-CD1 3.44Å; L42-I71 VanDerWaalsContact CD1-CD1 3.44Å; K45-I71 WeakPolarHBondContact CE-O 3.36Å; K45-I71 HydrophobicContact CG-CB 4.23Å; K45-I71 HydrophobicContact CG-CD1 4.17Å; K45-I71 HydrophobicContact CG-CG2 4.44Å; K45-I71 PolarHBondContact NZ-O 3.23Å; K45-I71 VanDerWaalsContact NZ-O 3.14Å; L68-I71 HydrophobicContact CD2-CD1 3.85Å; L68-I71 PolarHBondContact O-N 3.17Å; S69-I71 VanDerWaalsContact C-N 3.27Å; S69-I71 PolarHBondContact O-N 2.94Å; I71-T73 HydrophobicContact CG2-CG2 4.04Å; I71-T73 PolarHBondContact O-N 3.37Å
72	E	98.3	Very high	98.5	Very high	201 Å²	201	64.3 Å²	64.3	94%	0.939	36%	0.363	S	S	*	.	S	Bend	trans	-71.9	45.9	-174.4	61.1	173.8	171.3	0	0	115.5
73	T	98.1	Very high	98.4	Very high	48 Å²	48	65.7 Å²	65.7	29%	0.294	37%	0.372	S	S	.	.	S	Bend	trans	-116.8	163.9	174.7	64.6	0	0	0	0	112.3	K45 I71 A75	K45-T73 WeakPolarHBondContact CD-OG1 3.18Å; K45-T73 WeakPolarHBondContact CE-OG1 3.42Å; K45-T73 PolarHBondContact NZ-O 2.83Å; K45-T73 PolarHBondContact NZ-OG1 2.92Å; K45-T73 WeakPolarHBondContact O-CB 3.24Å; K45-T73 PolarHBondContact O-OG1 3.33Å; I71-T73 HydrophobicContact CG2-CG2 4.04Å; I71-T73 PolarHBondContact O-N 3.37Å; T73-A75 PolarHBondContact O-N 3.14Å
74	K	97.1	Very high	98.4	Very high	191 Å²	191	72.2 Å²	72.2	83%	0.83	39%	0.39	S	S	*	.	S	Bend	trans	-69.2	-26.6	-170.7	-66.8	-63.5	-175.8	-175	0	115.5	A76	K74-A76 PolarHBondContact O-N 2.91Å
75	A	98.1	Very high	98.4	Very high	2 Å²	2	75.5 Å²	75.5	2%	0.017	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-64	122.7	-174.5	0	0	0	0	0	111.5	K45 V50 S51 T73 V77	K45-A75 HydrophobicContact CD-CB 4.02Å; K45-A75 PolarHBondContact NZ-O 2.93Å; V50-A75 HydrophobicContact CB-CB 4.24Å; V50-A75 HydrophobicContact CG1-CB 4Å; V50-A75 VanDerWaalsContact O-CB 3.3Å; V50-A75 WeakPolarHBondContact O-CB 3.22Å; S51-A75 WeakPolarHBondContact O-CA 3.34Å; T73-A75 PolarHBondContact O-N 3.14Å; A75-V77 PolarHBondContact O-N 3.38Å
76	A	98.4	Very high	98.4	Very high	61 Å²	61	75.5 Å²	75.5	50%	0.504	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.2	170.9	0	0	0	0	0	109.7	S51 R52 L53 K74	S51-A76 PolarHBondContact O-N 2.68Å; R52-A76 WeakPolarHBondContact CA-O 2.75Å; L53-A76 PolarHBondContact N-O 3.06Å; K74-A76 PolarHBondContact O-N 2.91Å
77	V	98.7	Very high	98.4	Very high	29 Å²	29	75.2 Å²	75.2	18%	0.176	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.2	-178.9	-174.2	0	0	0	0	110	K45 L53 L55 A65 L68 A75	K45-V77 HydrophobicContact CD-CG2 3.56Å; K45-V77 HydrophobicContact CG-CG2 4.29Å; L53-V77 HydrophobicContact CB-CG2 4.44Å; L53-V77 HydrophobicContact CD2-CG2 4.46Å; L53-V77 WeakPolarHBondContact O-CA 3.47Å; L55-V77 HydrophobicContact CD1-CG1 3.81Å; L55-V77 HydrophobicContact CG-CG1 4.3Å; A65-V77 HydrophobicContact CB-CG1 4.1Å; L68-V77 HydrophobicContact CB-CG1 4.21Å; L68-V77 HydrophobicContact CB-CG2 4.34Å; A75-V77 PolarHBondContact O-N 3.38Å
78	K	98.7	Very high	98.4	Very high	118 Å²	118	74.6 Å²	74.6	51%	0.513	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	129.5	171.2	-172.6	169.2	172.1	-171.4	0	110.9	L53 T54 L55 Y80	L53-K78 PolarHBondContact O-N 2.82Å; T54-K78 WeakPolarHBondContact CA-O 3.38Å; L55-K78 PolarHBondContact N-O 3.44Å; K78-Y80 HydrophobicContact CB-CE2 3.94Å; K78-Y80 HydrophobicContact CD-CE1 4.31Å; K78-Y80 HydrophobicContact CD-CE2 3.98Å; K78-Y80 WeakPolarHBondContact CD-OH 3.49Å; K78-Y80 HydrophobicContact CG-CD2 4.38Å; K78-Y80 HydrophobicContact CG-CE2 3.69Å
79	G	98.7	Very high	98.4	Very high	20 Å²	20	74.1 Å²	74.1	21%	0.206	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	142	175.8	0	0	0	0	0	112.2	L55 A65	L55-G79 CarbonylContact O-C 3.24Å; A65-G79 VanDerWaalsContact CB-N 3.33Å
80	Y	98.9	Very high	98.4	Very high	19 Å²	19	71.3 Å²	71.3	8%	0.075	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.9	178.4	-64.1	-91.7	0	0	0	109	T54 L55 Y56 D57 T61 K78 Q85 D88 C89	T54-Y80 HydrophobicContact CG2-CE2 3.77Å; L55-Y80 PolarHBondContact O-N 2.9Å; Y56-Y80 WeakPolarHBondContact CA-O 3.43Å; D57-Y80 PolarHBondContact N-O 2.89Å; T61-Y80 VanDerWaalsContact CB-O 3.31Å; T61-Y80 WeakPolarHBondContact CB-O 3.27Å; T61-Y80 WeakPolarHBondContact CG2-O 3.33Å; T61-Y80 PolarHBondContact OG1-O 3.02Å; T61-Y80 VanDerWaalsContact OG1-O 3.08Å; K78-Y80 HydrophobicContact CB-CE2 3.94Å; K78-Y80 HydrophobicContact CD-CE1 4.31Å; K78-Y80 HydrophobicContact CD-CE2 3.98Å; K78-Y80 WeakPolarHBondContact CD-OH 3.49Å; K78-Y80 HydrophobicContact CG-CD2 4.38Å; K78-Y80 HydrophobicContact CG-CE2 3.69Å; Y80-Q85 HydrophobicContact CD1-CB 4.1Å; Y80-Q85 WeakPolarHBondContact CD1-O 3.07Å; Y80-D88 HydrophobicContact CD1-CB 4Å; Y80-D88 HydrophobicContact CE1-CB 3.42Å; Y80-D88 VanDerWaalsContact CE1-CB 3.42Å; Y80-D88 PolarHBondContact OH-O 2.94Å; Y80-D88 VanDerWaalsContact OH-O 3.1Å; Y80-C89 HydrophobicContact CD1-CB 4.24Å; Y80-C89 HydrophobicContact CD2-CB 3.6Å; Y80-C89 HydrophobicContact CE2-CB 4.11Å; Y80-C89 HydrophobicContact CG-CB 3.65Å
81	L	98.6	Very high	98.4	Very high	66 Å²	66	70.8 Å²	70.8	35%	0.346	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.5	-172	-177.1	66.8	0	0	0	111.1	D57 I58 P62 Q85	D57-L81 WeakPolarHBondContact O-CA 3.43Å; I58-L81 VanDerWaalsContact C-CD1 3.45Å; I58-L81 WeakPolarHBondContact O-CD1 3.36Å; P62-L81 HydrophobicContact CG-CB 4.32Å; P62-L81 HydrophobicContact CG-CD2 4.18Å; L81-Q85 WeakPolarHBondContact O-CG 3.44Å
82	G	98.2	Very high	98.3	Very high	14 Å²	14	70.3 Å²	70.3	14%	0.144	38%	0.375	C	S	.	.	S	Bend	trans	78.1	162.7	172.4	0	0	0	0	0	114.8	Y56 D57 E84 Q85	Y56-G82 VanDerWaalsContact CE2-O 3.29Å; Y56-G82 WeakPolarHBondContact CE2-O 3.44Å; D57-G82 PolarHBondContact O-N 3.24Å; G82-E84 VanDerWaalsContact C-N 3.27Å; G82-E84 PolarHBondContact O-N 3.33Å; G82-E84 VanDerWaalsContact O-N 3.12Å; G82-Q85 PolarHBondContact O-N 3.43Å
83	P	97.5	Very high	98.3	Very high	100 Å²	100	61.1 Å²	61.1	65%	0.649	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-54.1	-36	-169.5	-28.4	36.2	0	0	0	115.3	Q85 L86	P83-Q85 PolarHBondContact O-N 3.34Å; P83-L86 WeakPolarHBondContact O-CB 3.43Å; P83-L86 PolarHBondContact O-N 2.81Å
84	E	97.9	Very high	98.4	Very high	186 Å²	186	61.8 Å²	61.8	87%	0.869	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-61.8	-28.9	-179.3	-61.7	-179.8	-178.6	0	0	113.1	G82	G82-E84 VanDerWaalsContact C-N 3.27Å; G82-E84 PolarHBondContact O-N 3.33Å; G82-E84 VanDerWaalsContact O-N 3.12Å
85	Q	98.6	Very high	98.4	Very high	83 Å²	83	52.7 Å²	52.7	39%	0.388	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-96.4	-6.4	-177.9	-64.3	-170.6	13.5	0	0	113.3	Y80 L81 G82 P83 D88 C89	Y80-Q85 HydrophobicContact CD1-CB 4.1Å; Y80-Q85 WeakPolarHBondContact CD1-O 3.07Å; L81-Q85 WeakPolarHBondContact O-CG 3.44Å; G82-Q85 PolarHBondContact O-N 3.43Å; P83-Q85 PolarHBondContact O-N 3.34Å; Q85-D88 PolarHBondContact O-N 3.4Å; Q85-C89 PolarHBondContact O-N 3.09Å
86	L	98.7	Very high	98.5	Very high	9 Å²	9	52.6 Å²	52.6	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-44.1	-180	-179	55.9	0	0	0	113	L30 Y56 P83 D88 C89 L90 L124 A127	L30-L86 HydrophobicContact CD2-CD1 3.95Å; Y56-L86 HydrophobicContact CD1-CD1 3.77Å; Y56-L86 HydrophobicContact CD2-CB 4.07Å; Y56-L86 HydrophobicContact CD2-CD1 3.72Å; Y56-L86 HydrophobicContact CD2-CG 4.47Å; Y56-L86 HydrophobicContact CE1-CD1 3.89Å; Y56-L86 HydrophobicContact CE1-CD2 4.37Å; Y56-L86 HydrophobicContact CE2-CB 3.51Å; Y56-L86 HydrophobicContact CE2-CD1 3.81Å; Y56-L86 HydrophobicContact CE2-CG 4.14Å; Y56-L86 HydrophobicContact CG-CD1 3.68Å; P83-L86 WeakPolarHBondContact O-CB 3.43Å; P83-L86 PolarHBondContact O-N 2.81Å; L86-D88 VanDerWaalsContact C-N 3.32Å; L86-D88 PolarHBondContact O-N 3.43Å; L86-C89 WeakPolarHBondContact O-CB 3.41Å; L86-C89 PolarHBondContact O-N 3.07Å; L86-C89 VanDerWaalsContact O-N 3.13Å; L86-L90 HydrophobicContact CD1-CD1 3.82Å; L86-L90 HydrophobicContact CD1-CG 4.02Å; L86-L90 HydrophobicContact CG-CD1 3.89Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 2.97Å; L86-L124 HydrophobicContact CD1-CD2 4.45Å; L86-L124 HydrophobicContact CD2-CD2 3.88Å; L86-A127 HydrophobicContact CD2-CB 3.45Å; L86-A127 VanDerWaalsContact CD2-CB 3.45Å; L86-A127 HydrophobicContact CG-CB 3.9Å
87	P	98.7	Very high	98.5	Very high	43 Å²	43	49.7 Å²	49.7	28%	0.279	27%	0.27	S	S	.	.	H	α-helix	trans	-56.7	-43	177.8	-27.3	37	0	0	0	113.4	C89 L90 K91 H131	P87-C89 VanDerWaalsContact C-N 3.3Å; P87-C89 PolarHBondContact O-N 2.92Å; P87-L90 PolarHBondContact O-N 3.22Å; P87-K91 PolarHBondContact O-N 2.94Å; P87-H131 WeakPolarHBondContact CG-NE2 3.22Å
88	D	98.6	Very high	98.5	Very high	97 Å²	97	48.3 Å²	48.3	52%	0.519	26%	0.261	S	S	.	.	H	α-helix	trans	-70.3	-27	179.9	-74.1	-27.5	0	0	0	113	Y80 Q85 L86 L90	Y80-D88 HydrophobicContact CD1-CB 4Å; Y80-D88 HydrophobicContact CE1-CB 3.42Å; Y80-D88 VanDerWaalsContact CE1-CB 3.42Å; Y80-D88 PolarHBondContact OH-O 2.94Å; Y80-D88 VanDerWaalsContact OH-O 3.1Å; Q85-D88 PolarHBondContact O-N 3.4Å; L86-D88 VanDerWaalsContact C-N 3.32Å; L86-D88 PolarHBondContact O-N 3.43Å; D88-L90 VanDerWaalsContact C-N 3.34Å
89	C	98.8	Very high	98.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.1	-37.4	172	-174.3	0	0	0	0	111.7	T54 Y80 Q85 L86 P87 C93	T54-C89 WeakPolarHBondContact CB-O 3.44Å; T54-C89 VanDerWaalsContact CB-SG 3.54Å; T54-C89 PolarHBondContact OG1-O 3.23Å; Y80-C89 HydrophobicContact CD1-CB 4.24Å; Y80-C89 HydrophobicContact CD2-CB 3.6Å; Y80-C89 HydrophobicContact CE2-CB 4.11Å; Y80-C89 HydrophobicContact CG-CB 3.65Å; Q85-C89 PolarHBondContact O-N 3.09Å; L86-C89 WeakPolarHBondContact O-CB 3.41Å; L86-C89 PolarHBondContact O-N 3.07Å; L86-C89 VanDerWaalsContact O-N 3.13Å; P87-C89 VanDerWaalsContact C-N 3.3Å; P87-C89 PolarHBondContact O-N 2.92Å; C89-C93 PolarHBondContact O-SG 3Å; C89-C93 VanDerWaalsContact O-SG 3.33Å
90	L	98.8	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-86.8	-28.9	-171.4	-67.8	171.9	0	0	0	113.4	A28 L30 L86 P87 D88 G92 C93 V96 A127 H131 C132	A28-L90 HydrophobicContact CB-CD2 4.48Å; L30-L90 HydrophobicContact CD1-CD2 4.17Å; L30-L90 HydrophobicContact CD2-CD2 3.96Å; L86-L90 HydrophobicContact CD1-CD1 3.82Å; L86-L90 HydrophobicContact CD1-CG 4.02Å; L86-L90 HydrophobicContact CG-CD1 3.89Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 2.97Å; P87-L90 PolarHBondContact O-N 3.22Å; D88-L90 VanDerWaalsContact C-N 3.34Å; L90-G92 PolarHBondContact O-N 2.99Å; L90-G92 VanDerWaalsContact O-N 3.08Å; L90-C93 WeakPolarHBondContact O-CB 3.38Å; L90-C93 PolarHBondContact O-N 3.42Å; L90-C93 PolarHBondContact O-SG 3.44Å; L90-V96 HydrophobicContact CD2-CG1 4.14Å; L90-V96 HydrophobicContact CD2-CG2 4.09Å; L90-A127 HydrophobicContact CD1-CB 3.68Å; L90-H131 HydrophobicContact CB-CB 3.86Å; L90-H131 HydrophobicContact CD1-CB 4.28Å; L90-C132 WeakPolarHBondContact O-CB 3.3Å
91	K	98.3	Very high	98.2	Very high	149 Å²	149	43.7 Å²	43.7	65%	0.648	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	115.2	-172	-172	175.2	-178	175	0	113.4	R52 P87 C93	R52-K91 PolarHBondContact NH2-O 3.26Å; P87-K91 PolarHBondContact O-N 2.94Å; K91-C93 VanDerWaalsContact C-N 3.35Å
92	G	97.1	Very high	97.7	Very high	41 Å²	41	42.6 Å²	42.6	42%	0.423	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	25.7	176.8	0	0	0	0	0	114.3	K26 L90	K26-G92 WeakPolarHBondContact CD-O 3.29Å; L90-G92 PolarHBondContact O-N 2.99Å; L90-G92 VanDerWaalsContact O-N 3.08Å
93	C	98.6	Very high	97	Very high	8 Å²	8	44.8 Å²	44.8	5%	0.054	26%	0.257	C	S	.	.			trans	-72.6	143.2	168.9	-66.7	0	0	0	0	111.3	A28 C89 L90 K91 V96 A135	A28-C93 HydrophobicContact CB-CB 4.44Å; C89-C93 PolarHBondContact O-SG 3Å; C89-C93 VanDerWaalsContact O-SG 3.33Å; L90-C93 WeakPolarHBondContact O-CB 3.38Å; L90-C93 PolarHBondContact O-N 3.42Å; L90-C93 PolarHBondContact O-SG 3.44Å; K91-C93 VanDerWaalsContact C-N 3.35Å; C93-V96 HydrophobicContact CB-CG2 4.14Å; C93-A135 WeakPolarHBondContact O-CB 3.48Å
94	D	98.6	Very high	95.8	Very high	62 Å²	62	46.5 Å²	46.5	33%	0.332	25%	0.251	S	S	.	.	S	Bend	trans	-92	-33	174.5	-57.8	-58.9	0	0	0	110.6	A25 K26 A135 M136 M266	A25-D94 HydrophobicContact CB-CB 4.42Å; K26-D94 WeakPolarHBondContact CB-OD2 3.45Å; K26-D94 PolarHBondContact N-OD2 3.46Å; K26-D94 PolarHBondContact O-N 3.43Å; D94-A135 WeakPolarHBondContact O-CA 3.27Å; D94-M136 PolarHBondContact O-N 3.13Å; D94-M266 HydrophobicContact CB-CE 3.79Å
95	V	98.9	Very high	94.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.6	177.7	-175.6	0	0	0	0	109.5	K26 V27 A28 V97 M136 V259 V263 M266	K26-V95 PolarHBondContact O-N 2.91Å; V27-V95 CarbonylContact C-O 3.51Å; V27-V95 WeakPolarHBondContact CA-O 3.31Å; V27-V95 HydrophobicContact CG1-CB 4.39Å; V27-V95 HydrophobicContact CG2-CB 4.31Å; A28-V95 PolarHBondContact N-O 3.1Å; V95-V97 HydrophobicContact CG1-CG2 4.31Å; V95-M136 CarbonylContact C-O 3.59Å; V95-M136 WeakPolarHBondContact CA-O 3.19Å; V95-M136 HydrophobicContact CG1-CB 4.38Å; V95-M136 HydrophobicContact CG2-CB 4.22Å; V95-M136 HydrophobicContact CG2-CG 4.43Å; V95-V259 HydrophobicContact CG1-CG1 4.31Å; V95-V259 HydrophobicContact CG1-CG2 4.42Å; V95-V263 HydrophobicContact CG2-CG2 4.06Å; V95-M266 HydrophobicContact CG2-CE 4.44Å; V95-M266 HydrophobicContact CG2-SD 4.01Å
96	V	98.9	Very high	93.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.2	172.2	-176	0	0	0	0	108.9	A28 L30 L90 C93 I98 A135 M136 I137 C138	A28-V96 HydrophobicContact CB-CG1 4.22Å; A28-V96 HydrophobicContact CB-CG2 4.22Å; A28-V96 WeakPolarHBondContact O-CA 3.35Å; L30-V96 HydrophobicContact CD1-CG1 3.73Å; L30-V96 HydrophobicContact CD2-CG1 4.37Å; L30-V96 HydrophobicContact CG-CG1 3.75Å; L90-V96 HydrophobicContact CD2-CG1 4.14Å; L90-V96 HydrophobicContact CD2-CG2 4.09Å; C93-V96 HydrophobicContact CB-CG2 4.14Å; V96-I98 HydrophobicContact CG1-CG1 4.15Å; V96-A135 HydrophobicContact CG2-CB 3.96Å; V96-M136 PolarHBondContact N-O 3.41Å; V96-I137 HydrophobicContact CB-CD1 4.01Å; V96-I137 HydrophobicContact CG2-CD1 4.13Å; V96-C138 PolarHBondContact O-N 2.8Å
97	V	98.9	Very high	92.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.4	177.2	-161.3	0	0	0	0	109.4	V27 A28 V29 L30 L40 V95 P99 C138 I140 V259	V27-V97 HydrophobicContact CG1-CG2 4.19Å; A28-V97 PolarHBondContact O-N 3.49Å; V29-V97 WeakPolarHBondContact CA-O 3.48Å; L30-V97 PolarHBondContact N-O 3.49Å; L40-V97 HydrophobicContact CD2-CB 4.32Å; L40-V97 HydrophobicContact CD2-CG1 3.81Å; V95-V97 HydrophobicContact CG1-CG2 4.31Å; V97-P99 WeakPolarHBondContact O-CD 3.29Å; V97-C138 CarbonylContact C-O 3.31Å; V97-C138 WeakPolarHBondContact CA-O 3.33Å; V97-C138 HydrophobicContact CB-CB 4.48Å; V97-C138 HydrophobicContact CG1-CB 4.14Å; V97-C138 HydrophobicContact CG2-CB 4.4Å; V97-I140 HydrophobicContact CG1-CD1 3.55Å; V97-I140 HydrophobicContact CG1-CG1 4.23Å; V97-V259 HydrophobicContact CG2-CG2 3.48Å; V97-V259 VanDerWaalsContact CG2-CG2 3.48Å
98	I	98.9	Very high	91.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	79.8	-174.4	-47	-176.7	0	0	0	109.9	L30 V96 A100 L124 T125 I137 C138 I140 A141	L30-I98 HydrophobicContact CB-CG1 4.45Å; L30-I98 HydrophobicContact CB-CG2 4.41Å; L30-I98 HydrophobicContact CD1-CD1 4.18Å; L30-I98 HydrophobicContact CD1-CG1 4.05Å; L30-I98 HydrophobicContact CG-CG1 4.38Å; V96-I98 HydrophobicContact CG1-CG1 4.15Å; I98-A100 VanDerWaalsContact C-N 3.27Å; I98-A100 HydrophobicContact CG2-CB 4.18Å; I98-L124 HydrophobicContact CG2-CD1 3.85Å; I98-T125 HydrophobicContact CD1-CG2 3.67Å; I98-I137 HydrophobicContact CD1-CG2 4.05Å; I98-C138 PolarHBondContact N-O 3.28Å; I98-I140 PolarHBondContact O-N 3.23Å; I98-A141 PolarHBondContact O-N 3.22Å
99	P	98.4	Very high	90.3	Very high	13 Å²	13	47.7 Å²	47.7	8%	0.084	29%	0.285	C	S	.	.			trans	-76.4	-10.1	165.3	32.8	-38.1	0	0	0	113.8	V29 L30 I36 L40 V97 G101 I140	V29-P99 HydrophobicContact CG1-CG 3.8Å; L30-P99 WeakPolarHBondContact O-CD 3.49Å; I36-P99 HydrophobicContact CB-CB 4.05Å; I36-P99 HydrophobicContact CG2-CB 3.82Å; L40-P99 HydrophobicContact CD2-CG 4.32Å; V97-P99 WeakPolarHBondContact O-CD 3.29Å; P99-G101 PolarHBondContact O-N 3.38Å; P99-I140 HydrophobicContact CB-CB 4.44Å; P99-I140 HydrophobicContact CB-CD1 4.47Å; P99-I140 HydrophobicContact CB-CG2 4.47Å
100	A	97.4	Very high	89.2	Confident	13 Å²	13	56.9 Å²	56.9	11%	0.107	32%	0.32	C	S	.	.			trans	-53.3	121.8	-179.8	0	0	0	0	0	112.5	L30 I98 I120 L124 A141	L30-A100 VanDerWaalsContact O-CB 3.24Å; L30-A100 WeakPolarHBondContact O-CB 3.45Å; L30-A100 PolarHBondContact O-N 3.29Å; I98-A100 VanDerWaalsContact C-N 3.27Å; I98-A100 HydrophobicContact CG2-CB 4.18Å; A100-I120 HydrophobicContact CB-CG2 3.88Å; A100-L124 HydrophobicContact CB-CD1 3.47Å; A100-L124 VanDerWaalsContact CB-CD1 3.47Å; A100-A141 WeakPolarHBondContact O-CB 3.2Å
101	G	93.2	Very high	88.4	Confident	34 Å²	34	61 Å²	61	35%	0.351	34%	0.342	S	S	.	.	S	Bend	trans	173	155.7	177.6	0	0	0	0	0	110	P99 N117	P99-G101 PolarHBondContact O-N 3.38Å; G101-N117 WeakPolarHBondContact CA-OD1 3.41Å
102	V	88.3	Confident	87.8	Confident	42 Å²	42	57 Å²	57	26%	0.255	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-78.2	130.7	172.6	178.5	0	0	0	0	107.8	M108 L113 T116 N117 I120	V102-M108 HydrophobicContact CG1-SD 4.31Å; V102-L113 WeakPolarHBondContact O-CD1 3.24Å; V102-T116 HydrophobicContact CB-CG2 4.13Å; V102-T116 HydrophobicContact CG2-CG2 3.6Å; V102-N117 PolarHBondContact N-OD1 3.29Å; V102-N117 PolarHBondContact O-ND2 3.03Å; V102-I120 HydrophobicContact CG2-CD1 4.3Å
103	P	82.8	Confident	87.3	Confident	61 Å²	61	56.3 Å²	56.3	40%	0.396	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-70.8	154.4	170.2	30.4	-34.4	0	0	0	109.7	K105	P103-K105 PolarHBondContact O-N 3.02Å; P103-K105 VanDerWaalsContact O-N 3.09Å
104	R	73	Confident	87	Confident	136 Å²	136	56.3 Å²	56.3	51%	0.513	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-58.6	118.9	174.1	-169.2	176.6	-177.4	-167.8	-2.7	109.8	L113	R104-L113 HydrophobicContact CB-CD2 4.09Å; R104-L113 HydrophobicContact CG-CD2 4.48Å
105	K	73	Confident	86.7	Confident	125 Å²	125	57.1 Å²	57.1	54%	0.543	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-98.9	152.5	173.5	-67.6	-178.2	179.8	178.9	0	110.6	P103 G107 M108	P103-K105 PolarHBondContact O-N 3.02Å; P103-K105 VanDerWaalsContact O-N 3.09Å; K105-G107 PolarHBondContact O-N 3.26Å; K105-M108 HydrophobicContact CB-CG 4.29Å; K105-M108 HydrophobicContact CB-SD 4.15Å; K105-M108 PolarHBondContact O-N 2.67Å; K105-M108 VanDerWaalsContact O-N 3.16Å
106	P	73.3	Confident	86.5	Confident	113 Å²	113	59.6 Å²	59.6	73%	0.734	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	133	168.2	-26.1	35.1	0	0	0	110.9
107	G	78.6	Confident	86.3	Confident	86 Å²	86	59.7 Å²	59.7	89%	0.887	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-18.7	-178.7	0	0	0	0	0	116.1	K105	K105-G107 PolarHBondContact O-N 3.26Å
108	M	76.4	Confident	86.2	Confident	46 Å²	46	59.7 Å²	59.7	23%	0.227	33%	0.334	C	S	.	.			trans	-75.1	132.4	175	-69.2	-174.1	94.9	0	0	111.4	V102 K105 D112	V102-M108 HydrophobicContact CG1-SD 4.31Å; K105-M108 HydrophobicContact CB-CG 4.29Å; K105-M108 HydrophobicContact CB-SD 4.15Å; K105-M108 PolarHBondContact O-N 2.67Å; K105-M108 VanDerWaalsContact O-N 3.16Å; M108-D112 HydrophobicContact CB-CB 4.41Å; M108-D112 HydrophobicContact CE-CB 3.94Å
109	T	77	Confident	86.1	Confident	72 Å²	72	63.3 Å²	63.3	44%	0.442	36%	0.356	S	S	.	.			trans	-71.5	165.4	168.8	71.6	0	0	0	0	110.5	D111 D112 L113	T109-D111 PolarHBondContact O-N 2.77Å; T109-D111 PolarHBondContact OG1-N 2.89Å; T109-D112 WeakPolarHBondContact CB-OD2 3.3Å; T109-D112 WeakPolarHBondContact CG2-OD2 3.36Å; T109-D112 PolarHBondContact N-OD2 3.17Å; T109-D112 PolarHBondContact O-N 3.48Å; T109-D112 PolarHBondContact OG1-N 3.12Å; T109-D112 PolarHBondContact OG1-OD2 3.45Å; T109-L113 PolarHBondContact O-N 3.02Å
110	R	75.7	Confident	86.1	Confident	193 Å²	193	65.1 Å²	65.1	73%	0.728	36%	0.364	S	S	*	.	H	α-helix	trans	-61.3	-30.7	172.6	-71.3	-178.8	175.3	180	-2.3	111.5	F114	R110-F114 PolarHBondContact O-N 2.85Å; R110-F114 VanDerWaalsContact O-N 3.15Å
111	D	80.5	Confident	86.2	Confident	86 Å²	86	64.5 Å²	64.5	46%	0.46	36%	0.359	S	S	.	.	H	α-helix	trans	-76.9	-38	-179.6	-70	-20.8	0	0	0	112.4	T109 L113 F114 N115 K329	T109-D111 PolarHBondContact O-N 2.77Å; T109-D111 PolarHBondContact OG1-N 2.89Å; D111-L113 VanDerWaalsContact C-N 3.31Å; D111-L113 PolarHBondContact O-N 3.36Å; D111-F114 WeakPolarHBondContact O-CB 3.48Å; D111-F114 PolarHBondContact O-N 3.4Å; D111-N115 PolarHBondContact O-N 3.35Å; D111-N115 PolarHBondContact O-ND2 3.01Å; D111-K329 IonicContact OD1-NZ 3.6Å; D111-K329 PolarHBondContact OD1-NZ 2.81Å
112	D	85.3	Confident	86.4	Confident	67 Å²	67	63.2 Å²	63.2	36%	0.358	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-44	175.1	-59.4	-41	0	0	0	111.3	M108 T109 F114 N115 T116	M108-D112 HydrophobicContact CB-CB 4.41Å; M108-D112 HydrophobicContact CE-CB 3.94Å; T109-D112 WeakPolarHBondContact CB-OD2 3.3Å; T109-D112 WeakPolarHBondContact CG2-OD2 3.36Å; T109-D112 PolarHBondContact N-OD2 3.17Å; T109-D112 PolarHBondContact O-N 3.48Å; T109-D112 PolarHBondContact OG1-N 3.12Å; T109-D112 PolarHBondContact OG1-OD2 3.45Å; D112-F114 VanDerWaalsContact C-N 3.35Å; D112-N115 PolarHBondContact O-N 3.44Å; D112-T116 WeakPolarHBondContact O-CB 3.21Å; D112-T116 PolarHBondContact O-N 3.2Å; D112-T116 PolarHBondContact O-OG1 2.96Å
113	L	87.1	Confident	86.9	Confident	26 Å²	26	65.5 Å²	65.5	14%	0.136	36%	0.359	C	S	.	.	H	α-helix	trans	-62.2	-44.2	176.4	-178.6	64.5	0	0	0	111.2	V102 R104 T109 D111 N117	V102-L113 WeakPolarHBondContact O-CD1 3.24Å; R104-L113 HydrophobicContact CB-CD2 4.09Å; R104-L113 HydrophobicContact CG-CD2 4.48Å; T109-L113 PolarHBondContact O-N 3.02Å; D111-L113 VanDerWaalsContact C-N 3.31Å; D111-L113 PolarHBondContact O-N 3.36Å; L113-N117 WeakPolarHBondContact O-CB 3.44Å; L113-N117 PolarHBondContact O-N 2.91Å
114	F	92.9	Very high	87.6	Confident	8 Å²	8	63.1 Å²	63.1	4%	0.035	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-54.3	175.3	169.1	-95.1	0	0	0	111.3	R110 D111 D112 T116 N117 A118 P143 S146 I150 K329 F333	R110-F114 PolarHBondContact O-N 2.85Å; R110-F114 VanDerWaalsContact O-N 3.15Å; D111-F114 WeakPolarHBondContact O-CB 3.48Å; D111-F114 PolarHBondContact O-N 3.4Å; D112-F114 VanDerWaalsContact C-N 3.35Å; F114-T116 VanDerWaalsContact C-N 3.3Å; F114-T116 PolarHBondContact O-N 2.62Å; F114-N117 PolarHBondContact O-N 2.97Å; F114-A118 HydrophobicContact CE1-CB 4.26Å; F114-A118 HydrophobicContact CE2-CB 4.21Å; F114-A118 HydrophobicContact CZ-CB 4.05Å; F114-A118 WeakPolarHBondContact O-CA 3.41Å; F114-A118 WeakPolarHBondContact O-CB 3.31Å; F114-A118 PolarHBondContact O-N 2.92Å; F114-P143 HydrophobicContact CD2-CG 3.91Å; F114-S146 VanDerWaalsContact CE2-CB 3.49Å; F114-I150 HydrophobicContact CE2-CD1 4.1Å; F114-I150 HydrophobicContact CZ-CD1 4.25Å; F114-K329 HydrophobicContact CD1-CD 4.22Å; F114-K329 VanDerWaalsContact CD1-CE 3.41Å; F114-K329 HydrophobicContact CD1-CG 4.44Å; F114-K329 HydrophobicContact CD2-CD 4.35Å; F114-K329 HydrophobicContact CE1-CD 4.17Å; F114-K329 HydrophobicContact CE1-CG 3.89Å; F114-K329 HydrophobicContact CE2-CD 4.33Å; F114-K329 HydrophobicContact CE2-CG 4.18Å; F114-K329 HydrophobicContact CG-CD 4.31Å; F114-K329 HydrophobicContact CZ-CD 4.23Å; F114-K329 HydrophobicContact CZ-CG 3.75Å; F114-F333 HydrophobicContact CE1-CB 4.39Å; F114-F333 HydrophobicContact CE1-CD2 4.32Å; F114-F333 HydrophobicContact CZ-CB 4.01Å; F114-F333 HydrophobicContact CZ-CG 4.38Å
115	N	92.2	Very high	88.8	Confident	79 Å²	79	56.7 Å²	56.7	42%	0.422	32%	0.319	S	S	.	.	H	α-helix	trans	-60.1	-41.1	-175.5	-72.1	-31.3	0	0	0	112.2	D111 D112 T119	D111-N115 PolarHBondContact O-N 3.35Å; D111-N115 PolarHBondContact O-ND2 3.01Å; D112-N115 PolarHBondContact O-N 3.44Å; N115-T119 PolarHBondContact O-N 2.83Å; N115-T119 PolarHBondContact O-OG1 3.41Å
116	T	94	Very high	90.1	Very high	52 Å²	52	51.7 Å²	51.7	32%	0.319	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-53.6	177.7	-55.2	0	0	0	0	110.8	V102 D112 F114 T119 I120	V102-T116 HydrophobicContact CB-CG2 4.13Å; V102-T116 HydrophobicContact CG2-CG2 3.6Å; D112-T116 WeakPolarHBondContact O-CB 3.21Å; D112-T116 PolarHBondContact O-N 3.2Å; D112-T116 PolarHBondContact O-OG1 2.96Å; F114-T116 VanDerWaalsContact C-N 3.3Å; F114-T116 PolarHBondContact O-N 2.62Å; T116-T119 PolarHBondContact O-N 2.8Å; T116-I120 HydrophobicContact CG2-CD1 4.2Å; T116-I120 WeakPolarHBondContact O-CG1 3.49Å; T116-I120 PolarHBondContact O-N 3.45Å
117	N	96.1	Very high	91.3	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.011	27%	0.27	C	S	.	.	H	α-helix	trans	-73.9	-29.3	-175.9	-69.3	-8.5	0	0	0	112.6	G101 V102 L113 F114 T119 I120 V121 N142	G101-N117 WeakPolarHBondContact CA-OD1 3.41Å; V102-N117 PolarHBondContact N-OD1 3.29Å; V102-N117 PolarHBondContact O-ND2 3.03Å; L113-N117 WeakPolarHBondContact O-CB 3.44Å; L113-N117 PolarHBondContact O-N 2.91Å; F114-N117 PolarHBondContact O-N 2.97Å; N117-T119 VanDerWaalsContact C-N 3.32Å; N117-T119 PolarHBondContact O-N 3.37Å; N117-I120 PolarHBondContact O-N 2.97Å; N117-V121 WeakPolarHBondContact O-CB 3.31Å; N117-V121 VanDerWaalsContact O-CG2 3.28Å; N117-V121 WeakPolarHBondContact O-CG2 3.43Å; N117-V121 PolarHBondContact O-N 3.08Å; N117-N142 WeakPolarHBondContact CB-O 3.39Å; N117-N142 PolarHBondContact ND2-O 2.88Å
118	A	96.9	Very high	92.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-44.2	173.2	0	0	0	0	0	111.2	F114 A122 I150 F333	F114-A118 HydrophobicContact CE1-CB 4.26Å; F114-A118 HydrophobicContact CE2-CB 4.21Å; F114-A118 HydrophobicContact CZ-CB 4.05Å; F114-A118 WeakPolarHBondContact O-CA 3.41Å; F114-A118 WeakPolarHBondContact O-CB 3.31Å; F114-A118 PolarHBondContact O-N 2.92Å; A118-A122 VanDerWaalsContact O-CB 3.27Å; A118-A122 WeakPolarHBondContact O-CB 3.4Å; A118-A122 PolarHBondContact O-N 3.46Å; A118-I150 HydrophobicContact CB-CD1 3.49Å; A118-I150 VanDerWaalsContact CB-CD1 3.49Å; A118-F333 HydrophobicContact CB-CD1 3.84Å; A118-F333 HydrophobicContact CB-CD2 4.02Å; A118-F333 HydrophobicContact CB-CE1 3.64Å; A118-F333 HydrophobicContact CB-CE2 3.84Å; A118-F333 HydrophobicContact CB-CG 4.02Å; A118-F333 HydrophobicContact CB-CZ 3.65Å
119	T	96.7	Very high	93.3	Very high	75 Å²	75	40.7 Å²	40.7	46%	0.46	22%	0.219	S	C	.	.	H	α-helix	trans	-63.4	-49.1	175.9	-53.6	0	0	0	0	111.2	N115 T116 N117 V121 A122 T123	N115-T119 PolarHBondContact O-N 2.83Å; N115-T119 PolarHBondContact O-OG1 3.41Å; T116-T119 PolarHBondContact O-N 2.8Å; N117-T119 VanDerWaalsContact C-N 3.32Å; N117-T119 PolarHBondContact O-N 3.37Å; T119-V121 PolarHBondContact O-N 2.94Å; T119-A122 PolarHBondContact O-N 3.21Å; T119-T123 PolarHBondContact O-N 2.81Å; T119-T123 PolarHBondContact O-OG1 3.49Å; T119-T123 VanDerWaalsContact O-OG1 3.14Å
120	I	97.5	Very high	94.3	Very high	51 Å²	51	42.9 Å²	42.9	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-56.8	-50.5	178.1	-66.6	167.5	0	0	0	110.8	A100 V102 T116 N117 A122 T123 L124	A100-I120 HydrophobicContact CB-CG2 3.88Å; V102-I120 HydrophobicContact CG2-CD1 4.3Å; T116-I120 HydrophobicContact CG2-CD1 4.2Å; T116-I120 WeakPolarHBondContact O-CG1 3.49Å; T116-I120 PolarHBondContact O-N 3.45Å; N117-I120 PolarHBondContact O-N 2.97Å; I120-A122 PolarHBondContact O-N 2.91Å; I120-T123 PolarHBondContact O-N 3.25Å; I120-L124 HydrophobicContact CG2-CD1 3.82Å; I120-L124 HydrophobicContact CG2-CG 4.45Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.48Å; I120-L124 PolarHBondContact O-N 2.95Å
121	V	98.5	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-42.5	-178.9	170.7	0	0	0	0	111.2	N117 T119 T123 L124 T125 A141 T147 I150	N117-V121 WeakPolarHBondContact O-CB 3.31Å; N117-V121 VanDerWaalsContact O-CG2 3.28Å; N117-V121 WeakPolarHBondContact O-CG2 3.43Å; N117-V121 PolarHBondContact O-N 3.08Å; T119-V121 PolarHBondContact O-N 2.94Å; V121-T123 PolarHBondContact O-N 3.24Å; V121-L124 PolarHBondContact O-N 3.08Å; V121-T125 HydrophobicContact CG1-CG2 3.95Å; V121-T125 VanDerWaalsContact O-CB 3.29Å; V121-T125 WeakPolarHBondContact O-CB 3.42Å; V121-T125 WeakPolarHBondContact O-CG2 3.48Å; V121-T125 PolarHBondContact O-N 2.93Å; V121-T125 PolarHBondContact O-OG1 2.57Å; V121-A141 HydrophobicContact CG2-CB 3.43Å; V121-A141 VanDerWaalsContact CG2-CB 3.43Å; V121-T147 HydrophobicContact CB-CG2 4.45Å; V121-T147 HydrophobicContact CG2-CG2 3.9Å; V121-I150 HydrophobicContact CG1-CG2 4.15Å
122	A	98.4	Very high	96.3	Very high	8 Å²	8	33.5 Å²	33.5	7%	0.066	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-43.7	179.3	0	0	0	0	0	111.8	A118 T119 I120 T125 A126 I150 V154 F333 L337	A118-A122 VanDerWaalsContact O-CB 3.27Å; A118-A122 WeakPolarHBondContact O-CB 3.4Å; A118-A122 PolarHBondContact O-N 3.46Å; T119-A122 PolarHBondContact O-N 3.21Å; I120-A122 PolarHBondContact O-N 2.91Å; A122-T125 PolarHBondContact O-OG1 2.79Å; A122-A126 VanDerWaalsContact O-CB 3.28Å; A122-A126 WeakPolarHBondContact O-CB 3.38Å; A122-A126 PolarHBondContact O-N 3.45Å; A122-I150 HydrophobicContact CB-CG2 3.93Å; A122-V154 HydrophobicContact CB-CG2 4.12Å; A122-F333 HydrophobicContact CB-CE1 4.15Å; A122-L337 HydrophobicContact CB-CD1 3.71Å
123	T	98.1	Very high	96.9	Very high	89 Å²	89	32.2 Å²	32.2	55%	0.546	18%	0.181	S	C	.	.	H	α-helix	trans	-64.1	-48.3	177.5	-58.5	0	0	0	0	112.1	T119 I120 V121 A126 A127	T119-T123 PolarHBondContact O-N 2.81Å; T119-T123 PolarHBondContact O-OG1 3.49Å; T119-T123 VanDerWaalsContact O-OG1 3.14Å; I120-T123 PolarHBondContact O-N 3.25Å; V121-T123 PolarHBondContact O-N 3.24Å; T123-A126 PolarHBondContact O-N 2.83Å; T123-A127 PolarHBondContact O-N 3.47Å
124	L	98.7	Very high	97.5	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-40.3	-178	-65.9	177.5	0	0	0	112	L30 Y56 L86 I98 A100 I120 V121 A127 C128	L30-L124 HydrophobicContact CB-CD1 4.03Å; L30-L124 HydrophobicContact CD1-CB 3.96Å; L30-L124 HydrophobicContact CD1-CD1 4.44Å; L30-L124 HydrophobicContact CD1-CD2 4.26Å; L30-L124 HydrophobicContact CD1-CG 4.44Å; Y56-L124 HydrophobicContact CD1-CD2 4.21Å; Y56-L124 HydrophobicContact CE1-CD2 3.69Å; L86-L124 HydrophobicContact CD1-CD2 4.45Å; L86-L124 HydrophobicContact CD2-CD2 3.88Å; I98-L124 HydrophobicContact CG2-CD1 3.85Å; A100-L124 HydrophobicContact CB-CD1 3.47Å; A100-L124 VanDerWaalsContact CB-CD1 3.47Å; I120-L124 HydrophobicContact CG2-CD1 3.82Å; I120-L124 HydrophobicContact CG2-CG 4.45Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.48Å; I120-L124 PolarHBondContact O-N 2.95Å; V121-L124 PolarHBondContact O-N 3.08Å; L124-A127 PolarHBondContact O-N 3.43Å; L124-C128 PolarHBondContact O-N 3.49Å; L124-C128 PolarHBondContact O-SG 3.07Å
125	T	98.8	Very high	97.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-73.6	-28.8	179.9	57.9	0	0	0	0	112.3	I98 V121 A122 C128 A129 T151 F155	I98-T125 HydrophobicContact CD1-CG2 3.67Å; V121-T125 HydrophobicContact CG1-CG2 3.95Å; V121-T125 VanDerWaalsContact O-CB 3.29Å; V121-T125 WeakPolarHBondContact O-CB 3.42Å; V121-T125 WeakPolarHBondContact O-CG2 3.48Å; V121-T125 PolarHBondContact O-N 2.93Å; V121-T125 PolarHBondContact O-OG1 2.57Å; A122-T125 PolarHBondContact O-OG1 2.79Å; T125-C128 WeakPolarHBondContact O-CB 3.22Å; T125-C128 PolarHBondContact O-N 3.37Å; T125-A129 WeakPolarHBondContact O-CB 3.48Å; T125-A129 PolarHBondContact O-N 2.89Å; T125-T151 HydrophobicContact CG2-CG2 3.62Å; T125-F155 VanDerWaalsContact O-CE2 3.28Å; T125-F155 WeakPolarHBondContact O-CE2 3.46Å
126	A	98.7	Very high	98.1	Very high	21 Å²	21	33 Å²	33	17%	0.174	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-44.9	168.9	0	0	0	0	0	111.2	A122 T123 C128 A129 Q130 V154	A122-A126 VanDerWaalsContact O-CB 3.28Å; A122-A126 WeakPolarHBondContact O-CB 3.38Å; A122-A126 PolarHBondContact O-N 3.45Å; T123-A126 PolarHBondContact O-N 2.83Å; A126-C128 VanDerWaalsContact C-N 3.33Å; A126-C128 PolarHBondContact O-N 2.86Å; A126-A129 WeakPolarHBondContact O-CB 3.34Å; A126-A129 PolarHBondContact O-N 3.21Å; A126-Q130 WeakPolarHBondContact O-CG 3.42Å; A126-Q130 PolarHBondContact O-N 3.15Å; A126-V154 HydrophobicContact CB-CG1 3.76Å
127	A	98.8	Very high	98.3	Very high	10 Å²	10	30.6 Å²	30.6	8%	0.083	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-40.1	174.6	0	0	0	0	0	112	L86 L90 T123 L124 Q130 H131	L86-A127 HydrophobicContact CD2-CB 3.45Å; L86-A127 VanDerWaalsContact CD2-CB 3.45Å; L86-A127 HydrophobicContact CG-CB 3.9Å; L90-A127 HydrophobicContact CD1-CB 3.68Å; T123-A127 PolarHBondContact O-N 3.47Å; L124-A127 PolarHBondContact O-N 3.43Å; A127-Q130 PolarHBondContact O-N 3.06Å; A127-H131 WeakPolarHBondContact O-CB 3.17Å; A127-H131 PolarHBondContact O-CD2 3.3Å; A127-H131 PolarHBondContact O-N 2.87Å
128	C	98.9	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-46.2	173	-64.4	0	0	0	0	111.9	L124 T125 A126 Q130 H131 C132 I137 F155	L124-C128 PolarHBondContact O-N 3.49Å; L124-C128 PolarHBondContact O-SG 3.07Å; T125-C128 WeakPolarHBondContact O-CB 3.22Å; T125-C128 PolarHBondContact O-N 3.37Å; A126-C128 VanDerWaalsContact C-N 3.33Å; A126-C128 PolarHBondContact O-N 2.86Å; C128-Q130 PolarHBondContact O-N 2.98Å; C128-H131 PolarHBondContact O-N 2.97Å; C128-C132 CarbonylContact O-C 3.59Å; C128-C132 WeakPolarHBondContact O-CA 3.47Å; C128-C132 PolarHBondContact O-N 3.46Å; C128-I137 HydrophobicContact CB-CD1 3.99Å; C128-F155 HydrophobicContact CB-CE2 4.21Å; C128-F155 HydrophobicContact CB-CZ 3.93Å
129	A	98.8	Very high	98.5	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.033	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-33.1	177.9	0	0	0	0	0	112.2	T125 A126 P133 F155 H158 V160	T125-A129 WeakPolarHBondContact O-CB 3.48Å; T125-A129 PolarHBondContact O-N 2.89Å; A126-A129 WeakPolarHBondContact O-CB 3.34Å; A126-A129 PolarHBondContact O-N 3.21Å; A129-P133 WeakPolarHBondContact O-CB 3.34Å; A129-F155 HydrophobicContact CB-CD1 4.28Å; A129-F155 HydrophobicContact CB-CD2 4.09Å; A129-F155 HydrophobicContact CB-CE1 4.26Å; A129-F155 HydrophobicContact CB-CE2 4.07Å; A129-F155 HydrophobicContact CB-CG 4.2Å; A129-F155 HydrophobicContact CB-CZ 4.14Å; A129-H158 HydrophobicContact CB-CB 3.83Å; A129-V160 HydrophobicContact CB-CG2 3.71Å
130	Q	98.7	Very high	98.6	Very high	118 Å²	118	27.1 Å²	27.1	55%	0.551	15%	0.146	S	C	*	.	H	α-helix	trans	-80.9	-36.4	178.5	-69.4	173.4	-30.7	0	0	113.9	A126 A127 C128	A126-Q130 WeakPolarHBondContact O-CG 3.42Å; A126-Q130 PolarHBondContact O-N 3.15Å; A127-Q130 PolarHBondContact O-N 3.06Å; C128-Q130 PolarHBondContact O-N 2.98Å
131	H	98.7	Very high	98.6	Very high	74 Å²	74	24.9 Å²	24.9	34%	0.343	14%	0.135	S	C	.	.	H	α-helix	trans	-114.2	-18.8	-166.3	-60.6	-55.9	0	0	0	115.2	P87 L90 A127 C128	P87-H131 WeakPolarHBondContact CG-NE2 3.22Å; L90-H131 HydrophobicContact CB-CB 3.86Å; L90-H131 HydrophobicContact CD1-CB 4.28Å; A127-H131 WeakPolarHBondContact O-CB 3.17Å; A127-H131 PolarHBondContact O-CD2 3.3Å; A127-H131 PolarHBondContact O-N 2.87Å; C128-H131 PolarHBondContact O-N 2.97Å
132	C	98.6	Very high	98.4	Very high	8 Å²	8	27.9 Å²	27.9	5%	0.054	15%	0.151	C	C	.	.			trans	-150.9	56.6	175.2	61.4	0	0	0	0	111.7	L90 C128 E134 A135	L90-C132 WeakPolarHBondContact O-CB 3.3Å; C128-C132 CarbonylContact O-C 3.59Å; C128-C132 WeakPolarHBondContact O-CA 3.47Å; C128-C132 PolarHBondContact O-N 3.46Å; C132-E134 PolarHBondContact O-N 3.38Å; C132-A135 HydrophobicContact CB-CB 4.08Å; C132-A135 WeakPolarHBondContact O-CB 3.36Å; C132-A135 PolarHBondContact O-N 2.9Å
133	P	98.7	Very high	98.3	Very high	39 Å²	39	29.2 Å²	29.2	25%	0.253	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.9	-174.8	22.3	-33.8	0	0	0	114	A129 V160	A129-P133 WeakPolarHBondContact O-CB 3.34Å; P133-V160 HydrophobicContact CB-CB 3.76Å; P133-V160 HydrophobicContact CB-CG1 3.91Å; P133-V160 HydrophobicContact CB-CG2 3.99Å
134	E	98.5	Very high	98.2	Very high	125 Å²	125	25.1 Å²	25.1	58%	0.584	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.7	-179.3	-65.4	-57	143.5	0	0	114.6	C132 K165	C132-E134 PolarHBondContact O-N 3.38Å; E134-K165 WeakPolarHBondContact O-CD 3.42Å; E134-K165 PolarHBondContact O-NZ 3.18Å; E134-K165 IonicContact OE2-NZ 2.57Å; E134-K165 PolarHBondContact OE2-NZ 3.14Å
135	A	98.8	Very high	98.2	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.017	13%	0.131	C	C	.	.	S	Bend	trans	-71.3	153.5	179.9	0	0	0	0	0	112.1	C93 D94 V96 C132 I137	C93-A135 WeakPolarHBondContact O-CB 3.48Å; D94-A135 WeakPolarHBondContact O-CA 3.27Å; V96-A135 HydrophobicContact CG2-CB 3.96Å; C132-A135 HydrophobicContact CB-CB 4.08Å; C132-A135 WeakPolarHBondContact O-CB 3.36Å; C132-A135 PolarHBondContact O-N 2.9Å; A135-I137 HydrophobicContact CB-CD1 4.11Å; A135-I137 PolarHBondContact O-N 2.78Å
136	M	98.8	Very high	98.2	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.02	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	117.2	166.7	-54	-58.2	174	0	0	109.3	D94 V95 V96 K165 F167 L262 M266 G298	D94-M136 PolarHBondContact O-N 3.13Å; V95-M136 CarbonylContact C-O 3.59Å; V95-M136 WeakPolarHBondContact CA-O 3.19Å; V95-M136 HydrophobicContact CG1-CB 4.38Å; V95-M136 HydrophobicContact CG2-CB 4.22Å; V95-M136 HydrophobicContact CG2-CG 4.43Å; V96-M136 PolarHBondContact N-O 3.41Å; M136-K165 CarbonylContact C-O 3.55Å; M136-K165 WeakPolarHBondContact CA-O 3.42Å; M136-K165 HydrophobicContact CE-CD 4.47Å; M136-K165 HydrophobicContact CE-CG 4.32Å; M136-K165 HydrophobicContact SD-CB 3.88Å; M136-K165 HydrophobicContact SD-CD 4.11Å; M136-K165 HydrophobicContact SD-CG 3.66Å; M136-F167 HydrophobicContact CB-CE2 4.21Å; M136-F167 HydrophobicContact SD-CE2 4Å; M136-L262 HydrophobicContact CB-CD1 4.45Å; M136-M266 HydrophobicContact CE-CG 4.19Å; M136-M266 HydrophobicContact CE-SD 4.1Å; M136-M266 HydrophobicContact CG-SD 3.8Å; M136-G298 VanDerWaalsContact CE-CA 3.5Å
137	I	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113	-177.4	-49.3	-56.6	0	0	0	109.6	V96 I98 C128 A135 V139 T151 F155 K165 I166 F167	V96-I137 HydrophobicContact CB-CD1 4.01Å; V96-I137 HydrophobicContact CG2-CD1 4.13Å; I98-I137 HydrophobicContact CD1-CG2 4.05Å; C128-I137 HydrophobicContact CB-CD1 3.99Å; A135-I137 HydrophobicContact CB-CD1 4.11Å; A135-I137 PolarHBondContact O-N 2.78Å; I137-V139 HydrophobicContact CG2-CG2 4.13Å; I137-T151 HydrophobicContact CG2-CG2 4.16Å; I137-F155 HydrophobicContact CD1-CZ 3.99Å; I137-F155 HydrophobicContact CG1-CE1 4.24Å; I137-F155 HydrophobicContact CG1-CE2 4.3Å; I137-F155 HydrophobicContact CG1-CZ 3.64Å; I137-K165 PolarHBondContact N-O 3.19Å; I137-I166 HydrophobicContact CB-CG1 4.19Å; I137-I166 HydrophobicContact CG1-CG1 4.34Å; I137-F167 PolarHBondContact O-N 3.31Å
138	C	98.9	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	101.7	-178.4	-57.1	0	0	0	0	110.1	V96 V97 I98 F167 V169 L262	V96-C138 PolarHBondContact O-N 2.8Å; V97-C138 CarbonylContact C-O 3.31Å; V97-C138 WeakPolarHBondContact CA-O 3.33Å; V97-C138 HydrophobicContact CB-CB 4.48Å; V97-C138 HydrophobicContact CG1-CB 4.14Å; V97-C138 HydrophobicContact CG2-CB 4.4Å; I98-C138 PolarHBondContact N-O 3.28Å; C138-F167 CarbonylContact C-O 3.6Å; C138-F167 WeakPolarHBondContact CA-O 3.31Å; C138-V169 HydrophobicContact CB-CG2 3.86Å; C138-L262 WeakPolarHBondContact SG-CD1 3.5Å
139	V	98.8	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.8	-177.6	-172.5	0	0	0	0	110.1	I137 A141 I148 T151 F167 V169	I137-V139 HydrophobicContact CG2-CG2 4.13Å; V139-A141 HydrophobicContact CG1-CB 4.11Å; V139-I148 HydrophobicContact CB-CD1 3.84Å; V139-I148 HydrophobicContact CB-CG1 4.41Å; V139-I148 HydrophobicContact CG2-CD1 3.76Å; V139-T151 HydrophobicContact CG2-CG2 4.35Å; V139-F167 PolarHBondContact N-O 3.06Å; V139-V169 PolarHBondContact O-N 2.94Å
140	I	98.4	Very high	98.2	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.026	12%	0.119	C	C	.	.			trans	-102.1	-25.3	172.7	-64.5	171.6	0	0	0	110.4	I36 L40 V97 I98 P99 N142 V169 M251	I36-I140 HydrophobicContact CD1-CG2 4.21Å; L40-I140 HydrophobicContact CD2-CD1 4.23Å; V97-I140 HydrophobicContact CG1-CD1 3.55Å; V97-I140 HydrophobicContact CG1-CG1 4.23Å; I98-I140 PolarHBondContact O-N 3.23Å; P99-I140 HydrophobicContact CB-CB 4.44Å; P99-I140 HydrophobicContact CB-CD1 4.47Å; P99-I140 HydrophobicContact CB-CG2 4.47Å; I140-N142 PolarHBondContact O-N 3.14Å; I140-V169 HydrophobicContact CG1-CB 3.79Å; I140-V169 HydrophobicContact CG1-CG1 4.22Å; I140-V169 HydrophobicContact CG1-CG2 3.78Å; I140-M251 HydrophobicContact CD1-CE 4.2Å; I140-M251 HydrophobicContact CG1-CE 4.13Å; I140-M251 HydrophobicContact CG2-CE 3.94Å; I140-M251 HydrophobicContact CG2-CG 3.91Å; I140-M251 HydrophobicContact CG2-SD 4.12Å
141	A	96.8	Very high	98.2	Very high	3 Å²	3	17.6 Å²	17.6	3%	0.025	9%	0.093	C	C	.	.	S	Bend	trans	-50.3	120.9	-179.4	0	0	0	0	0	112.3	I98 A100 V121 V139 T147	I98-A141 PolarHBondContact O-N 3.22Å; A100-A141 WeakPolarHBondContact O-CB 3.2Å; V121-A141 HydrophobicContact CG2-CB 3.43Å; V121-A141 VanDerWaalsContact CG2-CB 3.43Å; V139-A141 HydrophobicContact CG1-CB 4.11Å; A141-T147 WeakPolarHBondContact O-CG2 3.47Å; A141-T147 PolarHBondContact O-OG1 2.93Å
142	N	94.4	Very high	98.2	Very high	64 Å²	64	14 Å²	14	34%	0.342	8%	0.077	S	C	.	.	S	Bend	trans	-80.5	149.6	-180	-89.2	-62.5	0	0	0	112.1	N117 I140	N117-N142 WeakPolarHBondContact CB-O 3.39Å; N117-N142 PolarHBondContact ND2-O 2.88Å; I140-N142 PolarHBondContact O-N 3.14Å
143	P	95.7	Very high	98.2	Very high	36 Å²	36	15.5 Å²	15.5	23%	0.234	8%	0.083	C	C	.	.	P	Polyproline II helix	cis	-83.5	120.5	-2.7	31	-32	0	0	0	112.3	F114 N145 S146 T147	F114-P143 HydrophobicContact CD2-CG 3.91Å; P143-N145 PolarHBondContact O-N 3.16Å; P143-N145 VanDerWaalsContact O-N 3.14Å; P143-S146 PolarHBondContact O-N 3.37Å; P143-T147 WeakPolarHBondContact O-CG2 3.41Å; P143-T147 PolarHBondContact O-N 3.08Å; P143-T147 PolarHBondContact O-OG1 3.22Å
144	V	97.7	Very high	98.2	Very high	2 Å²	2	14 Å²	14	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-54.9	-37.3	-175.5	175.7	0	0	0	0	112.7	S146 T147 I148 H200 F277	V144-S146 PolarHBondContact O-N 2.79Å; V144-T147 VanDerWaalsContact CA-OG1 3.3Å; V144-T147 WeakPolarHBondContact CA-OG1 3.39Å; V144-T147 PolarHBondContact O-N 2.79Å; V144-I148 HydrophobicContact CG1-CG1 4.14Å; V144-I148 PolarHBondContact O-N 2.99Å; V144-H200 HydrophobicContact CB-CB 4.01Å; V144-F277 HydrophobicContact CG1-CB 4.22Å; V144-F277 HydrophobicContact CG1-CD1 4.3Å
145	N	98.2	Very high	98.2	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.011	5%	0.046	C	C	.	.	H	α-helix	trans	-58.3	-20.6	178	-65.5	-1.3	0	0	0	113.8	P143 P149 G199 H200 T204 L323	P143-N145 PolarHBondContact O-N 3.16Å; P143-N145 VanDerWaalsContact O-N 3.14Å; N145-P149 WeakPolarHBondContact O-CG 3.14Å; N145-G199 WeakPolarHBondContact OD1-CA 3.11Å; N145-H200 PolarHBondContact OD1-N 3.19Å; N145-T204 PolarHBondContact ND2-OG1 3.07Å; N145-T204 VanDerWaalsContact ND2-OG1 3.16Å; N145-L323 HydrophobicContact CB-CD2 4.5Å
146	S	98.3	Very high	98.2	Very high	4 Å²	4	12.1 Å²	12.1	3%	0.028	6%	0.062	C	C	.	.	H	α-helix	trans	-116.6	-29.7	177.3	-52.2	0	0	0	0	113.6	F114 P143 V144 I148 P149 I150 S326	F114-S146 VanDerWaalsContact CE2-CB 3.49Å; P143-S146 PolarHBondContact O-N 3.37Å; V144-S146 PolarHBondContact O-N 2.79Å; S146-I148 VanDerWaalsContact C-N 3.32Å; S146-I148 PolarHBondContact O-N 3.02Å; S146-P149 WeakPolarHBondContact O-CD 3.5Å; S146-I150 VanDerWaalsContact O-CG1 3.3Å; S146-I150 WeakPolarHBondContact O-CG1 3.38Å; S146-I150 PolarHBondContact O-N 2.79Å; S146-I150 VanDerWaalsContact O-N 3.1Å; S146-S326 WeakPolarHBondContact CB-O 3.4Å; S146-S326 PolarHBondContact OG-O 3.33Å
147	T	98.4	Very high	98.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-71.6	-26.4	-179.7	56.4	0	0	0	0	112.8	V121 A141 P143 V144 T151	V121-T147 HydrophobicContact CB-CG2 4.45Å; V121-T147 HydrophobicContact CG2-CG2 3.9Å; A141-T147 WeakPolarHBondContact O-CG2 3.47Å; A141-T147 PolarHBondContact O-OG1 2.93Å; P143-T147 WeakPolarHBondContact O-CG2 3.41Å; P143-T147 PolarHBondContact O-N 3.08Å; P143-T147 PolarHBondContact O-OG1 3.22Å; V144-T147 VanDerWaalsContact CA-OG1 3.3Å; V144-T147 WeakPolarHBondContact CA-OG1 3.39Å; V144-T147 PolarHBondContact O-N 2.79Å; T147-T151 WeakPolarHBondContact O-CB 3.48Å; T147-T151 PolarHBondContact O-N 3.29Å; T147-T151 PolarHBondContact O-OG1 3.44Å
148	I	98.7	Very high	98.1	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-69.4	-49.6	171.1	-75.9	-70.7	0	0	0	113	V139 V144 S146 I150 T151 A152 I166 F277 Y287	V139-I148 HydrophobicContact CB-CD1 3.84Å; V139-I148 HydrophobicContact CB-CG1 4.41Å; V139-I148 HydrophobicContact CG2-CD1 3.76Å; V144-I148 HydrophobicContact CG1-CG1 4.14Å; V144-I148 PolarHBondContact O-N 2.99Å; S146-I148 VanDerWaalsContact C-N 3.32Å; S146-I148 PolarHBondContact O-N 3.02Å; I148-I150 VanDerWaalsContact C-N 3.25Å; I148-I150 PolarHBondContact O-N 3.24Å; I148-T151 WeakPolarHBondContact O-CB 3.34Å; I148-T151 PolarHBondContact O-N 3.49Å; I148-T151 VanDerWaalsContact O-N 3.08Å; I148-A152 PolarHBondContact O-N 2.92Å; I148-I166 HydrophobicContact CD1-CG2 3.77Å; I148-F277 HydrophobicContact CB-CD1 3.84Å; I148-F277 HydrophobicContact CB-CE1 4.1Å; I148-F277 HydrophobicContact CG1-CD1 4.07Å; I148-F277 HydrophobicContact CG2-CD1 3.91Å; I148-F277 HydrophobicContact CG2-CE1 4.13Å; I148-Y287 HydrophobicContact CG2-CD1 3.64Å; I148-Y287 HydrophobicContact CG2-CE1 4Å; I148-Y287 HydrophobicContact CG2-CG 4.43Å
149	P	98.7	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-53.3	-42	169.5	-25.7	27.8	0	0	0	113	N145 S146 T151 A152 E153 Y287 I327 E331	N145-P149 WeakPolarHBondContact O-CG 3.14Å; S146-P149 WeakPolarHBondContact O-CD 3.5Å; P149-T151 PolarHBondContact O-N 2.68Å; P149-A152 PolarHBondContact O-N 2.9Å; P149-E153 WeakPolarHBondContact O-CG 3.26Å; P149-E153 PolarHBondContact O-N 2.86Å; P149-Y287 HydrophobicContact CB-CD2 4.36Å; P149-Y287 HydrophobicContact CB-CE2 3.96Å; P149-Y287 HydrophobicContact CG-CD2 3.86Å; P149-Y287 HydrophobicContact CG-CE2 3.97Å; P149-Y287 HydrophobicContact CG-CG 4.31Å; P149-I327 HydrophobicContact CB-CG2 4.49Å; P149-I327 HydrophobicContact CG-CB 4.25Å; P149-I327 HydrophobicContact CG-CG1 4.13Å; P149-I327 HydrophobicContact CG-CG2 4.13Å; P149-E331 HydrophobicContact CB-CG 3.96Å
150	I	98.8	Very high	98.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.4	-49.7	173.9	-70.4	166.2	0	0	0	110.9	F114 A118 V121 A122 S146 I148 A152 E153 V154 G330 F333 V334	F114-I150 HydrophobicContact CE2-CD1 4.1Å; F114-I150 HydrophobicContact CZ-CD1 4.25Å; A118-I150 HydrophobicContact CB-CD1 3.49Å; A118-I150 VanDerWaalsContact CB-CD1 3.49Å; V121-I150 HydrophobicContact CG1-CG2 4.15Å; A122-I150 HydrophobicContact CB-CG2 3.93Å; S146-I150 VanDerWaalsContact O-CG1 3.3Å; S146-I150 WeakPolarHBondContact O-CG1 3.38Å; S146-I150 PolarHBondContact O-N 2.79Å; S146-I150 VanDerWaalsContact O-N 3.1Å; I148-I150 VanDerWaalsContact C-N 3.25Å; I148-I150 PolarHBondContact O-N 3.24Å; I150-A152 VanDerWaalsContact C-N 3.33Å; I150-A152 PolarHBondContact O-N 3.31Å; I150-E153 PolarHBondContact O-N 3.34Å; I150-V154 HydrophobicContact CG2-CG2 4.35Å; I150-V154 WeakPolarHBondContact O-CB 3.15Å; I150-V154 VanDerWaalsContact O-CG2 3.29Å; I150-V154 WeakPolarHBondContact O-CG2 3.47Å; I150-V154 PolarHBondContact O-N 3.03Å; I150-G330 VanDerWaalsContact CG1-O 3.25Å; I150-G330 WeakPolarHBondContact CG1-O 3.44Å; I150-F333 HydrophobicContact CD1-CD1 3.93Å; I150-F333 HydrophobicContact CD1-CG 4.43Å; I150-F333 HydrophobicContact CG1-CD1 4.11Å; I150-V334 HydrophobicContact CB-CG2 4.01Å; I150-V334 HydrophobicContact CG1-CG2 4.02Å; I150-V334 HydrophobicContact CG2-CG2 3.77Å
151	T	98.8	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.6	-46	-179.9	-56.8	0	0	0	0	111.1	T125 I137 V139 T147 I148 P149 V154 F155 I166	T125-T151 HydrophobicContact CG2-CG2 3.62Å; I137-T151 HydrophobicContact CG2-CG2 4.16Å; V139-T151 HydrophobicContact CG2-CG2 4.35Å; T147-T151 WeakPolarHBondContact O-CB 3.48Å; T147-T151 PolarHBondContact O-N 3.29Å; T147-T151 PolarHBondContact O-OG1 3.44Å; I148-T151 WeakPolarHBondContact O-CB 3.34Å; I148-T151 PolarHBondContact O-N 3.49Å; I148-T151 VanDerWaalsContact O-N 3.08Å; P149-T151 PolarHBondContact O-N 2.68Å; T151-V154 PolarHBondContact O-N 3.41Å; T151-F155 HydrophobicContact CG2-CD2 4.11Å; T151-F155 HydrophobicContact CG2-CE2 4.17Å; T151-F155 VanDerWaalsContact O-CD2 3.31Å; T151-F155 WeakPolarHBondContact O-CD2 3.5Å; T151-F155 PolarHBondContact O-N 3.47Å; T151-I166 HydrophobicContact CG2-CD1 4.19Å; T151-I166 HydrophobicContact CG2-CG1 4.31Å; T151-I166 HydrophobicContact CG2-CG2 3.8Å
152	A	98.8	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-47.3	178.6	0	0	0	0	0	112.1	I148 P149 I150 V154 F155 K156 Y161 Y287	I148-A152 PolarHBondContact O-N 2.92Å; P149-A152 PolarHBondContact O-N 2.9Å; I150-A152 VanDerWaalsContact C-N 3.33Å; I150-A152 PolarHBondContact O-N 3.31Å; A152-V154 PolarHBondContact O-N 2.67Å; A152-F155 PolarHBondContact O-N 3.49Å; A152-K156 VanDerWaalsContact O-CG 3.28Å; A152-K156 WeakPolarHBondContact O-CG 3.44Å; A152-K156 PolarHBondContact O-N 3.3Å; A152-Y161 HydrophobicContact CB-CD2 4.21Å; A152-Y161 HydrophobicContact CB-CE2 3.55Å; A152-Y287 HydrophobicContact CB-CE1 3.98Å; A152-Y287 WeakPolarHBondContact CB-OH 3.44Å
153	E	98.7	Very high	98.4	Very high	39 Å²	39	30.3 Å²	30.3	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-37.9	178.1	-67.5	-51.6	121.7	0	0	112.4	P149 I150 K156 K157 E331 V334	P149-E153 WeakPolarHBondContact O-CG 3.26Å; P149-E153 PolarHBondContact O-N 2.86Å; I150-E153 PolarHBondContact O-N 3.34Å; E153-K156 PolarHBondContact O-N 3.02Å; E153-K156 IonicContact OE1-NZ 2.68Å; E153-K156 PolarHBondContact OE1-NZ 2.98Å; E153-K157 PolarHBondContact O-N 3.24Å; E153-E331 HydrophobicContact CG-CB 4.39Å; E153-E331 HydrophobicContact CG-CG 4.24Å; E153-V334 HydrophobicContact CB-CB 3.76Å; E153-V334 HydrophobicContact CB-CG1 3.66Å; E153-V334 HydrophobicContact CB-CG2 3.95Å
154	V	98.7	Very high	98.5	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-46.3	174.2	170.3	0	0	0	0	111	A122 A126 I150 T151 A152 K156 K157 H158 V334	A122-V154 HydrophobicContact CB-CG2 4.12Å; A126-V154 HydrophobicContact CB-CG1 3.76Å; I150-V154 HydrophobicContact CG2-CG2 4.35Å; I150-V154 WeakPolarHBondContact O-CB 3.15Å; I150-V154 VanDerWaalsContact O-CG2 3.29Å; I150-V154 WeakPolarHBondContact O-CG2 3.47Å; I150-V154 PolarHBondContact O-N 3.03Å; T151-V154 PolarHBondContact O-N 3.41Å; A152-V154 PolarHBondContact O-N 2.67Å; V154-K156 VanDerWaalsContact C-N 3.32Å; V154-K156 PolarHBondContact O-N 2.87Å; V154-K157 PolarHBondContact O-N 3.3Å; V154-H158 PolarHBondContact O-N 3.47Å; V154-H158 PolarHBondContact O-ND1 2.97Å; V154-V334 HydrophobicContact CG2-CG1 4.16Å; V154-V334 HydrophobicContact CG2-CG2 4.13Å
155	F	98.7	Very high	98.6	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-36.4	175.9	-91	-113.9	0	0	0	112.5	T125 C128 A129 I137 T151 A152 H158 G159 V160 Y161 I166	T125-F155 VanDerWaalsContact O-CE2 3.28Å; T125-F155 WeakPolarHBondContact O-CE2 3.46Å; C128-F155 HydrophobicContact CB-CE2 4.21Å; C128-F155 HydrophobicContact CB-CZ 3.93Å; A129-F155 HydrophobicContact CB-CD1 4.28Å; A129-F155 HydrophobicContact CB-CD2 4.09Å; A129-F155 HydrophobicContact CB-CE1 4.26Å; A129-F155 HydrophobicContact CB-CE2 4.07Å; A129-F155 HydrophobicContact CB-CG 4.2Å; A129-F155 HydrophobicContact CB-CZ 4.14Å; I137-F155 HydrophobicContact CD1-CZ 3.99Å; I137-F155 HydrophobicContact CG1-CE1 4.24Å; I137-F155 HydrophobicContact CG1-CE2 4.3Å; I137-F155 HydrophobicContact CG1-CZ 3.64Å; T151-F155 HydrophobicContact CG2-CD2 4.11Å; T151-F155 HydrophobicContact CG2-CE2 4.17Å; T151-F155 VanDerWaalsContact O-CD2 3.31Å; T151-F155 WeakPolarHBondContact O-CD2 3.5Å; T151-F155 PolarHBondContact O-N 3.47Å; A152-F155 PolarHBondContact O-N 3.49Å; F155-H158 CarbonylContact O-C 3.58Å; F155-H158 PolarHBondContact O-N 3.01Å; F155-G159 PolarHBondContact O-N 3.43Å; F155-V160 HydrophobicContact CD1-CG2 3.92Å; F155-V160 HydrophobicContact CE1-CG2 4.45Å; F155-V160 HydrophobicContact CG-CG2 4.5Å; F155-V160 PolarHBondContact O-N 3.36Å; F155-V160 VanDerWaalsContact O-N 3.15Å; F155-Y161 HydrophobicContact CB-CD2 4.01Å; F155-Y161 PolarHBondContact O-N 3.06Å; F155-I166 HydrophobicContact CB-CD1 4.21Å; F155-I166 HydrophobicContact CD1-CD1 4.1Å; F155-I166 HydrophobicContact CD2-CD1 4.28Å; F155-I166 HydrophobicContact CG-CD1 3.94Å
156	K	98.5	Very high	98.6	Very high	84 Å²	84	33.3 Å²	33.3	37%	0.365	18%	0.18	S	C	.	.	H	α-helix	trans	-64.2	-43.8	174.6	-73.7	173.3	-167.6	170.9	0	111.5	A152 E153 V154 H158 G159 Y161	A152-K156 VanDerWaalsContact O-CG 3.28Å; A152-K156 WeakPolarHBondContact O-CG 3.44Å; A152-K156 PolarHBondContact O-N 3.3Å; E153-K156 PolarHBondContact O-N 3.02Å; E153-K156 IonicContact OE1-NZ 2.68Å; E153-K156 PolarHBondContact OE1-NZ 2.98Å; V154-K156 VanDerWaalsContact C-N 3.32Å; V154-K156 PolarHBondContact O-N 2.87Å; K156-H158 PolarHBondContact O-N 3.47Å; K156-G159 PolarHBondContact O-N 3.33Å; K156-Y161 HydrophobicContact CD-CD1 4.47Å; K156-Y161 HydrophobicContact CG-CD1 3.83Å; K156-Y161 HydrophobicContact CG-CD2 4.34Å; K156-Y161 HydrophobicContact CG-CG 3.68Å
157	K	97.6	Very high	98.6	Very high	115 Å²	115	33.1 Å²	33.1	50%	0.5	18%	0.179	S	C	.	.	H	α-helix	trans	-57.8	-31.4	174.5	-79.2	-172.7	171	-173.6	0	112.7	E153 V154 V334 L337	E153-K157 PolarHBondContact O-N 3.24Å; V154-K157 PolarHBondContact O-N 3.3Å; K157-V334 HydrophobicContact CD-CG1 3.96Å; K157-V334 PolarHBondContact NZ-O 2.95Å; K157-L337 PolarHBondContact NZ-O 3.46Å
158	H	98.2	Very high	98.6	Very high	72 Å²	72	33.1 Å²	33.1	33%	0.333	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.5	176.2	-68.7	79	0	0	0	113.7	A129 V154 F155 K156 V160	A129-H158 HydrophobicContact CB-CB 3.83Å; V154-H158 PolarHBondContact O-N 3.47Å; V154-H158 PolarHBondContact O-ND1 2.97Å; F155-H158 CarbonylContact O-C 3.58Å; F155-H158 PolarHBondContact O-N 3.01Å; K156-H158 PolarHBondContact O-N 3.47Å; H158-V160 VanDerWaalsContact C-N 3.27Å; H158-V160 HydrophobicContact CB-CG2 3.87Å; H158-V160 PolarHBondContact O-N 2.93Å
159	G	98.5	Very high	98.7	Very high	68 Å²	68	33.1 Å²	33.1	70%	0.701	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	15.6	178.7	0	0	0	0	0	115.3	F155 K156	F155-G159 PolarHBondContact O-N 3.43Å; K156-G159 PolarHBondContact O-N 3.33Å
160	V	98.7	Very high	98.7	Very high	46 Å²	46	33.2 Å²	33.2	28%	0.279	18%	0.18	S	C	.	.			trans	-121.2	17.1	-173	-64.6	0	0	0	0	113	A129 P133 F155 H158 N162	A129-V160 HydrophobicContact CB-CG2 3.71Å; P133-V160 HydrophobicContact CB-CB 3.76Å; P133-V160 HydrophobicContact CB-CG1 3.91Å; P133-V160 HydrophobicContact CB-CG2 3.99Å; F155-V160 HydrophobicContact CD1-CG2 3.92Å; F155-V160 HydrophobicContact CE1-CG2 4.45Å; F155-V160 HydrophobicContact CG-CG2 4.5Å; F155-V160 PolarHBondContact O-N 3.36Å; F155-V160 VanDerWaalsContact O-N 3.15Å; H158-V160 VanDerWaalsContact C-N 3.27Å; H158-V160 HydrophobicContact CB-CG2 3.87Å; H158-V160 PolarHBondContact O-N 2.93Å; V160-N162 PolarHBondContact O-N 3.12Å
161	Y	98.8	Very high	98.7	Very high	58 Å²	58	33.2 Å²	33.2	23%	0.227	18%	0.18	C	C	.	.			trans	-68.1	117.1	-177.7	177.6	-113.6	0	0	0	112.5	A152 F155 K156 P163 I166 K279	A152-Y161 HydrophobicContact CB-CD2 4.21Å; A152-Y161 HydrophobicContact CB-CE2 3.55Å; F155-Y161 HydrophobicContact CB-CD2 4.01Å; F155-Y161 PolarHBondContact O-N 3.06Å; K156-Y161 HydrophobicContact CD-CD1 4.47Å; K156-Y161 HydrophobicContact CG-CD1 3.83Å; K156-Y161 HydrophobicContact CG-CD2 4.34Å; K156-Y161 HydrophobicContact CG-CG 3.68Å; Y161-P163 HydrophobicContact CE1-CB 4Å; Y161-P163 HydrophobicContact CE1-CG 4.29Å; Y161-P163 WeakPolarHBondContact OH-CB 3.3Å; Y161-I166 HydrophobicContact CD2-CD1 3.69Å; Y161-I166 HydrophobicContact CE2-CD1 3.7Å; Y161-K279 WeakPolarHBondContact OH-CB 3.36Å
162	N	98.6	Very high	98.7	Very high	52 Å²	52	33.4 Å²	33.4	28%	0.278	18%	0.181	S	C	.	.			trans	-117.8	110.2	166.7	-175	-17.4	0	0	0	109.6	V160 N164 K165	V160-N162 PolarHBondContact O-N 3.12Å; N162-N164 PolarHBondContact O-N 2.96Å; N162-N164 VanDerWaalsContact O-N 3.14Å; N162-N164 WeakPolarHBondContact OD1-CB 3.38Å; N162-N164 PolarHBondContact OD1-N 3.43Å; N162-K165 HydrophobicContact CB-CB 4.49Å; N162-K165 HydrophobicContact CB-CG 4.36Å; N162-K165 PolarHBondContact O-N 3.42Å; N162-K165 VanDerWaalsContact O-N 3.16Å
163	P	98.6	Very high	98.6	Very high	46 Å²	46	33.5 Å²	33.5	30%	0.299	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-61.7	-23.1	-177.9	25.2	-34.2	0	0	0	113.3	Y161 K165 K279	Y161-P163 HydrophobicContact CE1-CB 4Å; Y161-P163 HydrophobicContact CE1-CG 4.29Å; Y161-P163 WeakPolarHBondContact OH-CB 3.3Å; P163-K165 PolarHBondContact O-N 2.88Å; P163-K279 HydrophobicContact CB-CB 3.97Å; P163-K279 HydrophobicContact CB-CG 4.22Å
164	N	98.7	Very high	98.7	Very high	69 Å²	69	31.8 Å²	31.8	37%	0.369	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-79.8	-4.5	-177.8	-64.6	-3.1	0	0	0	113.1	N162 F167 G298 I299	N162-N164 PolarHBondContact O-N 2.96Å; N162-N164 VanDerWaalsContact O-N 3.14Å; N162-N164 WeakPolarHBondContact OD1-CB 3.38Å; N162-N164 PolarHBondContact OD1-N 3.43Å; N164-F167 VanDerWaalsContact O-CZ 3.27Å; N164-F167 WeakPolarHBondContact O-CZ 3.18Å; N164-G298 CarbonylContact O-C 3.5Å; N164-G298 WeakPolarHBondContact O-CA 3.49Å; N164-I299 HydrophobicContact CB-CB 4.08Å; N164-I299 PolarHBondContact ND2-O 3.33Å; N164-I299 PolarHBondContact O-N 3.31Å
165	K	98.8	Very high	98.7	Very high	28 Å²	28	32.3 Å²	32.3	12%	0.122	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-118.6	3.9	-175.5	-61.7	-167.1	172.6	-177.3	0	114.5	E134 M136 I137 N162 P163	E134-K165 WeakPolarHBondContact O-CD 3.42Å; E134-K165 PolarHBondContact O-NZ 3.18Å; E134-K165 IonicContact OE2-NZ 2.57Å; E134-K165 PolarHBondContact OE2-NZ 3.14Å; M136-K165 CarbonylContact C-O 3.55Å; M136-K165 WeakPolarHBondContact CA-O 3.42Å; M136-K165 HydrophobicContact CE-CD 4.47Å; M136-K165 HydrophobicContact CE-CG 4.32Å; M136-K165 HydrophobicContact SD-CB 3.88Å; M136-K165 HydrophobicContact SD-CD 4.11Å; M136-K165 HydrophobicContact SD-CG 3.66Å; I137-K165 PolarHBondContact N-O 3.19Å; N162-K165 HydrophobicContact CB-CB 4.49Å; N162-K165 HydrophobicContact CB-CG 4.36Å; N162-K165 PolarHBondContact O-N 3.42Å; N162-K165 VanDerWaalsContact O-N 3.16Å; P163-K165 PolarHBondContact O-N 2.88Å
166	I	98.9	Very high	98.7	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.7	-179.2	-68	164.5	0	0	0	109.3	I137 I148 T151 F155 Y161	I137-I166 HydrophobicContact CB-CG1 4.19Å; I137-I166 HydrophobicContact CG1-CG1 4.34Å; I148-I166 HydrophobicContact CD1-CG2 3.77Å; T151-I166 HydrophobicContact CG2-CD1 4.19Å; T151-I166 HydrophobicContact CG2-CG1 4.31Å; T151-I166 HydrophobicContact CG2-CG2 3.8Å; F155-I166 HydrophobicContact CB-CD1 4.21Å; F155-I166 HydrophobicContact CD1-CD1 4.1Å; F155-I166 HydrophobicContact CD2-CD1 4.28Å; F155-I166 HydrophobicContact CG-CD1 3.94Å; Y161-I166 HydrophobicContact CD2-CD1 3.69Å; Y161-I166 HydrophobicContact CE2-CD1 3.7Å
167	F	98.9	Very high	98.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.8	-168.5	-59.2	-85.6	0	0	0	111.5	M136 I137 C138 V139 N164 F258 L262 S276 V278 L292 L294 I299	M136-F167 HydrophobicContact CB-CE2 4.21Å; M136-F167 HydrophobicContact SD-CE2 4Å; I137-F167 PolarHBondContact O-N 3.31Å; C138-F167 CarbonylContact C-O 3.6Å; C138-F167 WeakPolarHBondContact CA-O 3.31Å; V139-F167 PolarHBondContact N-O 3.06Å; N164-F167 VanDerWaalsContact O-CZ 3.27Å; N164-F167 WeakPolarHBondContact O-CZ 3.18Å; F167-F258 HydrophobicContact CB-CE1 3.64Å; F167-F258 HydrophobicContact CB-CZ 3.77Å; F167-F258 HydrophobicContact CD1-CE1 4.32Å; F167-F258 AromaticContact CD1-CZ 3.76Å; F167-F258 HydrophobicContact CD1-CZ 3.76Å; F167-F258 AromaticContact CG-CE1 3.98Å; F167-F258 HydrophobicContact CG-CE1 3.98Å; F167-F258 AromaticContact CG-CZ 3.89Å; F167-F258 HydrophobicContact CG-CZ 3.89Å; F167-L262 HydrophobicContact CD2-CD1 4.29Å; F167-L262 HydrophobicContact CE1-CD2 4.25Å; F167-L262 HydrophobicContact CE2-CD1 4.4Å; F167-L262 HydrophobicContact CE2-CD2 3.88Å; F167-L262 HydrophobicContact CZ-CD2 3.73Å; F167-S276 WeakPolarHBondContact CB-OG 3.31Å; F167-V278 HydrophobicContact CD1-CG1 3.91Å; F167-L292 HydrophobicContact CE1-CD1 4.45Å; F167-L294 HydrophobicContact CE1-CD2 3.96Å; F167-L294 HydrophobicContact CZ-CD2 4.4Å; F167-I299 HydrophobicContact CD1-CG1 4.38Å; F167-I299 HydrophobicContact CE1-CD1 4.01Å; F167-I299 HydrophobicContact CE1-CG1 3.39Å; F167-I299 HydrophobicContact CZ-CG1 3.8Å
168	G	98.9	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.1	164.5	0	0	0	0	0	109.3	T170 S276 F277	G168-T170 PolarHBondContact O-N 3.39Å; G168-S276 PolarHBondContact N-OG 2.93Å; G168-S276 PolarHBondContact O-OG 2.89Å; G168-F277 WeakPolarHBondContact CA-O 3.15Å; G168-F277 PolarHBondContact N-O 3.19Å; G168-F277 PolarHBondContact O-N 3.24Å
169	V	98.8	Very high	98.8	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.012	14%	0.14	C	C	.	.			trans	-77.7	97	-175.2	-176	0	0	0	0	109.6	C138 V139 I140 M251 F258	C138-V169 HydrophobicContact CB-CG2 3.86Å; V139-V169 PolarHBondContact O-N 2.94Å; I140-V169 HydrophobicContact CG1-CB 3.79Å; I140-V169 HydrophobicContact CG1-CG1 4.22Å; I140-V169 HydrophobicContact CG1-CG2 3.78Å; V169-M251 HydrophobicContact CG1-CE 3.83Å; V169-F258 HydrophobicContact CG1-CB 4.22Å; V169-F258 HydrophobicContact CG1-CD1 4.44Å; V169-F258 HydrophobicContact CG1-CG 4.33Å; V169-F258 HydrophobicContact CG2-CD1 3.87Å; V169-F258 HydrophobicContact CG2-CE1 4.22Å
170	T	98.8	Very high	98.8	Very high	2 Å²	2	21 Å²	21	1%	0.012	11%	0.111	C	C	.	.			trans	-97.3	2.9	175.9	56.3	0	0	0	0	112.8	G168 L172 D173 I174 H200 C275 F277 S289	G168-T170 PolarHBondContact O-N 3.39Å; T170-L172 PolarHBondContact O-N 2.88Å; T170-D173 WeakPolarHBondContact O-CB 3.16Å; T170-D173 PolarHBondContact O-N 2.93Å; T170-I174 VanDerWaalsContact O-CD1 3.29Å; T170-I174 WeakPolarHBondContact O-CD1 3.26Å; T170-H200 HydrophobicContact CG2-CB 4.12Å; T170-C275 PolarHBondContact OG1-O 3.03Å; T170-F277 HydrophobicContact CG2-CB 3.78Å; T170-S289 PolarHBondContact OG1-OG 3.18Å
171	T	98.9	Very high	98.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-53.9	-27.7	-173.3	-45.5	0	0	0	0	113.9	D173 I174 V175 A254 R257 F258	T171-D173 VanDerWaalsContact C-N 3.26Å; T171-D173 PolarHBondContact O-N 3.24Å; T171-I174 PolarHBondContact O-N 3.32Å; T171-V175 HydrophobicContact CG2-CG2 4.38Å; T171-V175 VanDerWaalsContact O-CG2 3.31Å; T171-V175 WeakPolarHBondContact O-CG2 3.32Å; T171-V175 PolarHBondContact O-N 3.23Å; T171-A254 HydrophobicContact CG2-CB 4.26Å; T171-A254 WeakPolarHBondContact CG2-O 3.49Å; T171-R257 HydrophobicContact CG2-CG 4.38Å; T171-F258 WeakPolarHBondContact OG1-CB 3.27Å; T171-F258 WeakPolarHBondContact OG1-CD2 3.33Å
172	L	98.7	Very high	98.8	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-32	177.2	-177.3	59.4	0	0	0	112.4	T170 V175 R176 A247 M251 A254	T170-L172 PolarHBondContact O-N 2.88Å; L172-V175 PolarHBondContact O-N 3.45Å; L172-R176 HydrophobicContact CD1-CG 4.48Å; L172-R176 WeakPolarHBondContact O-CB 3.14Å; L172-R176 WeakPolarHBondContact O-CD 3.05Å; L172-R176 VanDerWaalsContact O-CG 3.27Å; L172-R176 WeakPolarHBondContact O-CG 3.36Å; L172-R176 PolarHBondContact O-N 2.72Å; L172-A247 HydrophobicContact CD2-CB 4.16Å; L172-M251 HydrophobicContact CB-CE 4.37Å; L172-M251 HydrophobicContact CB-SD 3.84Å; L172-M251 HydrophobicContact CD2-CB 4.17Å; L172-M251 HydrophobicContact CD2-SD 3.69Å; L172-M251 HydrophobicContact CG-SD 4.36Å; L172-A254 HydrophobicContact CB-CB 3.89Å; L172-A254 HydrophobicContact CD1-CB 4.2Å
173	D	98.7	Very high	98.8	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-70.2	-38.2	177.6	-57	-26.7	0	0	0	110.9	T170 T171 R176 A177 V196 H200 I205	T170-D173 WeakPolarHBondContact O-CB 3.16Å; T170-D173 PolarHBondContact O-N 2.93Å; T171-D173 VanDerWaalsContact C-N 3.26Å; T171-D173 PolarHBondContact O-N 3.24Å; D173-R176 PolarHBondContact O-N 2.91Å; D173-R176 IonicContact OD1-NH1 3.93Å; D173-A177 VanDerWaalsContact O-CB 3.31Å; D173-A177 WeakPolarHBondContact O-CB 3.28Å; D173-A177 PolarHBondContact O-N 2.8Å; D173-V196 HydrophobicContact CB-CB 4.43Å; D173-V196 HydrophobicContact CB-CG1 3.95Å; D173-H200 VanDerWaalsContact CG-ND1 3.28Å; D173-H200 IonicContact OD1-CE1 3.26Å; D173-H200 PolarHBondContact OD1-CE1 3.21Å; D173-H200 IonicContact OD1-ND1 3.72Å; D173-H200 PolarHBondContact OD1-ND1 3.35Å; D173-H200 IonicContact OD2-CE1 2.67Å; D173-H200 PolarHBondContact OD2-CE1 3.37Å; D173-H200 IonicContact OD2-CG 3.64Å; D173-H200 IonicContact OD2-ND1 3.98Å; D173-H200 PolarHBondContact OD2-ND1 2.55Å; D173-I205 HydrophobicContact CB-CG2 3.95Å
174	I	98.8	Very high	98.8	Very high	3 Å²	3	21 Å²	21	2%	0.015	11%	0.106	C	C	.	.	H	α-helix	trans	-65.6	-45.4	174.8	-65.8	78.8	0	0	0	109.5	T170 T171 R176 A177 N178 V196 C275	T170-I174 VanDerWaalsContact O-CD1 3.29Å; T170-I174 WeakPolarHBondContact O-CD1 3.26Å; T171-I174 PolarHBondContact O-N 3.32Å; I174-R176 VanDerWaalsContact C-N 3.34Å; I174-R176 PolarHBondContact O-N 3.27Å; I174-A177 PolarHBondContact O-N 3.2Å; I174-N178 WeakPolarHBondContact O-CB 3.49Å; I174-N178 PolarHBondContact O-N 2.97Å; I174-N178 PolarHBondContact O-OD1 3.44Å; I174-V196 HydrophobicContact CD1-CB 3.86Å; I174-V196 HydrophobicContact CD1-CG2 4.33Å; I174-V196 HydrophobicContact CG1-CB 3.94Å; I174-V196 HydrophobicContact CG1-CG2 3.96Å; I174-C275 HydrophobicContact CD1-CB 3.65Å; I174-C275 HydrophobicContact CG1-CB 3.99Å
175	V	98.8	Very high	98.7	Very high	19 Å²	19	21.3 Å²	21.3	12%	0.115	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-46.3	176.4	169.9	0	0	0	0	110.7	T171 L172 N178 T179 Y253 A254	T171-V175 HydrophobicContact CG2-CG2 4.38Å; T171-V175 VanDerWaalsContact O-CG2 3.31Å; T171-V175 WeakPolarHBondContact O-CG2 3.32Å; T171-V175 PolarHBondContact O-N 3.23Å; L172-V175 PolarHBondContact O-N 3.45Å; V175-N178 PolarHBondContact O-N 3.31Å; V175-T179 PolarHBondContact O-N 3.32Å; V175-T179 PolarHBondContact O-OG1 2.95Å; V175-T179 VanDerWaalsContact O-OG1 3.07Å; V175-Y253 HydrophobicContact CG1-CD1 4.16Å; V175-Y253 HydrophobicContact CG1-CE1 4.05Å; V175-Y253 HydrophobicContact CG2-CD1 4.18Å; V175-Y253 HydrophobicContact CG2-CE1 3.87Å; V175-A254 HydrophobicContact CG2-CB 4.2Å
176	R	98.7	Very high	98.7	Very high	28 Å²	28	23.4 Å²	23.4	11%	0.106	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-46.5	175.9	-76	162.7	165.9	157.6	-2.2	112.4	L172 D173 I174 N178 T179 F180 A233	L172-R176 HydrophobicContact CD1-CG 4.48Å; L172-R176 WeakPolarHBondContact O-CB 3.14Å; L172-R176 WeakPolarHBondContact O-CD 3.05Å; L172-R176 VanDerWaalsContact O-CG 3.27Å; L172-R176 WeakPolarHBondContact O-CG 3.36Å; L172-R176 PolarHBondContact O-N 2.72Å; D173-R176 PolarHBondContact O-N 2.91Å; D173-R176 IonicContact OD1-NH1 3.93Å; I174-R176 VanDerWaalsContact C-N 3.34Å; I174-R176 PolarHBondContact O-N 3.27Å; R176-N178 VanDerWaalsContact C-N 3.34Å; R176-N178 PolarHBondContact O-N 3.32Å; R176-T179 PolarHBondContact O-N 2.98Å; R176-F180 HydrophobicContact CB-CD2 4.47Å; R176-F180 HydrophobicContact CB-CE2 4Å; R176-F180 HydrophobicContact CB-CZ 4.27Å; R176-F180 HydrophobicContact CG-CE2 4.48Å; R176-F180 HydrophobicContact CG-CZ 4.36Å; R176-F180 WeakPolarHBondContact O-CB 3.32Å; R176-F180 WeakPolarHBondContact O-CD2 3.29Å; R176-F180 WeakPolarHBondContact O-CG 3.36Å; R176-F180 PolarHBondContact O-N 3.42Å; R176-A233 HydrophobicContact CG-CB 4.32Å
177	A	98.9	Very high	98.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.3	-46.2	178.5	0	0	0	0	0	111.3	D173 I174 T179 F180 V181 V194 V196 I230	D173-A177 VanDerWaalsContact O-CB 3.31Å; D173-A177 WeakPolarHBondContact O-CB 3.28Å; D173-A177 PolarHBondContact O-N 2.8Å; I174-A177 PolarHBondContact O-N 3.2Å; A177-T179 PolarHBondContact O-N 3.37Å; A177-F180 PolarHBondContact O-N 3.47Å; A177-V181 WeakPolarHBondContact O-CB 3.46Å; A177-V181 WeakPolarHBondContact O-CG2 3.37Å; A177-V181 PolarHBondContact O-N 3.14Å; A177-V194 HydrophobicContact CB-CB 3.86Å; A177-V194 HydrophobicContact CB-CG1 3.96Å; A177-V194 HydrophobicContact CB-CG2 4.32Å; A177-V196 HydrophobicContact CB-CG2 3.88Å; A177-I230 HydrophobicContact CB-CD1 3.76Å; A177-I230 HydrophobicContact CB-CG1 4.33Å; A177-I230 HydrophobicContact CB-CG2 4.5Å
178	N	98.8	Very high	98.6	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.053	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-47.6	176.5	-66.2	-4.4	0	0	0	111.6	I174 V175 R176 A182 V192 N193 V194	I174-N178 WeakPolarHBondContact O-CB 3.49Å; I174-N178 PolarHBondContact O-N 2.97Å; I174-N178 PolarHBondContact O-OD1 3.44Å; V175-N178 PolarHBondContact O-N 3.31Å; R176-N178 VanDerWaalsContact C-N 3.34Å; R176-N178 PolarHBondContact O-N 3.32Å; N178-A182 WeakPolarHBondContact O-CB 3.4Å; N178-A182 PolarHBondContact O-N 3.45Å; N178-V192 HydrophobicContact CB-CB 4.35Å; N178-V192 HydrophobicContact CB-CG1 4.23Å; N178-V192 PolarHBondContact ND2-O 3Å; N178-V192 PolarHBondContact OD1-O 3.26Å; N178-N193 WeakPolarHBondContact OD1-CA 3.49Å; N178-V194 PolarHBondContact OD1-N 2.68Å
179	T	98.8	Very high	98.6	Very high	48 Å²	48	33.5 Å²	33.5	29%	0.294	19%	0.191	S	C	.	.	H	α-helix	trans	-60.1	-50.4	178.1	-63.2	0	0	0	0	111.7	V175 R176 A177 A182 E183	V175-T179 PolarHBondContact O-N 3.32Å; V175-T179 PolarHBondContact O-OG1 2.95Å; V175-T179 VanDerWaalsContact O-OG1 3.07Å; R176-T179 PolarHBondContact O-N 2.98Å; A177-T179 PolarHBondContact O-N 3.37Å; T179-A182 PolarHBondContact O-N 3.27Å; T179-E183 HydrophobicContact CG2-CG 4.48Å; T179-E183 WeakPolarHBondContact CG2-OE1 3.28Å; T179-E183 WeakPolarHBondContact O-CG 3.44Å; T179-E183 PolarHBondContact O-N 3.41Å
180	F	98.7	Very high	98.6	Very high	19 Å²	19	37.3 Å²	37.3	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-70.6	-36.8	-175.2	-58.6	-21.3	0	0	0	112.8	R176 A177 L184 L226 R229 I230 A233	R176-F180 HydrophobicContact CB-CD2 4.47Å; R176-F180 HydrophobicContact CB-CE2 4Å; R176-F180 HydrophobicContact CB-CZ 4.27Å; R176-F180 HydrophobicContact CG-CE2 4.48Å; R176-F180 HydrophobicContact CG-CZ 4.36Å; R176-F180 WeakPolarHBondContact O-CB 3.32Å; R176-F180 WeakPolarHBondContact O-CD2 3.29Å; R176-F180 WeakPolarHBondContact O-CG 3.36Å; R176-F180 PolarHBondContact O-N 3.42Å; A177-F180 PolarHBondContact O-N 3.47Å; F180-L184 WeakPolarHBondContact O-CG 3.39Å; F180-L184 PolarHBondContact O-N 2.65Å; F180-L184 VanDerWaalsContact O-N 3.13Å; F180-L226 HydrophobicContact CB-CD1 3.57Å; F180-R229 HydrophobicContact CD2-CG 4.09Å; F180-R229 HydrophobicContact CE2-CG 3.86Å; F180-R229 HydrophobicContact CZ-CG 4.4Å; F180-I230 HydrophobicContact CD2-CG1 3.77Å; F180-I230 HydrophobicContact CE2-CG1 4.39Å; F180-A233 HydrophobicContact CE2-CB 3.98Å; F180-A233 HydrophobicContact CZ-CB 4.11Å
181	V	98.7	Very high	98.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-44.6	172.5	167.6	0	0	0	0	110.6	A177 L184 K185 V192 V194 I209 V216 F218 L226	A177-V181 WeakPolarHBondContact O-CB 3.46Å; A177-V181 WeakPolarHBondContact O-CG2 3.37Å; A177-V181 PolarHBondContact O-N 3.14Å; V181-L184 PolarHBondContact O-N 3.37Å; V181-K185 WeakPolarHBondContact O-CB 3.2Å; V181-K185 PolarHBondContact O-N 2.8Å; V181-V192 HydrophobicContact CB-CG1 4.04Å; V181-V192 HydrophobicContact CG1-CG1 3.82Å; V181-V194 HydrophobicContact CB-CG2 4.34Å; V181-V194 HydrophobicContact CG2-CG2 3.86Å; V181-I209 HydrophobicContact CG2-CD1 3.93Å; V181-V216 HydrophobicContact CG1-CG1 3.96Å; V181-V216 HydrophobicContact CG1-CG2 4.13Å; V181-F218 HydrophobicContact CG1-CE2 4.42Å; V181-F218 HydrophobicContact CG2-CE2 4.41Å; V181-L226 HydrophobicContact CG2-CD2 3.73Å
182	A	98.7	Very high	98.5	Very high	2 Å²	2	47 Å²	47	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-45.9	179	0	0	0	0	0	112.1	N178 T179 L184 K185 G186 L187 P189 V192	N178-A182 WeakPolarHBondContact O-CB 3.4Å; N178-A182 PolarHBondContact O-N 3.45Å; T179-A182 PolarHBondContact O-N 3.27Å; A182-L184 PolarHBondContact O-N 3.3Å; A182-K185 PolarHBondContact O-N 2.91Å; A182-G186 WeakPolarHBondContact O-CA 3.36Å; A182-G186 PolarHBondContact O-N 3.28Å; A182-L187 HydrophobicContact CB-CB 4.38Å; A182-L187 PolarHBondContact O-N 3.03Å; A182-P189 HydrophobicContact CB-CB 3.7Å; A182-P189 HydrophobicContact CB-CG 4.44Å; A182-V192 HydrophobicContact CB-CG2 3.86Å
183	E	98.5	Very high	98.5	Very high	113 Å²	113	50.3 Å²	50.3	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-54.5	-50.1	174.7	-77.3	172.1	-175	0	0	111.7	T179 K185 R229	T179-E183 HydrophobicContact CG2-CG 4.48Å; T179-E183 WeakPolarHBondContact CG2-OE1 3.28Å; T179-E183 WeakPolarHBondContact O-CG 3.44Å; T179-E183 PolarHBondContact O-N 3.41Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 3.32Å; E183-R229 IonicContact OE2-CZ 3.79Å; E183-R229 IonicContact OE2-NH1 3.07Å; E183-R229 PolarHBondContact OE2-NH1 2.87Å; E183-R229 IonicContact OE2-NH2 3.54Å
184	L	98.3	Very high	98.6	Very high	86 Å²	86	50.2 Å²	50.2	45%	0.45	28%	0.278	S	S	.	.	H	α-helix	trans	-72.4	-22.8	-176.3	-69.6	172.6	0	0	0	113.8	F180 V181 A182 F218 L226	F180-L184 WeakPolarHBondContact O-CG 3.39Å; F180-L184 PolarHBondContact O-N 2.65Å; F180-L184 VanDerWaalsContact O-N 3.13Å; V181-L184 PolarHBondContact O-N 3.37Å; A182-L184 PolarHBondContact O-N 3.3Å; L184-F218 HydrophobicContact CB-CE1 3.71Å; L184-F218 HydrophobicContact CB-CZ 3.84Å; L184-F218 HydrophobicContact CD1-CE1 3.94Å; L184-F218 HydrophobicContact CD1-CZ 4.12Å; L184-F218 HydrophobicContact CG-CE1 4.46Å; L184-L226 HydrophobicContact CD1-CB 4.23Å; L184-L226 HydrophobicContact CD1-CD1 3.92Å; L184-L226 HydrophobicContact CD1-CD2 4.25Å; L184-L226 HydrophobicContact CD1-CG 4.35Å
185	K	98.1	Very high	98.6	Very high	77 Å²	77	50.7 Å²	50.7	34%	0.335	28%	0.281	S	S	.	.	H	α-helix	trans	-105.4	0.2	-179.6	-67.9	-57.1	-168.6	-170.9	0	114.3	V181 A182 E183 L187 V216 D217 F218	V181-K185 WeakPolarHBondContact O-CB 3.2Å; V181-K185 PolarHBondContact O-N 2.8Å; A182-K185 PolarHBondContact O-N 2.91Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 3.32Å; K185-L187 HydrophobicContact CB-CD1 3.81Å; K185-L187 HydrophobicContact CB-CG 3.72Å; K185-L187 PolarHBondContact O-N 3.23Å; K185-V216 HydrophobicContact CG-CB 4.29Å; K185-V216 HydrophobicContact CG-CG1 3.97Å; K185-D217 VanDerWaalsContact CE-O 3.29Å; K185-D217 WeakPolarHBondContact CE-O 3.45Å; K185-D217 PolarHBondContact NZ-O 2.75Å; K185-F218 HydrophobicContact CD-CE1 4.01Å; K185-F218 HydrophobicContact CD-CZ 3.94Å; K185-F218 VanDerWaalsContact CE-CE1 3.44Å; K185-F218 VanDerWaalsContact CE-CZ 3.48Å; K185-F218 HydrophobicContact CG-CE1 4.19Å; K185-F218 HydrophobicContact CG-CE2 4.23Å; K185-F218 HydrophobicContact CG-CZ 3.63Å
186	G	98.1	Very high	98.6	Very high	72 Å²	72	49.9 Å²	49.9	74%	0.742	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	34.8	-176	0	0	0	0	0	112.7	A182	A182-G186 WeakPolarHBondContact O-CA 3.36Å; A182-G186 PolarHBondContact O-N 3.28Å
187	L	98.3	Very high	98.6	Very high	65 Å²	65	48.6 Å²	48.6	34%	0.34	27%	0.271	S	S	.	.			trans	-99.4	162.1	179.4	-56.4	175.7	0	0	0	110.6	A182 K185 P189 V192 P214 V216	A182-L187 HydrophobicContact CB-CB 4.38Å; A182-L187 PolarHBondContact O-N 3.03Å; K185-L187 HydrophobicContact CB-CD1 3.81Å; K185-L187 HydrophobicContact CB-CG 3.72Å; K185-L187 PolarHBondContact O-N 3.23Å; L187-P189 WeakPolarHBondContact O-CD 3.3Å; L187-V192 HydrophobicContact CB-CG2 3.99Å; L187-V192 HydrophobicContact CD1-CG2 3.96Å; L187-P214 HydrophobicContact CD1-CG 3.92Å; L187-V216 HydrophobicContact CD1-CG1 4.19Å
188	D	98.4	Very high	98.6	Very high	89 Å²	89	48.6 Å²	48.6	48%	0.476	27%	0.271	S	S	.	.			trans	-73.3	119.4	165.8	175	5.4	0	0	0	109.7	A190 R191	D188-A190 PolarHBondContact O-N 3.42Å; D188-A190 VanDerWaalsContact O-N 3.14Å; D188-A190 WeakPolarHBondContact OD1-CB 3.48Å; D188-A190 PolarHBondContact OD1-N 3.01Å; D188-R191 HydrophobicContact CB-CG 4.27Å; D188-R191 PolarHBondContact O-N 3.49Å
189	P	98.3	Very high	98.5	Very high	63 Å²	63	48.1 Å²	48.1	41%	0.409	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-60.2	-23.1	179.3	25	-34.8	0	0	0	113.8	A182 L187 R191 V192	A182-P189 HydrophobicContact CB-CB 3.7Å; A182-P189 HydrophobicContact CB-CG 4.44Å; L187-P189 WeakPolarHBondContact O-CD 3.3Å; P189-R191 PolarHBondContact O-N 3.14Å; P189-V192 PolarHBondContact O-N 3.19Å
190	A	98.2	Very high	98.5	Very high	83 Å²	83	47 Å²	47	69%	0.686	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-68.8	-14.9	174.5	0	0	0	0	0	113.2	D188	D188-A190 PolarHBondContact O-N 3.42Å; D188-A190 VanDerWaalsContact O-N 3.14Å; D188-A190 WeakPolarHBondContact OD1-CB 3.48Å; D188-A190 PolarHBondContact OD1-N 3.01Å
191	R	98.2	Very high	98.3	Very high	199 Å²	199	47.6 Å²	47.6	75%	0.751	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-107.2	1.4	178.6	-60.5	-62.9	-171.2	152.7	1.9	113.4	D188 P189 P214	D188-R191 HydrophobicContact CB-CG 4.27Å; D188-R191 PolarHBondContact O-N 3.49Å; P189-R191 PolarHBondContact O-N 3.14Å; R191-P214 VanDerWaalsContact O-CD 3.24Å; R191-P214 WeakPolarHBondContact O-CD 3.45Å
192	V	98.7	Very high	98.1	Very high	6 Å²	6	48.7 Å²	48.7	4%	0.036	28%	0.28	C	S	.	.			trans	-99.4	133.3	177.3	178.9	0	0	0	0	109.9	N178 V181 A182 L187 P189 V194 T213	N178-V192 HydrophobicContact CB-CB 4.35Å; N178-V192 HydrophobicContact CB-CG1 4.23Å; N178-V192 PolarHBondContact ND2-O 3Å; N178-V192 PolarHBondContact OD1-O 3.26Å; V181-V192 HydrophobicContact CB-CG1 4.04Å; V181-V192 HydrophobicContact CG1-CG1 3.82Å; A182-V192 HydrophobicContact CB-CG2 3.86Å; L187-V192 HydrophobicContact CB-CG2 3.99Å; L187-V192 HydrophobicContact CD1-CG2 3.96Å; P189-V192 PolarHBondContact O-N 3.19Å; V192-V194 HydrophobicContact CG1-CG2 4.11Å; V192-T213 CarbonylContact C-O 3.54Å; V192-T213 WeakPolarHBondContact CA-O 3.36Å
193	N	98.7	Very high	98.1	Very high	73 Å²	73	53 Å²	53	39%	0.39	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-135.4	113	172.4	-168.4	-76.4	0	0	0	110	N178 C212 T213	N178-N193 WeakPolarHBondContact OD1-CA 3.49Å; N193-C212 CarbonylContact O-C 3.58Å; N193-C212 WeakPolarHBondContact O-CA 3.48Å; N193-T213 PolarHBondContact N-O 2.83Å; N193-T213 PolarHBondContact O-N 3.26Å
194	V	98.8	Very high	98.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.273	C	S	.	.			trans	-111.6	115.9	174.5	-179.7	0	0	0	0	108.4	A177 N178 V181 V192 V196 P207 I209 C212	A177-V194 HydrophobicContact CB-CB 3.86Å; A177-V194 HydrophobicContact CB-CG1 3.96Å; A177-V194 HydrophobicContact CB-CG2 4.32Å; N178-V194 PolarHBondContact OD1-N 2.68Å; V181-V194 HydrophobicContact CB-CG2 4.34Å; V181-V194 HydrophobicContact CG2-CG2 3.86Å; V192-V194 HydrophobicContact CG1-CG2 4.11Å; V194-V196 HydrophobicContact CG1-CG2 4.45Å; V194-V196 PolarHBondContact O-N 3.46Å; V194-P207 HydrophobicContact CG1-CB 4.31Å; V194-I209 HydrophobicContact CG1-CD1 3.82Å; V194-I209 HydrophobicContact CG2-CD1 4.48Å; V194-C212 HydrophobicContact CG2-CB 4.06Å
195	P	98.8	Very high	98.1	Very high	12 Å²	12	44 Å²	44	8%	0.078	25%	0.254	C	S	.	.			trans	-61.1	132.6	168.1	-22.5	34.5	0	0	0	110.7	L208 Q211 P291	P195-L208 HydrophobicContact CB-CB 4.35Å; P195-L208 HydrophobicContact CB-CD1 4.44Å; P195-L208 WeakPolarHBondContact O-CB 3.38Å; P195-L208 PolarHBondContact O-N 2.93Å; P195-Q211 HydrophobicContact CG-CB 4.01Å; P195-P291 HydrophobicContact CB-CG 4.11Å
196	V	98.9	Very high	98.1	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.9	173.8	-175.1	0	0	0	0	108.8	D173 I174 A177 V194 I205 I206 P207 S289	D173-V196 HydrophobicContact CB-CB 4.43Å; D173-V196 HydrophobicContact CB-CG1 3.95Å; I174-V196 HydrophobicContact CD1-CB 3.86Å; I174-V196 HydrophobicContact CD1-CG2 4.33Å; I174-V196 HydrophobicContact CG1-CB 3.94Å; I174-V196 HydrophobicContact CG1-CG2 3.96Å; A177-V196 HydrophobicContact CB-CG2 3.88Å; V194-V196 HydrophobicContact CG1-CG2 4.45Å; V194-V196 PolarHBondContact O-N 3.46Å; V196-I205 HydrophobicContact CG1-CG2 3.63Å; V196-I206 WeakPolarHBondContact CA-O 3.2Å; V196-P207 HydrophobicContact CG2-CB 4.18Å; V196-S289 PolarHBondContact O-OG 2.94Å
197	I	98.9	Very high	98.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	178	-174.1	72.4	166.6	0	0	0	111.6	I206 L208 F288 S289 T290 I305 I316	I197-I206 HydrophobicContact CD1-CG2 4.39Å; I197-I206 HydrophobicContact CG1-CB 3.74Å; I197-I206 HydrophobicContact CG1-CD1 4.3Å; I197-I206 HydrophobicContact CG1-CG2 3.92Å; I197-I206 PolarHBondContact N-O 3.17Å; I197-I206 PolarHBondContact O-N 3Å; I197-L208 HydrophobicContact CD1-CD1 3.98Å; I197-L208 HydrophobicContact CD1-CD2 3.93Å; I197-L208 HydrophobicContact CD1-CG 4.23Å; I197-L208 HydrophobicContact CG1-CD1 4.18Å; I197-L208 HydrophobicContact CG1-CD2 4.06Å; I197-L208 HydrophobicContact CG1-CG 4.1Å; I197-L208 HydrophobicContact CG2-CD1 3.7Å; I197-L208 HydrophobicContact CG2-CG 4.18Å; I197-F288 HydrophobicContact CB-CE1 4.03Å; I197-F288 HydrophobicContact CD1-CE1 4.04Å; I197-F288 HydrophobicContact CD1-CZ 4.38Å; I197-F288 HydrophobicContact CG1-CE1 4.21Å; I197-S289 CarbonylContact C-O 3.57Å; I197-S289 WeakPolarHBondContact CA-O 3.26Å; I197-S289 WeakPolarHBondContact CB-O 3.36Å; I197-T290 HydrophobicContact CG2-CG2 4.49Å; I197-I305 HydrophobicContact CD1-CB 4.48Å; I197-I305 HydrophobicContact CD1-CG1 4.09Å; I197-I305 HydrophobicContact CD1-CG2 3.93Å; I197-I316 HydrophobicContact CD1-CD1 3.85Å; I197-I316 HydrophobicContact CD1-CG1 3.94Å
198	G	98.8	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.3	-105.9	175.9	0	0	0	0	0	112.8	T204 F277 F288 S289	G198-T204 CarbonylContact C-O 3.53Å; G198-T204 WeakPolarHBondContact CA-O 3.5Å; G198-F277 VanDerWaalsContact O-CD2 3.27Å; G198-F277 WeakPolarHBondContact O-CD2 3.16Å; G198-F277 WeakPolarHBondContact O-CE2 3.18Å; G198-F288 VanDerWaalsContact CA-CZ 3.42Å; G198-F288 VanDerWaalsContact N-CE1 3.3Å; G198-S289 PolarHBondContact N-O 2.81Å; G198-S289 WeakPolarHBondContact O-CB 3.33Å; G198-S289 PolarHBondContact O-N 3.17Å
199	G	98.4	Very high	98.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	17%	0.166	C	C	.	.			trans	-149.7	-158.4	177.4	0	0	0	0	0	111.6	N145 T204 I205	N145-G199 WeakPolarHBondContact OD1-CA 3.11Å; G199-T204 VanDerWaalsContact C-OG1 3.3Å; G199-T204 WeakPolarHBondContact CA-OG1 3.24Å; G199-T204 PolarHBondContact N-O 3.05Å; G199-I205 WeakPolarHBondContact O-CG1 3.12Å
200	H	97.7	Very high	98.2	Very high	23 Å²	23	29.8 Å²	29.8	11%	0.106	17%	0.166	C	C	.	.	S	Bend	trans	-122.9	34.7	-170.2	-163.3	50.8	0	0	0	113.5	V144 N145 T170 D173 T204	V144-H200 HydrophobicContact CB-CB 4.01Å; N145-H200 PolarHBondContact OD1-N 3.19Å; T170-H200 HydrophobicContact CG2-CB 4.12Å; D173-H200 VanDerWaalsContact CG-ND1 3.28Å; D173-H200 IonicContact OD1-CE1 3.26Å; D173-H200 PolarHBondContact OD1-CE1 3.21Å; D173-H200 IonicContact OD1-ND1 3.72Å; D173-H200 PolarHBondContact OD1-ND1 3.35Å; D173-H200 IonicContact OD2-CE1 2.67Å; D173-H200 PolarHBondContact OD2-CE1 3.37Å; D173-H200 IonicContact OD2-CG 3.64Å; D173-H200 IonicContact OD2-ND1 3.98Å; D173-H200 PolarHBondContact OD2-ND1 2.55Å; H200-T204 PolarHBondContact N-OG1 3.23Å
201	A	95.2	Very high	98.2	Very high	33 Å²	33	28.3 Å²	28.3	27%	0.273	15%	0.145	S	C	.	.	S	Bend	trans	-146.4	116.9	178.4	0	0	0	0	0	112.4	K203 T204	A201-K203 PolarHBondContact O-N 2.87Å; A201-T204 PolarHBondContact N-OG1 3.21Å; A201-T204 VanDerWaalsContact N-OG1 3.08Å; A201-T204 WeakPolarHBondContact O-CB 3.4Å; A201-T204 WeakPolarHBondContact O-CG2 3.47Å; A201-T204 PolarHBondContact O-N 3.1Å; A201-T204 PolarHBondContact O-OG1 3.38Å
202	G	94.7	Very high	98.2	Very high	23 Å²	23	19.1 Å²	19.1	24%	0.237	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	48.6	-125	172.4	0	0	0	0	0	112.5	T204 I205 Q231	G202-T204 PolarHBondContact O-N 3.47Å; G202-T204 VanDerWaalsContact O-N 3.07Å; G202-I205 WeakPolarHBondContact O-CB 3.15Å; G202-I205 PolarHBondContact O-N 3.49Å; G202-Q231 WeakPolarHBondContact O-CG 3.44Å
203	K	97.1	Very high	98.2	Very high	93 Å²	93	23.2 Å²	23.2	40%	0.404	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-62.6	-14.6	-179.1	65.3	167.2	178.7	164.7	0	115	A201 I205 D318 E322	A201-K203 PolarHBondContact O-N 2.87Å; K203-I205 PolarHBondContact O-N 3.42Å; K203-D318 WeakPolarHBondContact CE-O 3.47Å; K203-D318 PolarHBondContact NZ-O 3.26Å; K203-E322 WeakPolarHBondContact CE-OE2 3.45Å; K203-E322 VanDerWaalsContact CG-OE2 3.22Å; K203-E322 WeakPolarHBondContact CG-OE2 3.31Å; K203-E322 IonicContact NZ-OE2 2.91Å
204	T	98.5	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-74.2	-13.6	174	82.7	0	0	0	0	112.5	N145 G198 G199 H200 A201 G202 I206 E322 L323	N145-T204 PolarHBondContact ND2-OG1 3.07Å; N145-T204 VanDerWaalsContact ND2-OG1 3.16Å; G198-T204 CarbonylContact C-O 3.53Å; G198-T204 WeakPolarHBondContact CA-O 3.5Å; G199-T204 VanDerWaalsContact C-OG1 3.3Å; G199-T204 WeakPolarHBondContact CA-OG1 3.24Å; G199-T204 PolarHBondContact N-O 3.05Å; H200-T204 PolarHBondContact N-OG1 3.23Å; A201-T204 PolarHBondContact N-OG1 3.21Å; A201-T204 VanDerWaalsContact N-OG1 3.08Å; A201-T204 WeakPolarHBondContact O-CB 3.4Å; A201-T204 WeakPolarHBondContact O-CG2 3.47Å; A201-T204 PolarHBondContact O-N 3.1Å; A201-T204 PolarHBondContact O-OG1 3.38Å; G202-T204 PolarHBondContact O-N 3.47Å; G202-T204 VanDerWaalsContact O-N 3.07Å; T204-I206 PolarHBondContact O-N 3.27Å; T204-E322 HydrophobicContact CG2-CB 4.07Å; T204-E322 HydrophobicContact CG2-CG 3.87Å; T204-L323 HydrophobicContact CG2-CD2 3.91Å; T204-L323 HydrophobicContact CG2-CG 3.84Å
205	I	98.7	Very high	98.2	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	110.6	175.4	-58.2	166.7	0	0	0	107.5	D173 V196 G199 G202 K203 P207 I230 Q231	D173-I205 HydrophobicContact CB-CG2 3.95Å; V196-I205 HydrophobicContact CG1-CG2 3.63Å; G199-I205 WeakPolarHBondContact O-CG1 3.12Å; G202-I205 WeakPolarHBondContact O-CB 3.15Å; G202-I205 PolarHBondContact O-N 3.49Å; K203-I205 PolarHBondContact O-N 3.42Å; I205-P207 VanDerWaalsContact O-CD 3.3Å; I205-P207 WeakPolarHBondContact O-CD 3.41Å; I205-I230 HydrophobicContact CG2-CG2 3.98Å; I205-Q231 HydrophobicContact CB-CG 4.13Å; I205-Q231 VanDerWaalsContact O-CG 3.3Å; I205-Q231 WeakPolarHBondContact O-CG 3.29Å; I205-Q231 PolarHBondContact O-NE2 3.48Å
206	I	98.8	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	91.6	-172.2	-53.8	166.8	0	0	0	109	V196 I197 T204 L208 F288 M315 I316 A319	V196-I206 WeakPolarHBondContact CA-O 3.2Å; I197-I206 HydrophobicContact CD1-CG2 4.39Å; I197-I206 HydrophobicContact CG1-CB 3.74Å; I197-I206 HydrophobicContact CG1-CD1 4.3Å; I197-I206 HydrophobicContact CG1-CG2 3.92Å; I197-I206 PolarHBondContact N-O 3.17Å; I197-I206 PolarHBondContact O-N 3Å; T204-I206 PolarHBondContact O-N 3.27Å; I206-L208 HydrophobicContact CG2-CD2 3.98Å; I206-L208 PolarHBondContact O-N 3.29Å; I206-F288 HydrophobicContact CD1-CZ 4.45Å; I206-M315 HydrophobicContact CG1-CB 4.29Å; I206-M315 HydrophobicContact CG2-CB 3.93Å; I206-M315 HydrophobicContact CG2-CE 3.9Å; I206-M315 HydrophobicContact CG2-SD 4.37Å; I206-I316 HydrophobicContact CD1-CB 4.4Å; I206-I316 HydrophobicContact CD1-CG1 3.89Å; I206-I316 HydrophobicContact CG2-CG1 4.43Å; I206-A319 HydrophobicContact CD1-CB 3.82Å; I206-A319 HydrophobicContact CG1-CB 4.43Å
207	P	98.8	Very high	98	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	117.5	175.7	29.3	-32.8	0	0	0	110.5	V194 V196 I205 I209 T227 I230	V194-P207 HydrophobicContact CG1-CB 4.31Å; V196-P207 HydrophobicContact CG2-CB 4.18Å; I205-P207 VanDerWaalsContact O-CD 3.3Å; I205-P207 WeakPolarHBondContact O-CD 3.41Å; P207-I209 VanDerWaalsContact C-N 3.26Å; P207-I209 HydrophobicContact CB-CD1 3.99Å; P207-I209 HydrophobicContact CB-CG1 4.42Å; P207-I209 PolarHBondContact O-N 3.35Å; P207-T227 HydrophobicContact CG-CG2 3.95Å; P207-I230 HydrophobicContact CB-CD1 3.71Å; P207-I230 HydrophobicContact CB-CG2 4.28Å; P207-I230 HydrophobicContact CG-CB 4.27Å; P207-I230 HydrophobicContact CG-CD1 3.78Å; P207-I230 HydrophobicContact CG-CG2 4.15Å
208	L	98.8	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.			trans	-83.5	71.3	177.5	-57.5	-174.3	0	0	0	110.1	P195 I197 I206 S210 Q211 V308 E312	P195-L208 HydrophobicContact CB-CB 4.35Å; P195-L208 HydrophobicContact CB-CD1 4.44Å; P195-L208 WeakPolarHBondContact O-CB 3.38Å; P195-L208 PolarHBondContact O-N 2.93Å; I197-L208 HydrophobicContact CD1-CD1 3.98Å; I197-L208 HydrophobicContact CD1-CD2 3.93Å; I197-L208 HydrophobicContact CD1-CG 4.23Å; I197-L208 HydrophobicContact CG1-CD1 4.18Å; I197-L208 HydrophobicContact CG1-CD2 4.06Å; I197-L208 HydrophobicContact CG1-CG 4.1Å; I197-L208 HydrophobicContact CG2-CD1 3.7Å; I197-L208 HydrophobicContact CG2-CG 4.18Å; I206-L208 HydrophobicContact CG2-CD2 3.98Å; I206-L208 PolarHBondContact O-N 3.29Å; L208-S210 PolarHBondContact O-N 2.82Å; L208-Q211 HydrophobicContact CB-CB 4.19Å; L208-Q211 HydrophobicContact CB-CG 4.19Å; L208-Q211 PolarHBondContact O-N 2.99Å; L208-V308 HydrophobicContact CD1-CG1 4.12Å; L208-V308 HydrophobicContact CD2-CG1 3.89Å; L208-E312 VanDerWaalsContact C-OE1 3.25Å; L208-E312 WeakPolarHBondContact CA-OE1 3.5Å; L208-E312 HydrophobicContact CD2-CB 3.97Å; L208-E312 HydrophobicContact CD2-CG 3.89Å
209	I	98.7	Very high	97.9	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.041	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-59	-30.3	179.9	-51.6	-60.7	0	0	0	110.7	V181 V194 P207 Q211 C212 V216 F218 L223 L226 I230 E312	V181-I209 HydrophobicContact CG2-CD1 3.93Å; V194-I209 HydrophobicContact CG1-CD1 3.82Å; V194-I209 HydrophobicContact CG2-CD1 4.48Å; P207-I209 VanDerWaalsContact C-N 3.26Å; P207-I209 HydrophobicContact CB-CD1 3.99Å; P207-I209 HydrophobicContact CB-CG1 4.42Å; P207-I209 PolarHBondContact O-N 3.35Å; I209-Q211 PolarHBondContact O-N 3.29Å; I209-C212 WeakPolarHBondContact O-CB 3.28Å; I209-C212 PolarHBondContact O-N 3.21Å; I209-C212 VanDerWaalsContact O-N 3.09Å; I209-V216 HydrophobicContact CG2-CG2 3.82Å; I209-F218 HydrophobicContact CG2-CD2 3.96Å; I209-F218 HydrophobicContact CG2-CE2 4.25Å; I209-L223 HydrophobicContact CB-CD1 3.69Å; I209-L223 HydrophobicContact CG1-CD1 3.68Å; I209-L223 HydrophobicContact CG2-CD1 3.85Å; I209-L226 HydrophobicContact CD1-CD2 3.91Å; I209-L226 HydrophobicContact CG1-CD2 4.33Å; I209-I230 HydrophobicContact CD1-CD1 4.22Å; I209-E312 PolarHBondContact N-OE1 3.03Å; I209-E312 VanDerWaalsContact N-OE1 3.09Å
210	S	98.5	Very high	97.9	Very high	60 Å²	60	45.1 Å²	45.1	42%	0.42	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-62.8	-19.7	175.4	73.9	0	0	0	0	113.9	L208 E312	L208-S210 PolarHBondContact O-N 2.82Å; S210-E312 WeakPolarHBondContact CB-OE1 3.43Å; S210-E312 VanDerWaalsContact CB-OE2 3.31Å; S210-E312 WeakPolarHBondContact CB-OE2 3.47Å; S210-E312 PolarHBondContact N-OE1 2.98Å; S210-E312 PolarHBondContact OG-OE1 3.43Å; S210-E312 PolarHBondContact OG-OE2 3Å
211	Q	98.6	Very high	97.9	Very high	52 Å²	52	49.3 Å²	49.3	24%	0.243	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-105.1	9.4	178.4	-59.7	-175.3	11.8	0	0	113	P195 L208 I209 T213 I305 K307	P195-Q211 HydrophobicContact CG-CB 4.01Å; L208-Q211 HydrophobicContact CB-CB 4.19Å; L208-Q211 HydrophobicContact CB-CG 4.19Å; L208-Q211 PolarHBondContact O-N 2.99Å; I209-Q211 PolarHBondContact O-N 3.29Å; Q211-T213 PolarHBondContact O-N 2.84Å; Q211-I305 PolarHBondContact NE2-O 3.48Å; Q211-K307 PolarHBondContact NE2-O 2.94Å
212	C	98.7	Very high	98	Very high	7 Å²	7	51.8 Å²	51.8	5%	0.047	28%	0.277	C	S	.	.			trans	-59.1	138.5	178.8	-179.9	0	0	0	0	111.7	N193 V194 I209 P214 K215 V216	N193-C212 CarbonylContact O-C 3.58Å; N193-C212 WeakPolarHBondContact O-CA 3.48Å; V194-C212 HydrophobicContact CG2-CB 4.06Å; I209-C212 WeakPolarHBondContact O-CB 3.28Å; I209-C212 PolarHBondContact O-N 3.21Å; I209-C212 VanDerWaalsContact O-N 3.09Å; C212-P214 CarbonylContact C-O 3.59Å; C212-P214 VanDerWaalsContact C-O 3.31Å; C212-P214 CarbonylContact O-C 3.53Å; C212-P214 VanDerWaalsContact O-C 3.24Å; C212-P214 VanDerWaalsContact O-O 3.09Å; C212-P214 PolarHBondContact SG-O 3.02Å; C212-K215 WeakPolarHBondContact O-CA 3.45Å; C212-K215 PolarHBondContact O-N 2.98Å; C212-V216 HydrophobicContact CB-CG2 3.8Å
213	T	98.4	Very high	98.2	Very high	92 Å²	92	51.9 Å²	51.9	56%	0.564	27%	0.272	S	S	*	.	B	Isolated β-bridge	trans	-116.2	124.7	169.3	-59.2	0	0	0	0	109.6	V192 N193 Q211	V192-T213 CarbonylContact C-O 3.54Å; V192-T213 WeakPolarHBondContact CA-O 3.36Å; N193-T213 PolarHBondContact N-O 2.83Å; N193-T213 PolarHBondContact O-N 3.26Å; Q211-T213 PolarHBondContact O-N 2.84Å
214	P	98.4	Very high	98.2	Very high	57 Å²	57	50.6 Å²	50.6	37%	0.37	27%	0.272	S	S	.	.	S	Bend	cis	-62.2	160.7	-8.1	31	-37.3	0	0	0	111.3	L187 R191 C212 V216	L187-P214 HydrophobicContact CD1-CG 3.92Å; R191-P214 VanDerWaalsContact O-CD 3.24Å; R191-P214 WeakPolarHBondContact O-CD 3.45Å; C212-P214 CarbonylContact C-O 3.59Å; C212-P214 VanDerWaalsContact C-O 3.31Å; C212-P214 CarbonylContact O-C 3.53Å; C212-P214 VanDerWaalsContact O-C 3.24Å; C212-P214 VanDerWaalsContact O-O 3.09Å; C212-P214 PolarHBondContact SG-O 3.02Å; P214-V216 PolarHBondContact O-N 2.74Å
215	K	98.2	Very high	98.2	Very high	162 Å²	162	53.8 Å²	53.8	70%	0.704	30%	0.298	S	S	*	.			trans	-57.7	133.9	176.8	-177.6	177.8	175.2	-178.9	0	109.9	C212 D217	C212-K215 WeakPolarHBondContact O-CA 3.45Å; C212-K215 PolarHBondContact O-N 2.98Å; K215-D217 VanDerWaalsContact CE-OD1 3.32Å; K215-D217 WeakPolarHBondContact CE-OD1 3.36Å; K215-D217 IonicContact NZ-OD1 3.79Å
216	V	98	Very high	98.2	Very high	16 Å²	16	53.7 Å²	53.7	10%	0.097	30%	0.297	C	S	.	.			trans	-126	139.6	175.1	-61.7	0	0	0	0	109.7	V181 K185 L187 I209 C212 P214 F218	V181-V216 HydrophobicContact CG1-CG1 3.96Å; V181-V216 HydrophobicContact CG1-CG2 4.13Å; K185-V216 HydrophobicContact CG-CB 4.29Å; K185-V216 HydrophobicContact CG-CG1 3.97Å; L187-V216 HydrophobicContact CD1-CG1 4.19Å; I209-V216 HydrophobicContact CG2-CG2 3.82Å; C212-V216 HydrophobicContact CB-CG2 3.8Å; P214-V216 PolarHBondContact O-N 2.74Å; V216-F218 HydrophobicContact CB-CD2 4.46Å; V216-F218 HydrophobicContact CB-CE2 4.12Å; V216-F218 HydrophobicContact CG2-CD2 4.03Å; V216-F218 HydrophobicContact CG2-CE2 3.72Å
217	D	97.1	Very high	98.2	Very high	115 Å²	115	53.9 Å²	53.9	62%	0.615	30%	0.299	S	S	*	.			trans	-114.1	121.5	175	-62.5	-56.4	0	0	0	109	K185 K215	K185-D217 VanDerWaalsContact CE-O 3.29Å; K185-D217 WeakPolarHBondContact CE-O 3.45Å; K185-D217 PolarHBondContact NZ-O 2.75Å; K215-D217 VanDerWaalsContact CE-OD1 3.32Å; K215-D217 WeakPolarHBondContact CE-OD1 3.36Å; K215-D217 IonicContact NZ-OD1 3.79Å
218	F	97.8	Very high	98.1	Very high	29 Å²	29	55.2 Å²	55.2	13%	0.127	31%	0.312	C	S	.	.			trans	-115.3	141.8	176	-76.2	-78.3	0	0	0	110.2	V181 L184 K185 I209 V216 Q222 L223 L226	V181-F218 HydrophobicContact CG1-CE2 4.42Å; V181-F218 HydrophobicContact CG2-CE2 4.41Å; L184-F218 HydrophobicContact CB-CE1 3.71Å; L184-F218 HydrophobicContact CB-CZ 3.84Å; L184-F218 HydrophobicContact CD1-CE1 3.94Å; L184-F218 HydrophobicContact CD1-CZ 4.12Å; L184-F218 HydrophobicContact CG-CE1 4.46Å; K185-F218 HydrophobicContact CD-CE1 4.01Å; K185-F218 HydrophobicContact CD-CZ 3.94Å; K185-F218 VanDerWaalsContact CE-CE1 3.44Å; K185-F218 VanDerWaalsContact CE-CZ 3.48Å; K185-F218 HydrophobicContact CG-CE1 4.19Å; K185-F218 HydrophobicContact CG-CE2 4.23Å; K185-F218 HydrophobicContact CG-CZ 3.63Å; I209-F218 HydrophobicContact CG2-CD2 3.96Å; I209-F218 HydrophobicContact CG2-CE2 4.25Å; V216-F218 HydrophobicContact CB-CD2 4.46Å; V216-F218 HydrophobicContact CB-CE2 4.12Å; V216-F218 HydrophobicContact CG2-CD2 4.03Å; V216-F218 HydrophobicContact CG2-CE2 3.72Å; F218-Q222 HydrophobicContact CD1-CB 4.14Å; F218-L223 HydrophobicContact CB-CB 4.05Å; F218-L226 HydrophobicContact CD2-CD2 4.28Å; F218-L226 HydrophobicContact CE2-CD2 3.85Å; F218-L226 HydrophobicContact CZ-CD2 4.09Å
219	P	97.5	Very high	98.1	Very high	64 Å²	64	59.3 Å²	59.3	42%	0.416	33%	0.328	S	S	.	.			trans	-63.6	151.9	166	30.9	-34.4	0	0	0	109.6	D221 Q222 L223	P219-D221 VanDerWaalsContact C-N 3.25Å; P219-D221 VanDerWaalsContact CB-OD1 3.29Å; P219-D221 WeakPolarHBondContact CB-OD1 3.45Å; P219-D221 WeakPolarHBondContact CG-OD1 3.19Å; P219-D221 PolarHBondContact O-N 3.44Å; P219-Q222 HydrophobicContact CG-CB 3.95Å; P219-Q222 HydrophobicContact CG-CG 3.78Å; P219-Q222 PolarHBondContact O-N 3.17Å; P219-Q222 VanDerWaalsContact O-N 3.11Å; P219-L223 PolarHBondContact O-N 2.83Å
220	Q	97.4	Very high	98.1	Very high	106 Å²	106	59 Å²	59	50%	0.495	33%	0.326	S	S	.	.	H	α-helix	trans	-57.7	-35.6	-168.2	-178	61.1	40.8	0	0	113.5	T224	Q220-T224 PolarHBondContact NE2-OG1 3.08Å; Q220-T224 WeakPolarHBondContact O-CB 3.27Å; Q220-T224 PolarHBondContact O-N 3.45Å; Q220-T224 PolarHBondContact O-OG1 2.98Å
221	D	97.6	Very high	98	Very high	111 Å²	111	57.9 Å²	57.9	59%	0.594	32%	0.315	S	S	*	.	H	α-helix	trans	-64.6	-48.2	177	63.1	-36.1	0	0	0	111.8	P219 T224 A225	P219-D221 VanDerWaalsContact C-N 3.25Å; P219-D221 VanDerWaalsContact CB-OD1 3.29Å; P219-D221 WeakPolarHBondContact CB-OD1 3.45Å; P219-D221 WeakPolarHBondContact CG-OD1 3.19Å; P219-D221 PolarHBondContact O-N 3.44Å; D221-T224 PolarHBondContact O-N 3.32Å; D221-A225 WeakPolarHBondContact O-CB 3.39Å; D221-A225 PolarHBondContact O-N 3.38Å
222	Q	97.8	Very high	97.9	Very high	85 Å²	85	59.5 Å²	59.5	40%	0.397	32%	0.322	S	S	.	.	H	α-helix	trans	-67.4	-38.8	176	-67.9	-175.9	21.7	0	0	112	F218 P219 T224 A225 L226	F218-Q222 HydrophobicContact CD1-CB 4.14Å; P219-Q222 HydrophobicContact CG-CB 3.95Å; P219-Q222 HydrophobicContact CG-CG 3.78Å; P219-Q222 PolarHBondContact O-N 3.17Å; P219-Q222 VanDerWaalsContact O-N 3.11Å; Q222-T224 VanDerWaalsContact C-N 3.34Å; Q222-A225 PolarHBondContact O-N 2.75Å; Q222-L226 VanDerWaalsContact O-CB 3.22Å; Q222-L226 WeakPolarHBondContact O-CB 3.31Å; Q222-L226 PolarHBondContact O-N 2.97Å
223	L	98	Very high	97.7	Very high	25 Å²	25	59.3 Å²	59.3	13%	0.131	32%	0.321	C	S	.	.	H	α-helix	trans	-59.4	-47.6	175.2	178.9	61	0	0	0	110.6	I209 F218 P219 L226 T227 F311	I209-L223 HydrophobicContact CB-CD1 3.69Å; I209-L223 HydrophobicContact CG1-CD1 3.68Å; I209-L223 HydrophobicContact CG2-CD1 3.85Å; F218-L223 HydrophobicContact CB-CB 4.05Å; P219-L223 PolarHBondContact O-N 2.83Å; L223-L226 PolarHBondContact O-N 2.89Å; L223-T227 PolarHBondContact O-N 2.85Å; L223-T227 PolarHBondContact O-OG1 2.63Å; L223-T227 VanDerWaalsContact O-OG1 3.06Å; L223-F311 HydrophobicContact CD2-CD1 4.1Å; L223-F311 HydrophobicContact CD2-CE1 4.42Å; L223-F311 HydrophobicContact CG-CD1 4.41Å; L223-F311 HydrophobicContact CG-CE1 4.24Å
224	T	97.9	Very high	97.3	Very high	66 Å²	66	56.3 Å²	56.3	41%	0.405	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-44	179.2	-54.4	0	0	0	0	111.3	Q220 D221 Q222 T227 G228	Q220-T224 PolarHBondContact NE2-OG1 3.08Å; Q220-T224 WeakPolarHBondContact O-CB 3.27Å; Q220-T224 PolarHBondContact O-N 3.45Å; Q220-T224 PolarHBondContact O-OG1 2.98Å; D221-T224 PolarHBondContact O-N 3.32Å; Q222-T224 VanDerWaalsContact C-N 3.34Å; T224-T227 PolarHBondContact O-N 2.9Å; T224-G228 PolarHBondContact O-N 2.81Å
225	A	98.3	Very high	96.9	Very high	67 Å²	67	56.3 Å²	56.3	55%	0.554	31%	0.307	S	S	*	.	H	α-helix	trans	-64.3	-42	176.9	0	0	0	0	0	112.5	D221 Q222 G228 R229	D221-A225 WeakPolarHBondContact O-CB 3.39Å; D221-A225 PolarHBondContact O-N 3.38Å; Q222-A225 PolarHBondContact O-N 2.75Å; A225-G228 PolarHBondContact O-N 2.82Å; A225-R229 PolarHBondContact O-N 3.01Å
226	L	98.6	Very high	96.6	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-48.9	176.1	171.5	61.2	0	0	0	111.3	F180 V181 L184 I209 F218 Q222 L223 G228 R229 I230	F180-L226 HydrophobicContact CB-CD1 3.57Å; V181-L226 HydrophobicContact CG2-CD2 3.73Å; L184-L226 HydrophobicContact CD1-CB 4.23Å; L184-L226 HydrophobicContact CD1-CD1 3.92Å; L184-L226 HydrophobicContact CD1-CD2 4.25Å; L184-L226 HydrophobicContact CD1-CG 4.35Å; I209-L226 HydrophobicContact CD1-CD2 3.91Å; I209-L226 HydrophobicContact CG1-CD2 4.33Å; F218-L226 HydrophobicContact CD2-CD2 4.28Å; F218-L226 HydrophobicContact CE2-CD2 3.85Å; F218-L226 HydrophobicContact CZ-CD2 4.09Å; Q222-L226 VanDerWaalsContact O-CB 3.22Å; Q222-L226 WeakPolarHBondContact O-CB 3.31Å; Q222-L226 PolarHBondContact O-N 2.97Å; L223-L226 PolarHBondContact O-N 2.89Å; L226-G228 VanDerWaalsContact C-N 3.32Å; L226-G228 PolarHBondContact O-N 3.41Å; L226-R229 PolarHBondContact O-N 2.88Å; L226-I230 HydrophobicContact CD1-CD1 3.91Å; L226-I230 HydrophobicContact CD1-CG1 4.22Å; L226-I230 HydrophobicContact CG-CD1 4.01Å; L226-I230 WeakPolarHBondContact O-CG1 3.48Å; L226-I230 PolarHBondContact O-N 3.39Å
227	T	98.6	Very high	96.3	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-57	-47.1	175.8	-62.1	0	0	0	0	110.8	P207 L223 T224 R229 I230 Q231 F311 M315	P207-T227 HydrophobicContact CG-CG2 3.95Å; L223-T227 PolarHBondContact O-N 2.85Å; L223-T227 PolarHBondContact O-OG1 2.63Å; L223-T227 VanDerWaalsContact O-OG1 3.06Å; T224-T227 PolarHBondContact O-N 2.9Å; T227-R229 PolarHBondContact O-N 3.28Å; T227-I230 PolarHBondContact O-N 3.31Å; T227-Q231 WeakPolarHBondContact O-CG 3.27Å; T227-Q231 PolarHBondContact O-N 2.87Å; T227-F311 HydrophobicContact CG2-CE1 4.39Å; T227-F311 HydrophobicContact CG2-CZ 4.5Å; T227-M315 HydrophobicContact CG2-CE 4.27Å; T227-M315 HydrophobicContact CG2-SD 3.43Å; T227-M315 WeakPolarHBondContact CG2-SD 3.43Å
228	G	98.1	Very high	95.9	Very high	28 Å²	28	50.3 Å²	50.3	29%	0.289	28%	0.283	S	S	.	.	H	α-helix	trans	-59.3	-43.4	176.9	0	0	0	0	0	113	T224 A225 L226 I230 Q231 E232	T224-G228 PolarHBondContact O-N 2.81Å; A225-G228 PolarHBondContact O-N 2.82Å; L226-G228 VanDerWaalsContact C-N 3.32Å; L226-G228 PolarHBondContact O-N 3.41Å; G228-I230 PolarHBondContact O-N 3.16Å; G228-Q231 PolarHBondContact O-N 2.83Å; G228-E232 WeakPolarHBondContact O-CB 3.41Å; G228-E232 PolarHBondContact O-N 2.9Å
229	R	98.3	Very high	95.6	Very high	87 Å²	87	56.4 Å²	56.4	33%	0.328	31%	0.309	S	S	.	.	H	α-helix	trans	-61.8	-42	175.5	-170.8	-177.8	178.3	-155.5	-4	111.7	F180 E183 A225 L226 T227 E232 A233	F180-R229 HydrophobicContact CD2-CG 4.09Å; F180-R229 HydrophobicContact CE2-CG 3.86Å; F180-R229 HydrophobicContact CZ-CG 4.4Å; E183-R229 IonicContact OE2-CZ 3.79Å; E183-R229 IonicContact OE2-NH1 3.07Å; E183-R229 PolarHBondContact OE2-NH1 2.87Å; E183-R229 IonicContact OE2-NH2 3.54Å; A225-R229 PolarHBondContact O-N 3.01Å; L226-R229 PolarHBondContact O-N 2.88Å; T227-R229 PolarHBondContact O-N 3.28Å; R229-E232 PolarHBondContact O-N 2.98Å; R229-A233 WeakPolarHBondContact O-CA 3.49Å; R229-A233 VanDerWaalsContact O-CB 3.28Å; R229-A233 WeakPolarHBondContact O-CB 3.45Å; R229-A233 PolarHBondContact O-N 3.48Å
230	I	98.3	Very high	95.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.6	-45.3	176.9	-67.4	165.3	0	0	0	110.6	A177 F180 I205 P207 I209 L226 T227 G228	A177-I230 HydrophobicContact CB-CD1 3.76Å; A177-I230 HydrophobicContact CB-CG1 4.33Å; A177-I230 HydrophobicContact CB-CG2 4.5Å; F180-I230 HydrophobicContact CD2-CG1 3.77Å; F180-I230 HydrophobicContact CE2-CG1 4.39Å; I205-I230 HydrophobicContact CG2-CG2 3.98Å; P207-I230 HydrophobicContact CB-CD1 3.71Å; P207-I230 HydrophobicContact CB-CG2 4.28Å; P207-I230 HydrophobicContact CG-CB 4.27Å; P207-I230 HydrophobicContact CG-CD1 3.78Å; P207-I230 HydrophobicContact CG-CG2 4.15Å; I209-I230 HydrophobicContact CD1-CD1 4.22Å; L226-I230 HydrophobicContact CD1-CD1 3.91Å; L226-I230 HydrophobicContact CD1-CG1 4.22Å; L226-I230 HydrophobicContact CG-CD1 4.01Å; L226-I230 WeakPolarHBondContact O-CG1 3.48Å; L226-I230 PolarHBondContact O-N 3.39Å; T227-I230 PolarHBondContact O-N 3.31Å; G228-I230 PolarHBondContact O-N 3.16Å
231	Q	97.4	Very high	95.2	Very high	38 Å²	38	56.1 Å²	56.1	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-38	179.2	-70.1	176.9	-19.9	0	0	112.7	G202 I205 T227 G228	G202-Q231 WeakPolarHBondContact O-CG 3.44Å; I205-Q231 HydrophobicContact CB-CG 4.13Å; I205-Q231 VanDerWaalsContact O-CG 3.3Å; I205-Q231 WeakPolarHBondContact O-CG 3.29Å; I205-Q231 PolarHBondContact O-NE2 3.48Å; T227-Q231 WeakPolarHBondContact O-CG 3.27Å; T227-Q231 PolarHBondContact O-N 2.87Å; G228-Q231 PolarHBondContact O-N 2.83Å
232	E	95.1	Very high	94.8	Very high	85 Å²	85	55.3 Å²	55.3	40%	0.397	33%	0.325	S	S	.	.	H	α-helix	trans	-98.1	-2.3	-175.3	-69	-57.7	139.9	0	0	114.9	G228 R229 G234 T235 E236	G228-E232 WeakPolarHBondContact O-CB 3.41Å; G228-E232 PolarHBondContact O-N 2.9Å; R229-E232 PolarHBondContact O-N 2.98Å; E232-G234 PolarHBondContact O-N 3.15Å; E232-T235 CarbonylContact O-C 3.59Å; E232-T235 WeakPolarHBondContact O-CA 3.39Å; E232-T235 VanDerWaalsContact O-CB 3.29Å; E232-T235 WeakPolarHBondContact O-CB 3.3Å; E232-T235 PolarHBondContact O-N 3.28Å; E232-T235 WeakPolarHBondContact OE2-CB 3.26Å; E232-T235 PolarHBondContact OE2-OG1 2.75Å; E232-E236 PolarHBondContact O-N 2.82Å
233	A	95	Very high	94.1	Very high	3 Å²	3	52.5 Å²	52.5	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-55.9	-29.6	-177.8	0	0	0	0	0	113.7	R176 F180 R229 V237	R176-A233 HydrophobicContact CG-CB 4.32Å; F180-A233 HydrophobicContact CE2-CB 3.98Å; F180-A233 HydrophobicContact CZ-CB 4.11Å; R229-A233 WeakPolarHBondContact O-CA 3.49Å; R229-A233 VanDerWaalsContact O-CB 3.28Å; R229-A233 WeakPolarHBondContact O-CB 3.45Å; R229-A233 PolarHBondContact O-N 3.48Å; A233-V237 WeakPolarHBondContact O-CG2 3.5Å; A233-V237 PolarHBondContact O-N 3.47Å
234	G	89.9	Confident	93.6	Very high	29 Å²	29	55.7 Å²	55.7	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-63	-47.8	171.1	0	0	0	0	0	112.5	E232 V237 V238	E232-G234 PolarHBondContact O-N 3.15Å; G234-V237 PolarHBondContact O-N 3.28Å; G234-V238 WeakPolarHBondContact O-CG2 3.46Å; G234-V238 PolarHBondContact O-N 2.78Å
235	T	89.1	Confident	93.1	Very high	57 Å²	57	53.2 Å²	53.2	35%	0.35	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-40.9	176.6	-51.7	0	0	0	0	111.3	E232 V237 V238 K239	E232-T235 CarbonylContact O-C 3.59Å; E232-T235 WeakPolarHBondContact O-CA 3.39Å; E232-T235 VanDerWaalsContact O-CB 3.29Å; E232-T235 WeakPolarHBondContact O-CB 3.3Å; E232-T235 PolarHBondContact O-N 3.28Å; E232-T235 WeakPolarHBondContact OE2-CB 3.26Å; E232-T235 PolarHBondContact OE2-OG1 2.75Å; T235-V237 PolarHBondContact O-N 3.03Å; T235-V238 PolarHBondContact O-N 3.37Å; T235-K239 HydrophobicContact CG2-CD 4.31Å; T235-K239 WeakPolarHBondContact O-CG 3.46Å; T235-K239 PolarHBondContact O-N 3.41Å
236	E	92.3	Very high	92.6	Very high	81 Å²	81	52 Å²	52	38%	0.379	32%	0.324	S	S	.	.	H	α-helix	trans	-57.9	-46.5	176.5	-69.1	-178.5	174	0	0	111.9	E232 V238 K239 A240	E232-E236 PolarHBondContact O-N 2.82Å; E236-V238 PolarHBondContact O-N 2.87Å; E236-K239 PolarHBondContact O-N 3.36Å; E236-A240 WeakPolarHBondContact O-CB 3.21Å; E236-A240 PolarHBondContact O-N 3.42Å
237	V	92.6	Very high	92.3	Very high	42 Å²	42	52.2 Å²	52.2	26%	0.255	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-39.6	177.9	174.3	0	0	0	0	111.8	A233 G234 T235 K239 A240 K241 A247	A233-V237 WeakPolarHBondContact O-CG2 3.5Å; A233-V237 PolarHBondContact O-N 3.47Å; G234-V237 PolarHBondContact O-N 3.28Å; T235-V237 PolarHBondContact O-N 3.03Å; V237-K239 VanDerWaalsContact C-N 3.33Å; V237-K239 PolarHBondContact O-N 3.28Å; V237-A240 PolarHBondContact O-N 2.65Å; V237-K241 HydrophobicContact CG1-CD 4.22Å; V237-K241 HydrophobicContact CG1-CG 4.4Å; V237-K241 WeakPolarHBondContact O-CB 3.35Å; V237-K241 WeakPolarHBondContact O-CG 3.44Å; V237-K241 PolarHBondContact O-N 3.26Å; V237-A247 HydrophobicContact CG1-CB 4.13Å
238	V	88.6	Confident	92.3	Very high	44 Å²	44	53.6 Å²	53.6	27%	0.267	34%	0.335	S	S	.	.	H	α-helix	trans	-62.8	-41.9	176.6	172.5	0	0	0	0	111.1	G234 T235 E236 K241 A242 G243	G234-V238 WeakPolarHBondContact O-CG2 3.46Å; G234-V238 PolarHBondContact O-N 2.78Å; T235-V238 PolarHBondContact O-N 3.37Å; E236-V238 PolarHBondContact O-N 2.87Å; V238-K241 PolarHBondContact O-N 3.13Å; V238-A242 PolarHBondContact O-N 2.84Å; V238-G243 PolarHBondContact O-N 3.34Å; V238-G243 VanDerWaalsContact O-N 3.12Å
239	K	91.1	Very high	92.3	Very high	158 Å²	158	58.3 Å²	58.3	69%	0.687	35%	0.353	S	S	*	.	H	α-helix	trans	-63.6	-47.5	174.8	-72.6	173	177.8	173.2	0	111.2	T235 E236 V237 K241 A242	T235-K239 HydrophobicContact CG2-CD 4.31Å; T235-K239 WeakPolarHBondContact O-CG 3.46Å; T235-K239 PolarHBondContact O-N 3.41Å; E236-K239 PolarHBondContact O-N 3.36Å; V237-K239 VanDerWaalsContact C-N 3.33Å; V237-K239 PolarHBondContact O-N 3.28Å; K239-K241 VanDerWaalsContact C-N 3.25Å; K239-K241 PolarHBondContact O-N 3.26Å; K239-A242 PolarHBondContact O-N 3.22Å
240	A	94	Very high	92.3	Very high	88 Å²	88	56.5 Å²	56.5	73%	0.727	35%	0.354	S	S	*	.	H	α-helix	trans	-62.6	-31.2	178.6	0	0	0	0	0	112.9	E236 V237 A242	E236-A240 WeakPolarHBondContact O-CB 3.21Å; E236-A240 PolarHBondContact O-N 3.42Å; V237-A240 PolarHBondContact O-N 2.65Å; A240-A242 VanDerWaalsContact C-N 3.26Å; A240-A242 PolarHBondContact O-N 3.46Å
241	K	92.1	Very high	92.3	Very high	75 Å²	75	56.9 Å²	56.9	33%	0.326	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	6.2	172.7	-72.1	-170.6	172.2	-167	0	114.1	V237 V238 K239 G243 A244 S246 T248	V237-K241 HydrophobicContact CG1-CD 4.22Å; V237-K241 HydrophobicContact CG1-CG 4.4Å; V237-K241 WeakPolarHBondContact O-CB 3.35Å; V237-K241 WeakPolarHBondContact O-CG 3.44Å; V237-K241 PolarHBondContact O-N 3.26Å; V238-K241 PolarHBondContact O-N 3.13Å; K239-K241 VanDerWaalsContact C-N 3.25Å; K239-K241 PolarHBondContact O-N 3.26Å; K241-G243 PolarHBondContact O-N 3.36Å; K241-G243 VanDerWaalsContact O-N 3.09Å; K241-A244 VanDerWaalsContact O-CB 3.27Å; K241-A244 WeakPolarHBondContact O-CB 3.29Å; K241-A244 PolarHBondContact O-N 3.44Å; K241-S246 WeakPolarHBondContact CE-O 3.43Å; K241-S246 PolarHBondContact NZ-O 3.49Å; K241-T248 PolarHBondContact NZ-OG1 2.61Å; K241-T248 VanDerWaalsContact NZ-OG1 3.07Å
242	A	89.8	Confident	92.3	Very high	95 Å²	95	55 Å²	55	79%	0.785	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	36.4	-178.6	0	0	0	0	0	113.7	V238 K239 A240 A244	V238-A242 PolarHBondContact O-N 2.84Å; K239-A242 PolarHBondContact O-N 3.22Å; A240-A242 VanDerWaalsContact C-N 3.26Å; A240-A242 PolarHBondContact O-N 3.46Å; A242-A244 VanDerWaalsContact C-N 3.32Å; A242-A244 PolarHBondContact O-N 3.31Å
243	G	83.4	Confident	92.5	Very high	26 Å²	26	57.2 Å²	57.2	27%	0.268	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	1.2	-179.3	0	0	0	0	0	115.9	V238 K241 G245	V238-G243 PolarHBondContact O-N 3.34Å; V238-G243 VanDerWaalsContact O-N 3.12Å; K241-G243 PolarHBondContact O-N 3.36Å; K241-G243 VanDerWaalsContact O-N 3.09Å; G243-G245 PolarHBondContact O-N 3.43Å
244	A	87.4	Confident	92.7	Very high	91 Å²	91	57 Å²	57	75%	0.752	35%	0.351	S	S	*	.	S	Bend	trans	-74.8	32.2	175.9	0	0	0	0	0	113.8	K241 A242	K241-A244 VanDerWaalsContact O-CB 3.27Å; K241-A244 WeakPolarHBondContact O-CB 3.29Å; K241-A244 PolarHBondContact O-N 3.44Å; A242-A244 VanDerWaalsContact C-N 3.32Å; A242-A244 PolarHBondContact O-N 3.31Å
245	G	86.1	Confident	93.1	Very high	15 Å²	15	55.7 Å²	55.7	16%	0.155	34%	0.337	C	S	.	.			trans	108.7	-170.6	-177.4	0	0	0	0	0	113.9	G243	G243-G245 PolarHBondContact O-N 3.43Å
246	S	88.7	Confident	93.6	Very high	41 Å²	41	53.1 Å²	53.1	29%	0.287	32%	0.322	S	S	.	.	S	Bend	trans	-115.9	-166.7	-176.3	60	0	0	0	0	111.6	K241 T248	K241-S246 WeakPolarHBondContact CE-O 3.43Å; K241-S246 PolarHBondContact NZ-O 3.49Å; S246-T248 PolarHBondContact O-N 2.85Å
247	A	93.4	Very high	93.9	Very high	10 Å²	10	51.8 Å²	51.8	8%	0.083	31%	0.313	C	S	.	.			trans	-58.3	122.1	174.4	0	0	0	0	0	111.1	L172 V237	L172-A247 HydrophobicContact CD2-CB 4.16Å; V237-A247 HydrophobicContact CG1-CB 4.13Å
248	T	96.9	Very high	94.2	Very high	33 Å²	33	49.8 Å²	49.8	20%	0.202	30%	0.301	C	S	.	.			trans	-115.9	-62.1	-178.6	46.1	0	0	0	0	110.8	G35 I36 K241 S246 M251 A252	G35-T248 VanDerWaalsContact O-CB 3.29Å; G35-T248 WeakPolarHBondContact O-CB 3.47Å; I36-T248 HydrophobicContact CG1-CG2 4.41Å; K241-T248 PolarHBondContact NZ-OG1 2.61Å; K241-T248 VanDerWaalsContact NZ-OG1 3.07Å; S246-T248 PolarHBondContact O-N 2.85Å; T248-M251 PolarHBondContact O-N 3.32Å; T248-A252 PolarHBondContact O-N 3.32Å
249	L	98.3	Very high	94.7	Very high	127 Å²	127	47.8 Å²	47.8	67%	0.665	29%	0.289	S	S	*	.	H	α-helix	trans	-64.1	-48.1	-176.7	-56.9	178	0	0	0	112.8	P39 M251 A252 Y253	P39-L249 HydrophobicContact CB-CD2 4.01Å; P39-L249 HydrophobicContact CG-CD2 4.13Å; L249-M251 VanDerWaalsContact C-N 3.28Å; L249-M251 PolarHBondContact O-N 3.44Å; L249-A252 WeakPolarHBondContact O-CB 3.39Å; L249-A252 PolarHBondContact O-N 3.32Å; L249-Y253 PolarHBondContact O-N 2.97Å
250	S	98.4	Very high	95	Very high	49 Å²	49	42.6 Å²	42.6	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-66.3	-32.3	177.3	56.9	0	0	0	0	112.3	Y253 A254	S250-Y253 PolarHBondContact O-N 3.14Å; S250-A254 WeakPolarHBondContact O-CB 3.3Å; S250-A254 PolarHBondContact O-N 2.92Å
251	M	98.4	Very high	95.3	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.034	24%	0.238	C	C	.	.	H	α-helix	trans	-69.6	-38.3	173.7	-171	64.6	-118	0	0	111.4	I36 I140 V169 L172 T248 L249 A254 G255	I36-M251 HydrophobicContact CD1-CB 4.22Å; I36-M251 HydrophobicContact CD1-CG 3.76Å; I36-M251 HydrophobicContact CG1-CB 4.14Å; I36-M251 HydrophobicContact CG1-CG 4.12Å; I36-M251 HydrophobicContact CG2-CB 4.42Å; I36-M251 HydrophobicContact CG2-CG 4.09Å; I140-M251 HydrophobicContact CD1-CE 4.2Å; I140-M251 HydrophobicContact CG1-CE 4.13Å; I140-M251 HydrophobicContact CG2-CE 3.94Å; I140-M251 HydrophobicContact CG2-CG 3.91Å; I140-M251 HydrophobicContact CG2-SD 4.12Å; V169-M251 HydrophobicContact CG1-CE 3.83Å; L172-M251 HydrophobicContact CB-CE 4.37Å; L172-M251 HydrophobicContact CB-SD 3.84Å; L172-M251 HydrophobicContact CD2-CB 4.17Å; L172-M251 HydrophobicContact CD2-SD 3.69Å; L172-M251 HydrophobicContact CG-SD 4.36Å; T248-M251 PolarHBondContact O-N 3.32Å; L249-M251 VanDerWaalsContact C-N 3.28Å; L249-M251 PolarHBondContact O-N 3.44Å; M251-A254 HydrophobicContact CE-CB 4.21Å; M251-A254 PolarHBondContact O-N 3.5Å; M251-G255 PolarHBondContact O-N 3.04Å
252	A	98.7	Very high	95.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-44.2	172.3	0	0	0	0	0	111.8	P39 L40 L43 T248 L249 G255 A256	P39-A252 HydrophobicContact CB-CB 3.74Å; P39-A252 HydrophobicContact CG-CB 3.8Å; L40-A252 HydrophobicContact CB-CB 4.01Å; L43-A252 HydrophobicContact CD1-CB 4.26Å; T248-A252 PolarHBondContact O-N 3.32Å; L249-A252 WeakPolarHBondContact O-CB 3.39Å; L249-A252 PolarHBondContact O-N 3.32Å; A252-G255 PolarHBondContact O-N 3.41Å; A252-A256 VanDerWaalsContact O-CB 3.26Å; A252-A256 WeakPolarHBondContact O-CB 3.49Å; A252-A256 PolarHBondContact O-N 3.46Å
253	Y	98.9	Very high	96	Very high	130 Å²	130	31.3 Å²	31.3	51%	0.51	19%	0.186	S	C	.	.	H	α-helix	trans	-57.3	-50.8	172.6	172	-92.3	0	0	0	111.9	V175 L249 S250 G255 A256 R257	V175-Y253 HydrophobicContact CG1-CD1 4.16Å; V175-Y253 HydrophobicContact CG1-CE1 4.05Å; V175-Y253 HydrophobicContact CG2-CD1 4.18Å; V175-Y253 HydrophobicContact CG2-CE1 3.87Å; L249-Y253 PolarHBondContact O-N 2.97Å; S250-Y253 PolarHBondContact O-N 3.14Å; Y253-G255 PolarHBondContact O-N 3.33Å; Y253-A256 PolarHBondContact O-N 3.47Å; Y253-R257 WeakPolarHBondContact O-CB 3.49Å; Y253-R257 PolarHBondContact O-N 3.41Å
254	A	98.8	Very high	96.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-42	-179.1	0	0	0	0	0	112.5	T171 L172 V175 S250 M251 R257 F258	T171-A254 HydrophobicContact CG2-CB 4.26Å; T171-A254 WeakPolarHBondContact CG2-O 3.49Å; L172-A254 HydrophobicContact CB-CB 3.89Å; L172-A254 HydrophobicContact CD1-CB 4.2Å; V175-A254 HydrophobicContact CG2-CB 4.2Å; S250-A254 WeakPolarHBondContact O-CB 3.3Å; S250-A254 PolarHBondContact O-N 2.92Å; M251-A254 HydrophobicContact CE-CB 4.21Å; M251-A254 PolarHBondContact O-N 3.5Å; A254-R257 PolarHBondContact O-N 2.92Å; A254-F258 PolarHBondContact O-N 3.32Å
255	G	98.8	Very high	97.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-44	175.6	0	0	0	0	0	112.4	M251 A252 Y253 F258 V259	M251-G255 PolarHBondContact O-N 3.04Å; A252-G255 PolarHBondContact O-N 3.41Å; Y253-G255 PolarHBondContact O-N 3.33Å; G255-F258 PolarHBondContact O-N 2.96Å; G255-V259 WeakPolarHBondContact O-CG2 3.44Å; G255-V259 PolarHBondContact O-N 3.33Å
256	A	98.9	Very high	97.8	Very high	3 Å²	3	29 Å²	29	3%	0.025	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-45.4	176.2	0	0	0	0	0	111.5	L40 L43 A252 Y253 F258 V259 F260	L40-A256 HydrophobicContact CD1-CB 4Å; L43-A256 HydrophobicContact CB-CB 3.78Å; L43-A256 HydrophobicContact CD1-CB 3.91Å; A252-A256 VanDerWaalsContact O-CB 3.26Å; A252-A256 WeakPolarHBondContact O-CB 3.49Å; A252-A256 PolarHBondContact O-N 3.46Å; Y253-A256 PolarHBondContact O-N 3.47Å; A256-F258 VanDerWaalsContact C-N 3.32Å; A256-F258 PolarHBondContact O-N 3.2Å; A256-V259 PolarHBondContact O-N 3.46Å; A256-F260 HydrophobicContact CB-CE2 3.88Å; A256-F260 HydrophobicContact CB-CZ 4.07Å; A256-F260 WeakPolarHBondContact O-CD2 3.25Å; A256-F260 WeakPolarHBondContact O-CG 3.32Å; A256-F260 PolarHBondContact O-N 3.03Å
257	R	98.9	Very high	98.2	Very high	53 Å²	53	29.5 Å²	29.5	20%	0.2	15%	0.15	C	C	.	.	H	α-helix	trans	-53.4	-49.8	173.8	171.3	-179.8	159.1	-178.8	-9.1	111.2	T171 Y253 A254 V259 F260 S261 E274	T171-R257 HydrophobicContact CG2-CG 4.38Å; Y253-R257 WeakPolarHBondContact O-CB 3.49Å; Y253-R257 PolarHBondContact O-N 3.41Å; A254-R257 PolarHBondContact O-N 2.92Å; R257-V259 PolarHBondContact O-N 2.66Å; R257-F260 PolarHBondContact O-N 3.37Å; R257-S261 PolarHBondContact O-N 2.9Å; R257-S261 PolarHBondContact O-OG 2.75Å; R257-E274 IonicContact CZ-OE1 3.45Å; R257-E274 IonicContact CZ-OE2 3.17Å; R257-E274 IonicContact NE-OE1 2.75Å; R257-E274 PolarHBondContact NE-OE1 2.85Å; R257-E274 IonicContact NE-OE2 2.95Å; R257-E274 IonicContact NH2-OE1 2.55Å; R257-E274 PolarHBondContact NH2-OE1 3.5Å; R257-E274 IonicContact NH2-OE2 3.44Å; R257-E274 PolarHBondContact NH2-OE2 2.81Å
258	F	98.9	Very high	98.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-43.3	-179.2	-170	-106.3	0	0	0	112.4	F167 V169 T171 A254 G255 A256 S261 L262 E274	F167-F258 HydrophobicContact CB-CE1 3.64Å; F167-F258 HydrophobicContact CB-CZ 3.77Å; F167-F258 HydrophobicContact CD1-CE1 4.32Å; F167-F258 AromaticContact CD1-CZ 3.76Å; F167-F258 HydrophobicContact CD1-CZ 3.76Å; F167-F258 AromaticContact CG-CE1 3.98Å; F167-F258 HydrophobicContact CG-CE1 3.98Å; F167-F258 AromaticContact CG-CZ 3.89Å; F167-F258 HydrophobicContact CG-CZ 3.89Å; V169-F258 HydrophobicContact CG1-CB 4.22Å; V169-F258 HydrophobicContact CG1-CD1 4.44Å; V169-F258 HydrophobicContact CG1-CG 4.33Å; V169-F258 HydrophobicContact CG2-CD1 3.87Å; V169-F258 HydrophobicContact CG2-CE1 4.22Å; T171-F258 WeakPolarHBondContact OG1-CB 3.27Å; T171-F258 WeakPolarHBondContact OG1-CD2 3.33Å; A254-F258 PolarHBondContact O-N 3.32Å; G255-F258 PolarHBondContact O-N 2.96Å; A256-F258 VanDerWaalsContact C-N 3.32Å; A256-F258 PolarHBondContact O-N 3.2Å; F258-S261 PolarHBondContact O-N 2.96Å; F258-L262 HydrophobicContact CD1-CD1 3.83Å; F258-L262 HydrophobicContact CE1-CD1 3.48Å; F258-L262 VanDerWaalsContact CE1-CD1 3.48Å; F258-L262 HydrophobicContact CE1-CG 4.24Å; F258-L262 HydrophobicContact CZ-CD1 4.15Å; F258-L262 HydrophobicContact CZ-CG 4.5Å; F258-L262 PolarHBondContact O-N 2.91Å; F258-E274 HydrophobicContact CD2-CB 3.95Å; F258-E274 HydrophobicContact CD2-CG 4.15Å; F258-E274 HydrophobicContact CE2-CB 3.83Å; F258-E274 HydrophobicContact CE2-CG 4.45Å
259	V	98.8	Very high	98.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-43.4	175.6	172.8	0	0	0	0	111.1	V27 L44 V95 V97 G255 A256 R257 L262 V263	V27-V259 HydrophobicContact CG1-CG1 4.45Å; V27-V259 HydrophobicContact CG2-CG1 4.46Å; L44-V259 HydrophobicContact CD2-CB 4.08Å; L44-V259 HydrophobicContact CD2-CG1 3.69Å; L44-V259 HydrophobicContact CD2-CG2 4.5Å; V95-V259 HydrophobicContact CG1-CG1 4.31Å; V95-V259 HydrophobicContact CG1-CG2 4.42Å; V97-V259 HydrophobicContact CG2-CG2 3.48Å; V97-V259 VanDerWaalsContact CG2-CG2 3.48Å; G255-V259 WeakPolarHBondContact O-CG2 3.44Å; G255-V259 PolarHBondContact O-N 3.33Å; A256-V259 PolarHBondContact O-N 3.46Å; R257-V259 PolarHBondContact O-N 2.66Å; V259-L262 WeakPolarHBondContact O-CB 3.37Å; V259-L262 PolarHBondContact O-N 2.82Å; V259-V263 HydrophobicContact CG1-CG2 4.24Å; V259-V263 VanDerWaalsContact O-CG2 3.3Å; V259-V263 WeakPolarHBondContact O-CG2 3.29Å; V259-V263 PolarHBondContact O-N 3.08Å
260	F	98.6	Very high	98.4	Very high	49 Å²	49	37 Å²	37	22%	0.215	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-41.1	178.4	-58.9	-30.1	0	0	0	112.1	L44 S47 L49 A256 R257 L262 V263 D264	L44-F260 HydrophobicContact CD2-CE1 3.76Å; L44-F260 HydrophobicContact CD2-CZ 4.22Å; S47-F260 VanDerWaalsContact CB-CZ 3.44Å; S47-F260 VanDerWaalsContact OG-CE1 3.28Å; S47-F260 WeakPolarHBondContact OG-CE1 3.47Å; L49-F260 HydrophobicContact CD1-CB 3.92Å; L49-F260 HydrophobicContact CD1-CD1 4.06Å; L49-F260 HydrophobicContact CD1-CG 4.22Å; A256-F260 HydrophobicContact CB-CE2 3.88Å; A256-F260 HydrophobicContact CB-CZ 4.07Å; A256-F260 WeakPolarHBondContact O-CD2 3.25Å; A256-F260 WeakPolarHBondContact O-CG 3.32Å; A256-F260 PolarHBondContact O-N 3.03Å; R257-F260 PolarHBondContact O-N 3.37Å; F260-L262 VanDerWaalsContact C-N 3.35Å; F260-L262 PolarHBondContact O-N 3.06Å; F260-V263 PolarHBondContact O-N 2.91Å; F260-D264 VanDerWaalsContact O-CB 3.29Å; F260-D264 WeakPolarHBondContact O-CB 3.21Å; F260-D264 PolarHBondContact O-N 3.36Å
261	S	98.7	Very high	98.4	Very high	19 Å²	19	37.7 Å²	37.7	13%	0.133	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-46.6	172.3	-66.5	0	0	0	0	111.2	R257 F258 D264 A265 V272 E274	R257-S261 PolarHBondContact O-N 2.9Å; R257-S261 PolarHBondContact O-OG 2.75Å; F258-S261 PolarHBondContact O-N 2.96Å; S261-D264 PolarHBondContact O-N 3.46Å; S261-A265 WeakPolarHBondContact O-CB 3.4Å; S261-A265 PolarHBondContact O-N 3.19Å; S261-V272 WeakPolarHBondContact O-CG1 3.44Å; S261-E274 PolarHBondContact OG-OE1 3.26Å
262	L	98.6	Very high	98.4	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-48.2	174.8	-81.1	168.6	0	0	0	112.4	M136 C138 F167 F258 V259 F260 D264 A265 M266 L294	M136-L262 HydrophobicContact CB-CD1 4.45Å; C138-L262 WeakPolarHBondContact SG-CD1 3.5Å; F167-L262 HydrophobicContact CD2-CD1 4.29Å; F167-L262 HydrophobicContact CE1-CD2 4.25Å; F167-L262 HydrophobicContact CE2-CD1 4.4Å; F167-L262 HydrophobicContact CE2-CD2 3.88Å; F167-L262 HydrophobicContact CZ-CD2 3.73Å; F258-L262 HydrophobicContact CD1-CD1 3.83Å; F258-L262 HydrophobicContact CE1-CD1 3.48Å; F258-L262 VanDerWaalsContact CE1-CD1 3.48Å; F258-L262 HydrophobicContact CE1-CG 4.24Å; F258-L262 HydrophobicContact CZ-CD1 4.15Å; F258-L262 HydrophobicContact CZ-CG 4.5Å; F258-L262 PolarHBondContact O-N 2.91Å; V259-L262 WeakPolarHBondContact O-CB 3.37Å; V259-L262 PolarHBondContact O-N 2.82Å; F260-L262 VanDerWaalsContact C-N 3.35Å; F260-L262 PolarHBondContact O-N 3.06Å; L262-D264 PolarHBondContact O-N 3.12Å; L262-A265 PolarHBondContact O-N 3.24Å; L262-M266 WeakPolarHBondContact O-CB 3.08Å; L262-M266 WeakPolarHBondContact O-CG 3.39Å; L262-M266 PolarHBondContact O-N 3Å; L262-L294 HydrophobicContact CD2-CD1 3.86Å; L262-L294 HydrophobicContact CD2-CD2 4.06Å; L262-L294 HydrophobicContact CD2-CG 4.45Å; L262-L294 HydrophobicContact CG-CD1 4.09Å
263	V	98.3	Very high	98.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-67.1	-37.9	-178.1	175.1	0	0	0	0	111.8	A25 L49 V95 V259 F260 M266 N267	A25-V263 HydrophobicContact CB-CB 4.42Å; A25-V263 HydrophobicContact CB-CG1 3.76Å; A25-V263 HydrophobicContact CB-CG2 3.68Å; L49-V263 HydrophobicContact CB-CG1 3.88Å; L49-V263 HydrophobicContact CD1-CB 4.49Å; L49-V263 HydrophobicContact CD1-CG1 4.41Å; V95-V263 HydrophobicContact CG2-CG2 4.06Å; V259-V263 HydrophobicContact CG1-CG2 4.24Å; V259-V263 VanDerWaalsContact O-CG2 3.3Å; V259-V263 WeakPolarHBondContact O-CG2 3.29Å; V259-V263 PolarHBondContact O-N 3.08Å; F260-V263 PolarHBondContact O-N 2.91Å; V263-M266 PolarHBondContact O-N 2.88Å; V263-N267 WeakPolarHBondContact O-CB 3.31Å; V263-N267 PolarHBondContact O-N 2.84Å; V263-N267 PolarHBondContact O-ND2 2.82Å
264	D	98.2	Very high	98.4	Very high	38 Å²	38	35.1 Å²	35.1	20%	0.203	20%	0.196	C	C	.	.	H	α-helix	trans	-58.4	-47.7	171.9	-94.3	-3.2	0	0	0	111.1	F260 S261 L262 N267 G268 K269 V272	F260-D264 VanDerWaalsContact O-CB 3.29Å; F260-D264 WeakPolarHBondContact O-CB 3.21Å; F260-D264 PolarHBondContact O-N 3.36Å; S261-D264 PolarHBondContact O-N 3.46Å; L262-D264 PolarHBondContact O-N 3.12Å; D264-N267 CarbonylContact O-C 3.57Å; D264-N267 WeakPolarHBondContact O-CA 3.29Å; D264-N267 WeakPolarHBondContact O-CB 3.49Å; D264-N267 PolarHBondContact O-N 3.19Å; D264-G268 PolarHBondContact O-N 2.8Å; D264-K269 HydrophobicContact CB-CB 4.13Å; D264-K269 HydrophobicContact CB-CD 3.71Å; D264-K269 VanDerWaalsContact O-CB 3.23Å; D264-K269 WeakPolarHBondContact O-CB 3.4Å; D264-K269 PolarHBondContact O-N 3.41Å; D264-K269 WeakPolarHBondContact OD2-CD 3.23Å; D264-K269 IonicContact OD2-NZ 2.61Å; D264-K269 PolarHBondContact OD2-NZ 2.78Å; D264-V272 HydrophobicContact CB-CG2 4.4Å
265	A	98.3	Very high	98.4	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-65.1	-38.8	177.4	0	0	0	0	0	112.3	S261 L262 N267 G268 V272 L294 G295	S261-A265 WeakPolarHBondContact O-CB 3.4Å; S261-A265 PolarHBondContact O-N 3.19Å; L262-A265 PolarHBondContact O-N 3.24Å; A265-N267 VanDerWaalsContact C-N 3.26Å; A265-N267 PolarHBondContact O-N 2.92Å; A265-G268 WeakPolarHBondContact O-CA 3.36Å; A265-G268 PolarHBondContact O-N 2.82Å; A265-V272 HydrophobicContact CB-CB 4.09Å; A265-V272 HydrophobicContact CB-CG1 4.4Å; A265-V272 HydrophobicContact CB-CG2 4.22Å; A265-L294 HydrophobicContact CB-CB 3.61Å; A265-G295 CarbonylContact O-C 3.11Å
266	M	98	Very high	98.4	Very high	44 Å²	44	35.5 Å²	35.5	22%	0.217	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-35.5	172.6	-71.3	168.9	65.8	0	0	112.3	D94 V95 M136 L262 V263 G268	D94-M266 HydrophobicContact CB-CE 3.79Å; V95-M266 HydrophobicContact CG2-CE 4.44Å; V95-M266 HydrophobicContact CG2-SD 4.01Å; M136-M266 HydrophobicContact CE-CG 4.19Å; M136-M266 HydrophobicContact CE-SD 4.1Å; M136-M266 HydrophobicContact CG-SD 3.8Å; L262-M266 WeakPolarHBondContact O-CB 3.08Å; L262-M266 WeakPolarHBondContact O-CG 3.39Å; L262-M266 PolarHBondContact O-N 3Å; V263-M266 PolarHBondContact O-N 2.88Å; M266-G268 PolarHBondContact O-N 3.14Å
267	N	97.5	Very high	98.4	Very high	51 Å²	51	35.3 Å²	35.3	27%	0.273	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-0.1	172.7	-78.4	-39.5	0	0	0	113.9	N23 V263 D264 A265	N23-N267 WeakPolarHBondContact CA-OD1 3.46Å; N23-N267 VanDerWaalsContact CB-OD1 3.3Å; N23-N267 WeakPolarHBondContact CB-OD1 3.29Å; N23-N267 PolarHBondContact N-OD1 3.05Å; N23-N267 PolarHBondContact O-ND2 3.41Å; N23-N267 PolarHBondContact O-OD1 3.42Å; V263-N267 WeakPolarHBondContact O-CB 3.31Å; V263-N267 PolarHBondContact O-N 2.84Å; V263-N267 PolarHBondContact O-ND2 2.82Å; D264-N267 CarbonylContact O-C 3.57Å; D264-N267 WeakPolarHBondContact O-CA 3.29Å; D264-N267 WeakPolarHBondContact O-CB 3.49Å; D264-N267 PolarHBondContact O-N 3.19Å; A265-N267 VanDerWaalsContact C-N 3.26Å; A265-N267 PolarHBondContact O-N 2.92Å
268	G	96.9	Very high	98.4	Very high	33 Å²	33	32.9 Å²	32.9	34%	0.34	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	15.1	175.5	0	0	0	0	0	114.7	D264 A265 M266 E270	D264-G268 PolarHBondContact O-N 2.8Å; A265-G268 WeakPolarHBondContact O-CA 3.36Å; A265-G268 PolarHBondContact O-N 2.82Å; M266-G268 PolarHBondContact O-N 3.14Å; G268-E270 PolarHBondContact O-N 2.92Å
269	K	97.7	Very high	98.4	Very high	117 Å²	117	36 Å²	36	51%	0.509	20%	0.202	S	C	.	.			trans	-63.8	125.3	168	-173.3	-176.8	-179.2	179.3	0	109.2	D264 V272	D264-K269 HydrophobicContact CB-CB 4.13Å; D264-K269 HydrophobicContact CB-CD 3.71Å; D264-K269 VanDerWaalsContact O-CB 3.23Å; D264-K269 WeakPolarHBondContact O-CB 3.4Å; D264-K269 PolarHBondContact O-N 3.41Å; D264-K269 WeakPolarHBondContact OD2-CD 3.23Å; D264-K269 IonicContact OD2-NZ 2.61Å; D264-K269 PolarHBondContact OD2-NZ 2.78Å; K269-V272 HydrophobicContact CB-CG2 3.97Å; K269-V272 HydrophobicContact CD-CG2 3.76Å; K269-V272 HydrophobicContact CG-CG2 3.84Å
270	E	97.9	Very high	98.4	Very high	179 Å²	179	36.1 Å²	36.1	84%	0.836	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	157.8	179	-63.9	179.5	-168	0	0	111.8	G268 V272	G268-E270 PolarHBondContact O-N 2.92Å; E270-V272 VanDerWaalsContact C-N 3.26Å; E270-V272 PolarHBondContact O-N 2.86Å
271	G	98.1	Very high	98.3	Very high	62 Å²	62	42.2 Å²	42.2	64%	0.639	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	17.8	172.9	0	0	0	0	0	115.2	V273	G271-V273 PolarHBondContact O-N 3.27Å
272	V	98.7	Very high	98.3	Very high	11 Å²	11	45 Å²	45	7%	0.067	24%	0.243	C	C	.	.			trans	-76.4	113.4	176.7	-175.2	0	0	0	0	109.8	S261 D264 A265 K269 E270 L294	S261-V272 WeakPolarHBondContact O-CG1 3.44Å; D264-V272 HydrophobicContact CB-CG2 4.4Å; A265-V272 HydrophobicContact CB-CB 4.09Å; A265-V272 HydrophobicContact CB-CG1 4.4Å; A265-V272 HydrophobicContact CB-CG2 4.22Å; K269-V272 HydrophobicContact CB-CG2 3.97Å; K269-V272 HydrophobicContact CD-CG2 3.76Å; K269-V272 HydrophobicContact CG-CG2 3.84Å; E270-V272 VanDerWaalsContact C-N 3.26Å; E270-V272 PolarHBondContact O-N 2.86Å; V272-L294 HydrophobicContact CB-CB 4.47Å; V272-L294 HydrophobicContact CG1-CB 4.42Å; V272-L294 HydrophobicContact CG1-CD1 4.21Å; V272-L294 PolarHBondContact O-N 2.84Å
273	V	98.8	Very high	98.2	Very high	61 Å²	61	46.4 Å²	46.4	37%	0.37	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.9	-179.2	179.9	0	0	0	0	110.5	G271 P291 L292 L293 L303	G271-V273 PolarHBondContact O-N 3.27Å; V273-P291 HydrophobicContact CG1-CB 3.92Å; V273-L292 VanDerWaalsContact CA-O 3.29Å; V273-L292 WeakPolarHBondContact CA-O 3.37Å; V273-L293 HydrophobicContact CG2-CD1 4.13Å; V273-L303 HydrophobicContact CG1-CD1 3.76Å; V273-L303 HydrophobicContact CG2-CD1 3.94Å
274	E	98.9	Very high	98.2	Very high	11 Å²	11	52.5 Å²	52.5	5%	0.051	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.3	170.9	-71	-71.2	-170.4	0	0	110.1	R257 F258 S261 L292 L294	R257-E274 IonicContact CZ-OE1 3.45Å; R257-E274 IonicContact CZ-OE2 3.17Å; R257-E274 IonicContact NE-OE1 2.75Å; R257-E274 PolarHBondContact NE-OE1 2.85Å; R257-E274 IonicContact NE-OE2 2.95Å; R257-E274 IonicContact NH2-OE1 2.55Å; R257-E274 PolarHBondContact NH2-OE1 3.5Å; R257-E274 IonicContact NH2-OE2 3.44Å; R257-E274 PolarHBondContact NH2-OE2 2.81Å; F258-E274 HydrophobicContact CD2-CB 3.95Å; F258-E274 HydrophobicContact CD2-CG 4.15Å; F258-E274 HydrophobicContact CE2-CB 3.83Å; F258-E274 HydrophobicContact CE2-CG 4.45Å; S261-E274 PolarHBondContact OG-OE1 3.26Å; E274-L292 PolarHBondContact N-O 2.86Å; E274-L292 VanDerWaalsContact N-O 3.16Å; E274-L292 PolarHBondContact O-N 2.76Å; E274-L294 HydrophobicContact CB-CD1 4.29Å; E274-L294 HydrophobicContact CG-CD1 4.35Å
275	C	98.8	Very high	98.2	Very high	9 Å²	9	50.8 Å²	50.8	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	138.5	168.4	-64	0	0	0	0	109.9	T170 I174 T290	T170-C275 PolarHBondContact OG1-O 3.03Å; I174-C275 HydrophobicContact CD1-CB 3.65Å; I174-C275 HydrophobicContact CG1-CB 3.99Å; C275-T290 WeakPolarHBondContact CA-O 3.36Å
276	S	98.9	Very high	98.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	145.3	176	-175.5	0	0	0	0	111.4	F167 G168 V278 S289 T290	F167-S276 WeakPolarHBondContact CB-OG 3.31Å; G168-S276 PolarHBondContact N-OG 2.93Å; G168-S276 PolarHBondContact O-OG 2.89Å; S276-V278 PolarHBondContact O-N 3.07Å; S276-S289 VanDerWaalsContact O-CA 3.28Å; S276-S289 WeakPolarHBondContact O-CA 3.35Å; S276-T290 PolarHBondContact N-O 3.17Å
277	F	98.9	Very high	98.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	107.6	175	-171.3	-102.6	0	0	0	110.7	V144 I148 G168 T170 G198 Y287 L323 I327	V144-F277 HydrophobicContact CG1-CB 4.22Å; V144-F277 HydrophobicContact CG1-CD1 4.3Å; I148-F277 HydrophobicContact CB-CD1 3.84Å; I148-F277 HydrophobicContact CB-CE1 4.1Å; I148-F277 HydrophobicContact CG1-CD1 4.07Å; I148-F277 HydrophobicContact CG2-CD1 3.91Å; I148-F277 HydrophobicContact CG2-CE1 4.13Å; G168-F277 WeakPolarHBondContact CA-O 3.15Å; G168-F277 PolarHBondContact N-O 3.19Å; G168-F277 PolarHBondContact O-N 3.24Å; T170-F277 HydrophobicContact CG2-CB 3.78Å; G198-F277 VanDerWaalsContact O-CD2 3.27Å; G198-F277 WeakPolarHBondContact O-CD2 3.16Å; G198-F277 WeakPolarHBondContact O-CE2 3.18Å; F277-Y287 HydrophobicContact CE1-CG 4.34Å; F277-Y287 VanDerWaalsContact CZ-CB 3.41Å; F277-L323 HydrophobicContact CE2-CD2 4.03Å; F277-L323 HydrophobicContact CZ-CD2 4.47Å; F277-I327 HydrophobicContact CZ-CD1 4.37Å; F277-I327 HydrophobicContact CZ-CG1 4.27Å
278	V	98.9	Very high	98.3	Very high	1 Å²	1	49 Å²	49	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	170.6	-169.6	-63.7	0	0	0	0	111.2	F167 S276 S280 Y287 F288 L292 I299	F167-V278 HydrophobicContact CD1-CG1 3.91Å; S276-V278 PolarHBondContact O-N 3.07Å; V278-S280 PolarHBondContact O-N 2.83Å; V278-Y287 CarbonylContact O-C 3.6Å; V278-Y287 WeakPolarHBondContact O-CA 3.4Å; V278-F288 PolarHBondContact N-O 3.34Å; V278-F288 PolarHBondContact O-N 3.18Å; V278-L292 HydrophobicContact CB-CD1 4.33Å; V278-L292 HydrophobicContact CG1-CD1 3.57Å; V278-L292 HydrophobicContact CG2-CD1 3.83Å; V278-L292 HydrophobicContact CG2-CD2 4.01Å; V278-I299 HydrophobicContact CB-CD1 3.89Å; V278-I299 HydrophobicContact CG1-CD1 3.77Å; V278-I299 HydrophobicContact CG2-CD1 4.07Å
279	K	98.8	Very high	98.4	Very high	67 Å²	67	47.4 Å²	47.4	29%	0.291	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	123.4	166.8	179.3	73.9	-162.3	67.7	0	108.2	Y161 P163 T286 Y287	Y161-K279 WeakPolarHBondContact OH-CB 3.36Å; P163-K279 HydrophobicContact CB-CB 3.97Å; P163-K279 HydrophobicContact CB-CG 4.22Å; K279-T286 VanDerWaalsContact CD-O 3.23Å; K279-T286 WeakPolarHBondContact CD-O 3.42Å; K279-T286 WeakPolarHBondContact CE-O 3.27Å; K279-T286 PolarHBondContact NZ-O 3.33Å; K279-Y287 HydrophobicContact CB-CD1 4.21Å; K279-Y287 HydrophobicContact CB-CE1 4.07Å; K279-Y287 HydrophobicContact CD-CD1 4.44Å; K279-Y287 HydrophobicContact CD-CE1 4.01Å
280	S	98.6	Very high	98.5	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.021	22%	0.224	C	C	.	.			trans	-132	158.3	-170.3	-175.1	0	0	0	0	111.8	V278 E282 T286	V278-S280 PolarHBondContact O-N 2.83Å; S280-E282 WeakPolarHBondContact OG-CG 3.48Å; S280-E282 PolarHBondContact OG-N 2.8Å; S280-T286 PolarHBondContact N-O 2.9Å
281	Q	97.8	Very high	98.5	Very high	176 Å²	176	34.1 Å²	34.1	82%	0.822	19%	0.189	S	C	*	.			trans	-127.4	7.1	170.2	-60.9	-179.7	6.9	0	0	111.2	T283	Q281-T283 PolarHBondContact O-N 3.19Å
282	E	97.7	Very high	98.6	Very high	78 Å²	78	31.2 Å²	31.2	36%	0.364	16%	0.159	S	C	.	.	S	Bend	trans	-71.1	-17.3	-176.1	-53.6	-54.5	134.2	0	0	112.7	S280 T290 N302 G304 I305	S280-E282 WeakPolarHBondContact OG-CG 3.48Å; S280-E282 PolarHBondContact OG-N 2.8Å; E282-T290 HydrophobicContact CB-CG2 4.46Å; E282-T290 HydrophobicContact CG-CG2 4.08Å; E282-N302 PolarHBondContact OE1-ND2 2.78Å; E282-G304 WeakPolarHBondContact OE2-CA 3.38Å; E282-I305 HydrophobicContact CB-CD1 4.49Å; E282-I305 HydrophobicContact CB-CG1 4.47Å
283	T	97.5	Very high	98.6	Very high	31 Å²	31	32.9 Å²	32.9	19%	0.19	17%	0.167	C	C	.	.	S	Bend	trans	-143.2	180	176.9	69.1	0	0	0	0	109.3	Q281 C285 F288 I305	Q281-T283 PolarHBondContact O-N 3.19Å; T283-C285 PolarHBondContact O-N 2.86Å; T283-C285 WeakPolarHBondContact OG1-CB 3.32Å; T283-C285 PolarHBondContact OG1-N 2.81Å; T283-F288 HydrophobicContact CG2-CD2 4.13Å; T283-F288 HydrophobicContact CG2-CE1 4.38Å; T283-F288 HydrophobicContact CG2-CE2 3.97Å; T283-F288 HydrophobicContact CG2-CG 4.4Å; T283-F288 HydrophobicContact CG2-CZ 4.09Å; T283-I305 HydrophobicContact CG2-CD1 3.74Å
284	E	97.4	Very high	98.6	Very high	129 Å²	129	30.2 Å²	30.2	60%	0.603	15%	0.15	S	C	*	.	S	Bend	trans	-68.9	-6.4	168.9	56.5	179.1	151.7	0	0	114.4	I320 K324	E284-I320 HydrophobicContact CG-CD1 4.43Å; E284-I320 HydrophobicContact CG-CG2 3.86Å; E284-I320 WeakPolarHBondContact OE1-CG2 3.48Å; E284-K324 WeakPolarHBondContact OE2-CE 3.44Å; E284-K324 IonicContact OE2-NZ 3.65Å; E284-K324 PolarHBondContact OE2-NZ 3.19Å
285	C	98.2	Very high	98.5	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	15%	0.153	C	C	.	.	S	Bend	trans	-80.3	128.3	169.7	-65.3	0	0	0	0	110.1	T283 Y287 F288 I327	T283-C285 PolarHBondContact O-N 2.86Å; T283-C285 WeakPolarHBondContact OG1-CB 3.32Å; T283-C285 PolarHBondContact OG1-N 2.81Å; C285-Y287 WeakPolarHBondContact CB-O 3.47Å; C285-Y287 PolarHBondContact O-N 3.4Å; C285-F288 HydrophobicContact CB-CD2 4.21Å; C285-I327 HydrophobicContact CB-CD1 4.04Å
286	T	98.6	Very high	98.5	Very high	56 Å²	56	36.8 Å²	36.8	34%	0.344	18%	0.181	S	C	.	.	S	Bend	trans	-66.5	-20.5	179.8	52.9	0	0	0	0	113	K279 S280 I327	K279-T286 VanDerWaalsContact CD-O 3.23Å; K279-T286 WeakPolarHBondContact CD-O 3.42Å; K279-T286 WeakPolarHBondContact CE-O 3.27Å; K279-T286 PolarHBondContact NZ-O 3.33Å; S280-T286 PolarHBondContact N-O 2.9Å; T286-I327 WeakPolarHBondContact OG1-CG2 3.41Å
287	Y	98.9	Very high	98.4	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.9	171.9	-56.6	-95.6	0	0	0	109.8	I148 P149 A152 F277 V278 K279 C285 I327	I148-Y287 HydrophobicContact CG2-CD1 3.64Å; I148-Y287 HydrophobicContact CG2-CE1 4Å; I148-Y287 HydrophobicContact CG2-CG 4.43Å; P149-Y287 HydrophobicContact CB-CD2 4.36Å; P149-Y287 HydrophobicContact CB-CE2 3.96Å; P149-Y287 HydrophobicContact CG-CD2 3.86Å; P149-Y287 HydrophobicContact CG-CE2 3.97Å; P149-Y287 HydrophobicContact CG-CG 4.31Å; A152-Y287 HydrophobicContact CB-CE1 3.98Å; A152-Y287 WeakPolarHBondContact CB-OH 3.44Å; F277-Y287 HydrophobicContact CE1-CG 4.34Å; F277-Y287 VanDerWaalsContact CZ-CB 3.41Å; V278-Y287 CarbonylContact O-C 3.6Å; V278-Y287 WeakPolarHBondContact O-CA 3.4Å; K279-Y287 HydrophobicContact CB-CD1 4.21Å; K279-Y287 HydrophobicContact CB-CE1 4.07Å; K279-Y287 HydrophobicContact CD-CD1 4.44Å; K279-Y287 HydrophobicContact CD-CE1 4.01Å; C285-Y287 WeakPolarHBondContact CB-O 3.47Å; C285-Y287 PolarHBondContact O-N 3.4Å; Y287-I327 HydrophobicContact CD2-CD1 4.23Å; Y287-I327 HydrophobicContact CD2-CG1 4.11Å; Y287-I327 HydrophobicContact CD2-CG2 3.7Å; Y287-I327 HydrophobicContact CE2-CG2 4.06Å; Y287-I327 WeakPolarHBondContact O-CD1 3.44Å
288	F	98.8	Very high	98.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	148	-178.5	-156	-94.8	0	0	0	109.9	I197 G198 I206 V278 T283 C285 T290 I305 L323	I197-F288 HydrophobicContact CB-CE1 4.03Å; I197-F288 HydrophobicContact CD1-CE1 4.04Å; I197-F288 HydrophobicContact CD1-CZ 4.38Å; I197-F288 HydrophobicContact CG1-CE1 4.21Å; G198-F288 VanDerWaalsContact CA-CZ 3.42Å; G198-F288 VanDerWaalsContact N-CE1 3.3Å; I206-F288 HydrophobicContact CD1-CZ 4.45Å; V278-F288 PolarHBondContact N-O 3.34Å; V278-F288 PolarHBondContact O-N 3.18Å; T283-F288 HydrophobicContact CG2-CD2 4.13Å; T283-F288 HydrophobicContact CG2-CE1 4.38Å; T283-F288 HydrophobicContact CG2-CE2 3.97Å; T283-F288 HydrophobicContact CG2-CG 4.4Å; T283-F288 HydrophobicContact CG2-CZ 4.09Å; C285-F288 HydrophobicContact CB-CD2 4.21Å; F288-T290 HydrophobicContact CD1-CG2 3.94Å; F288-T290 HydrophobicContact CE1-CG2 4.33Å; F288-I305 HydrophobicContact CE1-CD1 4.44Å; F288-I305 HydrophobicContact CE1-CG1 4.43Å; F288-L323 HydrophobicContact CD2-CD1 3.67Å; F288-L323 HydrophobicContact CE2-CD1 3.55Å
289	S	98.9	Very high	98.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	126.3	173.7	-175.3	0	0	0	0	110.4	T170 V196 I197 G198 S276	T170-S289 PolarHBondContact OG1-OG 3.18Å; V196-S289 PolarHBondContact O-OG 2.94Å; I197-S289 CarbonylContact C-O 3.57Å; I197-S289 WeakPolarHBondContact CA-O 3.26Å; I197-S289 WeakPolarHBondContact CB-O 3.36Å; G198-S289 PolarHBondContact N-O 2.81Å; G198-S289 WeakPolarHBondContact O-CB 3.33Å; G198-S289 PolarHBondContact O-N 3.17Å; S276-S289 VanDerWaalsContact O-CA 3.28Å; S276-S289 WeakPolarHBondContact O-CA 3.35Å
290	T	98.9	Very high	98.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	166.1	172.7	44.3	0	0	0	0	109.2	I197 C275 S276 E282 F288 L292 N302 I305	I197-T290 HydrophobicContact CG2-CG2 4.49Å; C275-T290 WeakPolarHBondContact CA-O 3.36Å; S276-T290 PolarHBondContact N-O 3.17Å; E282-T290 HydrophobicContact CB-CG2 4.46Å; E282-T290 HydrophobicContact CG-CG2 4.08Å; F288-T290 HydrophobicContact CD1-CG2 3.94Å; F288-T290 HydrophobicContact CE1-CG2 4.33Å; T290-L292 WeakPolarHBondContact O-CG 3.2Å; T290-L292 PolarHBondContact O-N 2.98Å; T290-N302 WeakPolarHBondContact CB-OD1 3.34Å; T290-N302 VanDerWaalsContact OG1-CG 3.28Å; T290-N302 PolarHBondContact OG1-ND2 3.24Å; T290-N302 PolarHBondContact OG1-OD1 3.26Å; T290-I305 HydrophobicContact CG2-CG1 4.16Å
291	P	98.9	Very high	98.3	Very high	17 Å²	17	53.7 Å²	53.7	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	131	169	-18.9	32.2	0	0	0	110.9	P195 V273 L303 G304	P195-P291 HydrophobicContact CB-CG 4.11Å; V273-P291 HydrophobicContact CG1-CB 3.92Å; P291-L303 HydrophobicContact CB-CB 4.25Å; P291-L303 HydrophobicContact CB-CD1 4.18Å; P291-L303 VanDerWaalsContact O-CB 3.27Å; P291-L303 WeakPolarHBondContact O-CB 3.46Å; P291-L303 PolarHBondContact O-N 2.99Å; P291-G304 WeakPolarHBondContact CD-O 3.44Å
292	L	98.9	Very high	98.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.6	-178.3	-51.9	175.4	0	0	0	108.7	F167 V273 E274 V278 T290 L294 I299 N302	F167-L292 HydrophobicContact CE1-CD1 4.45Å; V273-L292 VanDerWaalsContact CA-O 3.29Å; V273-L292 WeakPolarHBondContact CA-O 3.37Å; E274-L292 PolarHBondContact N-O 2.86Å; E274-L292 VanDerWaalsContact N-O 3.16Å; E274-L292 PolarHBondContact O-N 2.76Å; V278-L292 HydrophobicContact CB-CD1 4.33Å; V278-L292 HydrophobicContact CG1-CD1 3.57Å; V278-L292 HydrophobicContact CG2-CD1 3.83Å; V278-L292 HydrophobicContact CG2-CD2 4.01Å; T290-L292 WeakPolarHBondContact O-CG 3.2Å; T290-L292 PolarHBondContact O-N 2.98Å; L292-L294 HydrophobicContact CB-CD2 4.22Å; L292-L294 PolarHBondContact O-N 2.91Å; L292-I299 HydrophobicContact CB-CG2 4.48Å; L292-I299 HydrophobicContact CD1-CD1 3.98Å; L292-I299 HydrophobicContact CD1-CG1 4.07Å; L292-I299 HydrophobicContact CD2-CG2 4.39Å; L292-N302 HydrophobicContact CD2-CB 4.01Å
293	L	98.8	Very high	98.4	Very high	46 Å²	46	47.1 Å²	47.1	24%	0.241	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	120.4	161.8	-179.7	66.2	0	0	0	107.8	V273 E300 K301 L303	V273-L293 HydrophobicContact CG2-CD1 4.13Å; L293-E300 HydrophobicContact CD2-CB 4.4Å; L293-E300 HydrophobicContact CD2-CG 4.31Å; L293-E300 HydrophobicContact CG-CB 4.21Å; L293-E300 WeakPolarHBondContact O-CA 3.42Å; L293-E300 WeakPolarHBondContact O-CB 3.38Å; L293-E300 PolarHBondContact O-N 3.02Å; L293-K301 HydrophobicContact CB-CB 4.08Å; L293-K301 HydrophobicContact CD2-CB 4.29Å; L293-K301 PolarHBondContact N-O 3.27Å; L293-K301 PolarHBondContact O-N 3.16Å; L293-K301 VanDerWaalsContact O-N 3.14Å; L293-L303 HydrophobicContact CB-CD2 4.26Å
294	L	98.8	Very high	98.5	Very high	5 Å²	5	46 Å²	46	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	148.6	177.4	-56.2	178.3	0	0	0	110	F167 L262 A265 V272 E274 L292 G298	F167-L294 HydrophobicContact CE1-CD2 3.96Å; F167-L294 HydrophobicContact CZ-CD2 4.4Å; L262-L294 HydrophobicContact CD2-CD1 3.86Å; L262-L294 HydrophobicContact CD2-CD2 4.06Å; L262-L294 HydrophobicContact CD2-CG 4.45Å; L262-L294 HydrophobicContact CG-CD1 4.09Å; A265-L294 HydrophobicContact CB-CB 3.61Å; V272-L294 HydrophobicContact CB-CB 4.47Å; V272-L294 HydrophobicContact CG1-CB 4.42Å; V272-L294 HydrophobicContact CG1-CD1 4.21Å; V272-L294 PolarHBondContact O-N 2.84Å; E274-L294 HydrophobicContact CB-CD1 4.29Å; E274-L294 HydrophobicContact CG-CD1 4.35Å; L292-L294 HydrophobicContact CB-CD2 4.22Å; L292-L294 PolarHBondContact O-N 2.91Å; L294-G298 CarbonylContact C-O 3.49Å; L294-G298 WeakPolarHBondContact CA-O 3.45Å
295	G	98.3	Very high	98.5	Very high	10 Å²	10	41.2 Å²	41.2	10%	0.103	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	-167.4	179.1	0	0	0	0	0	112.6	A265 K297 G298	A265-G295 CarbonylContact O-C 3.11Å; G295-K297 PolarHBondContact O-N 3.2Å; G295-K297 VanDerWaalsContact O-N 3.07Å; G295-G298 PolarHBondContact N-O 2.85Å; G295-G298 PolarHBondContact O-N 3.34Å
296	K	97.5	Very high	98.5	Very high	149 Å²	149	43.9 Å²	43.9	65%	0.648	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.5	-175	-67.2	-170.8	176.6	179.2	0	114.4
297	K	97	Very high	98.5	Very high	156 Å²	156	50.3 Å²	50.3	68%	0.678	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	20.6	-176.9	-63.8	-178.9	179.9	177.3	0	113.1	G295	G295-K297 PolarHBondContact O-N 3.2Å; G295-K297 VanDerWaalsContact O-N 3.07Å
298	G	98.4	Very high	98.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	97.1	-124.9	-179.4	0	0	0	0	0	110.4	M136 N164 L294 G295 E300	M136-G298 VanDerWaalsContact CE-CA 3.5Å; N164-G298 CarbonylContact O-C 3.5Å; N164-G298 WeakPolarHBondContact O-CA 3.49Å; L294-G298 CarbonylContact C-O 3.49Å; L294-G298 WeakPolarHBondContact CA-O 3.45Å; G295-G298 PolarHBondContact N-O 2.85Å; G295-G298 PolarHBondContact O-N 3.34Å; G298-E300 PolarHBondContact O-N 2.81Å
299	I	98.7	Very high	98.4	Very high	15 Å²	15	53.7 Å²	53.7	8%	0.077	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	115.7	174.6	-53.3	173.1	0	0	0	109.1	N164 F167 V278 L292	N164-I299 HydrophobicContact CB-CB 4.08Å; N164-I299 PolarHBondContact ND2-O 3.33Å; N164-I299 PolarHBondContact O-N 3.31Å; F167-I299 HydrophobicContact CD1-CG1 4.38Å; F167-I299 HydrophobicContact CE1-CD1 4.01Å; F167-I299 HydrophobicContact CE1-CG1 3.39Å; F167-I299 HydrophobicContact CZ-CG1 3.8Å; V278-I299 HydrophobicContact CB-CD1 3.89Å; V278-I299 HydrophobicContact CG1-CD1 3.77Å; V278-I299 HydrophobicContact CG2-CD1 4.07Å; L292-I299 HydrophobicContact CB-CG2 4.48Å; L292-I299 HydrophobicContact CD1-CD1 3.98Å; L292-I299 HydrophobicContact CD1-CG1 4.07Å; L292-I299 HydrophobicContact CD2-CG2 4.39Å
300	E	98.6	Very high	98.4	Very high	125 Å²	125	58.9 Å²	58.9	58%	0.584	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	-43.6	173	-169.3	69.3	-161.3	0	0	110.2	L293 G298	L293-E300 HydrophobicContact CD2-CB 4.4Å; L293-E300 HydrophobicContact CD2-CG 4.31Å; L293-E300 HydrophobicContact CG-CB 4.21Å; L293-E300 WeakPolarHBondContact O-CA 3.42Å; L293-E300 WeakPolarHBondContact O-CB 3.38Å; L293-E300 PolarHBondContact O-N 3.02Å; G298-E300 PolarHBondContact O-N 2.81Å
301	K	98.6	Very high	98.3	Very high	129 Å²	129	61.4 Å²	61.4	56%	0.561	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153	132.1	178.2	-176.8	177.3	178.4	-179.9	0	111.4	L293 L303	L293-K301 HydrophobicContact CB-CB 4.08Å; L293-K301 HydrophobicContact CD2-CB 4.29Å; L293-K301 PolarHBondContact N-O 3.27Å; L293-K301 PolarHBondContact O-N 3.16Å; L293-K301 VanDerWaalsContact O-N 3.14Å; K301-L303 HydrophobicContact CD-CD2 4.12Å; K301-L303 HydrophobicContact CG-CD2 4.21Å
302	N	98.6	Very high	98.3	Very high	38 Å²	38	60.8 Å²	60.8	20%	0.203	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.8	164.3	-166.8	-22.7	0	0	0	108.8	E282 T290 L292 G304	E282-N302 PolarHBondContact OE1-ND2 2.78Å; T290-N302 WeakPolarHBondContact CB-OD1 3.34Å; T290-N302 VanDerWaalsContact OG1-CG 3.28Å; T290-N302 PolarHBondContact OG1-ND2 3.24Å; T290-N302 PolarHBondContact OG1-OD1 3.26Å; L292-N302 HydrophobicContact CD2-CB 4.01Å; N302-G304 VanDerWaalsContact C-N 3.27Å; N302-G304 PolarHBondContact OD1-N 3.4Å
303	L	98.7	Very high	98.3	Very high	78 Å²	78	65.9 Å²	65.9	41%	0.408	34%	0.342	S	S	.	.			trans	-84.8	-4.5	-178.7	-55.4	179	0	0	0	112.6	V273 P291 L293 K301	V273-L303 HydrophobicContact CG1-CD1 3.76Å; V273-L303 HydrophobicContact CG2-CD1 3.94Å; P291-L303 HydrophobicContact CB-CB 4.25Å; P291-L303 HydrophobicContact CB-CD1 4.18Å; P291-L303 VanDerWaalsContact O-CB 3.27Å; P291-L303 WeakPolarHBondContact O-CB 3.46Å; P291-L303 PolarHBondContact O-N 2.99Å; L293-L303 HydrophobicContact CB-CD2 4.26Å; K301-L303 HydrophobicContact CD-CD2 4.12Å; K301-L303 HydrophobicContact CG-CD2 4.21Å
304	G	98.4	Very high	98.3	Very high	7 Å²	7	70.2 Å²	70.2	7%	0.072	36%	0.359	C	S	.	.			trans	71.9	-167.5	174.9	0	0	0	0	0	114	E282 P291 N302	E282-G304 WeakPolarHBondContact OE2-CA 3.38Å; P291-G304 WeakPolarHBondContact CD-O 3.44Å; N302-G304 VanDerWaalsContact C-N 3.27Å; N302-G304 PolarHBondContact OD1-N 3.4Å
305	I	98.5	Very high	98.3	Very high	29 Å²	29	70.9 Å²	70.9	15%	0.149	36%	0.362	C	S	.	.	S	Bend	trans	-77.2	-30	-177.9	-67.1	170.5	0	0	0	111.6	I197 Q211 E282 T283 F288 T290 V308 I316	I197-I305 HydrophobicContact CD1-CB 4.48Å; I197-I305 HydrophobicContact CD1-CG1 4.09Å; I197-I305 HydrophobicContact CD1-CG2 3.93Å; Q211-I305 PolarHBondContact NE2-O 3.48Å; E282-I305 HydrophobicContact CB-CD1 4.49Å; E282-I305 HydrophobicContact CB-CG1 4.47Å; T283-I305 HydrophobicContact CG2-CD1 3.74Å; F288-I305 HydrophobicContact CE1-CD1 4.44Å; F288-I305 HydrophobicContact CE1-CG1 4.43Å; T290-I305 HydrophobicContact CG2-CG1 4.16Å; I305-V308 HydrophobicContact CG2-CG1 3.56Å; I305-I316 HydrophobicContact CD1-CD1 4.46Å; I305-I316 HydrophobicContact CG2-CD1 3.88Å
306	G	97.7	Very high	98.3	Very high	58 Å²	58	70.8 Å²	70.8	60%	0.598	36%	0.359	S	S	*	.			trans	69.6	-160.9	-173.9	0	0	0	0	0	112.8
307	K	98.2	Very high	98.3	Very high	192 Å²	192	67.1 Å²	67.1	84%	0.835	35%	0.352	S	S	*	.	S	Bend	trans	-83	124.8	177.6	-175.2	-178.8	179.6	-179.1	0	109.7	Q211	Q211-K307 PolarHBondContact NE2-O 2.94Å
308	V	98.3	Very high	98.4	Very high	32 Å²	32	63.5 Å²	63.5	19%	0.194	34%	0.34	C	S	.	.			trans	-119.4	158.9	-179.4	-65.4	0	0	0	0	111.9	L208 I305 E312 E313 I316	L208-V308 HydrophobicContact CD1-CG1 4.12Å; L208-V308 HydrophobicContact CD2-CG1 3.89Å; I305-V308 HydrophobicContact CG2-CG1 3.56Å; V308-E312 HydrophobicContact CB-CB 4Å; V308-E312 HydrophobicContact CG1-CB 4.47Å; V308-E313 HydrophobicContact CG2-CB 4.45Å; V308-E313 WeakPolarHBondContact CG2-OE2 3.3Å; V308-I316 HydrophobicContact CG1-CD1 4.45Å; V308-I316 HydrophobicContact CG2-CD1 4.35Å
309	S	98	Very high	98.4	Very high	40 Å²	40	63.5 Å²	63.5	28%	0.28	34%	0.34	S	S	.	.			trans	-79.3	163.5	171.8	65.8	0	0	0	0	111.6	F311 E312 E313	S309-F311 PolarHBondContact O-N 3.45Å; S309-E312 WeakPolarHBondContact CB-OE2 3.45Å; S309-E312 PolarHBondContact N-OE2 3.33Å; S309-E312 PolarHBondContact O-N 3.2Å; S309-E312 VanDerWaalsContact O-N 3.12Å; S309-E312 WeakPolarHBondContact OG-CG 3.23Å; S309-E312 PolarHBondContact OG-N 2.67Å; S309-E312 PolarHBondContact OG-OE2 3.2Å; S309-E313 PolarHBondContact O-N 2.89Å
310	S	98	Very high	98.4	Very high	111 Å²	111	63.8 Å²	63.8	78%	0.776	34%	0.342	S	S	*	.	H	α-helix	trans	-61	-29.2	175.6	-52.1	0	0	0	0	113.3	K314	S310-K314 PolarHBondContact O-N 2.97Å
311	F	98.1	Very high	98.3	Very high	53 Å²	53	61.7 Å²	61.7	23%	0.232	34%	0.339	C	S	.	.	H	α-helix	trans	-66.3	-45.3	174.3	177.1	-105.8	0	0	0	111.2	L223 T227 S309 K314 M315	L223-F311 HydrophobicContact CD2-CD1 4.1Å; L223-F311 HydrophobicContact CD2-CE1 4.42Å; L223-F311 HydrophobicContact CG-CD1 4.41Å; L223-F311 HydrophobicContact CG-CE1 4.24Å; T227-F311 HydrophobicContact CG2-CE1 4.39Å; T227-F311 HydrophobicContact CG2-CZ 4.5Å; S309-F311 PolarHBondContact O-N 3.45Å; F311-K314 PolarHBondContact O-N 3.31Å; F311-M315 HydrophobicContact CD1-CE 3.73Å; F311-M315 HydrophobicContact CD1-SD 4.5Å; F311-M315 HydrophobicContact CE1-CE 3.57Å; F311-M315 HydrophobicContact CE1-SD 3.9Å; F311-M315 HydrophobicContact CZ-CE 4.48Å; F311-M315 HydrophobicContact CZ-SD 4.26Å; F311-M315 PolarHBondContact O-N 3.03Å
312	E	98.6	Very high	98.3	Very high	3 Å²	3	58.4 Å²	58.4	1%	0.014	33%	0.326	C	S	.	.	H	α-helix	trans	-70.7	-37.4	178.2	-69.5	153.5	162	0	0	112.5	L208 I209 S210 V308 S309 K314 M315 I316	L208-E312 VanDerWaalsContact C-OE1 3.25Å; L208-E312 WeakPolarHBondContact CA-OE1 3.5Å; L208-E312 HydrophobicContact CD2-CB 3.97Å; L208-E312 HydrophobicContact CD2-CG 3.89Å; I209-E312 PolarHBondContact N-OE1 3.03Å; I209-E312 VanDerWaalsContact N-OE1 3.09Å; S210-E312 WeakPolarHBondContact CB-OE1 3.43Å; S210-E312 VanDerWaalsContact CB-OE2 3.31Å; S210-E312 WeakPolarHBondContact CB-OE2 3.47Å; S210-E312 PolarHBondContact N-OE1 2.98Å; S210-E312 PolarHBondContact OG-OE1 3.43Å; S210-E312 PolarHBondContact OG-OE2 3Å; V308-E312 HydrophobicContact CB-CB 4Å; V308-E312 HydrophobicContact CG1-CB 4.47Å; S309-E312 WeakPolarHBondContact CB-OE2 3.45Å; S309-E312 PolarHBondContact N-OE2 3.33Å; S309-E312 PolarHBondContact O-N 3.2Å; S309-E312 VanDerWaalsContact O-N 3.12Å; S309-E312 WeakPolarHBondContact OG-CG 3.23Å; S309-E312 PolarHBondContact OG-N 2.67Å; S309-E312 PolarHBondContact OG-OE2 3.2Å; E312-K314 VanDerWaalsContact C-N 3.28Å; E312-K314 PolarHBondContact O-N 3.32Å; E312-M315 HydrophobicContact CB-CE 4.05Å; E312-M315 HydrophobicContact CG-CE 3.57Å; E312-M315 WeakPolarHBondContact O-CB 3.47Å; E312-M315 PolarHBondContact O-N 2.78Å; E312-M315 VanDerWaalsContact O-N 3.1Å; E312-I316 WeakPolarHBondContact O-CG1 3.47Å; E312-I316 PolarHBondContact O-N 2.89Å
313	E	98.3	Very high	98.3	Very high	107 Å²	107	56.6 Å²	56.6	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-57.2	-43.3	173.4	-172.4	63	-150.5	0	0	111.4	V308 S309 M315 I316 S317	V308-E313 HydrophobicContact CG2-CB 4.45Å; V308-E313 WeakPolarHBondContact CG2-OE2 3.3Å; S309-E313 PolarHBondContact O-N 2.89Å; E313-M315 PolarHBondContact O-N 3.44Å; E313-I316 PolarHBondContact O-N 3.24Å; E313-S317 PolarHBondContact O-N 3.32Å
314	K	98.3	Very high	98.3	Very high	138 Å²	138	57 Å²	57	60%	0.6	31%	0.314	S	S	*	.	H	α-helix	trans	-63.2	-41.9	175.2	-172.4	177.9	178.6	-178.2	0	111.9	S310 F311 E312 I316 S317 D318	S310-K314 PolarHBondContact O-N 2.97Å; F311-K314 PolarHBondContact O-N 3.31Å; E312-K314 VanDerWaalsContact C-N 3.28Å; E312-K314 PolarHBondContact O-N 3.32Å; K314-I316 VanDerWaalsContact C-N 3.32Å; K314-I316 PolarHBondContact O-N 3.2Å; K314-S317 PolarHBondContact O-N 3.23Å; K314-D318 WeakPolarHBondContact O-CB 3.46Å; K314-D318 PolarHBondContact O-N 3.29Å
315	M	98.6	Very high	98.3	Very high	19 Å²	19	59.6 Å²	59.6	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-60.8	-40.7	175.3	-68.2	-167.8	-75.4	0	0	112.1	I206 T227 F311 E312 E313 D318 A319	I206-M315 HydrophobicContact CG1-CB 4.29Å; I206-M315 HydrophobicContact CG2-CB 3.93Å; I206-M315 HydrophobicContact CG2-CE 3.9Å; I206-M315 HydrophobicContact CG2-SD 4.37Å; T227-M315 HydrophobicContact CG2-CE 4.27Å; T227-M315 HydrophobicContact CG2-SD 3.43Å; T227-M315 WeakPolarHBondContact CG2-SD 3.43Å; F311-M315 HydrophobicContact CD1-CE 3.73Å; F311-M315 HydrophobicContact CD1-SD 4.5Å; F311-M315 HydrophobicContact CE1-CE 3.57Å; F311-M315 HydrophobicContact CE1-SD 3.9Å; F311-M315 HydrophobicContact CZ-CE 4.48Å; F311-M315 HydrophobicContact CZ-SD 4.26Å; F311-M315 PolarHBondContact O-N 3.03Å; E312-M315 HydrophobicContact CB-CE 4.05Å; E312-M315 HydrophobicContact CG-CE 3.57Å; E312-M315 WeakPolarHBondContact O-CB 3.47Å; E312-M315 PolarHBondContact O-N 2.78Å; E312-M315 VanDerWaalsContact O-N 3.1Å; E313-M315 PolarHBondContact O-N 3.44Å; M315-D318 PolarHBondContact O-N 2.87Å; M315-A319 VanDerWaalsContact O-CB 3.22Å; M315-A319 WeakPolarHBondContact O-CB 3.45Å; M315-A319 PolarHBondContact O-N 3.2Å
316	I	98.6	Very high	98.2	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-60.2	-50.4	175.4	-65.9	163.9	0	0	0	109.9	I197 I206 I305 V308 E312 E313 K314 D318 A319 I320	I197-I316 HydrophobicContact CD1-CD1 3.85Å; I197-I316 HydrophobicContact CD1-CG1 3.94Å; I206-I316 HydrophobicContact CD1-CB 4.4Å; I206-I316 HydrophobicContact CD1-CG1 3.89Å; I206-I316 HydrophobicContact CG2-CG1 4.43Å; I305-I316 HydrophobicContact CD1-CD1 4.46Å; I305-I316 HydrophobicContact CG2-CD1 3.88Å; V308-I316 HydrophobicContact CG1-CD1 4.45Å; V308-I316 HydrophobicContact CG2-CD1 4.35Å; E312-I316 WeakPolarHBondContact O-CG1 3.47Å; E312-I316 PolarHBondContact O-N 2.89Å; E313-I316 PolarHBondContact O-N 3.24Å; K314-I316 VanDerWaalsContact C-N 3.32Å; K314-I316 PolarHBondContact O-N 3.2Å; I316-D318 VanDerWaalsContact C-N 3.35Å; I316-D318 PolarHBondContact O-N 2.94Å; I316-A319 PolarHBondContact O-N 3.16Å; I316-I320 HydrophobicContact CG2-CD1 4.05Å; I316-I320 WeakPolarHBondContact O-CG1 3.28Å; I316-I320 PolarHBondContact O-N 3.14Å; I316-I320 VanDerWaalsContact O-N 3.13Å
317	S	98.4	Very high	98.3	Very high	72 Å²	72	56.8 Å²	56.8	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-57.3	-45.7	178.2	-170.4	0	0	0	0	112.3	E313 K314 A319 P321	E313-S317 PolarHBondContact O-N 3.32Å; K314-S317 PolarHBondContact O-N 3.23Å; S317-A319 VanDerWaalsContact C-N 3.32Å; S317-A319 PolarHBondContact O-N 3.35Å; S317-P321 VanDerWaalsContact O-CD 3.22Å; S317-P321 WeakPolarHBondContact O-CD 3.28Å
318	D	98.1	Very high	98.3	Very high	80 Å²	80	53.3 Å²	53.3	43%	0.428	29%	0.293	S	S	.	.	H	α-helix	trans	-70.8	-25.5	-178.9	-73.5	-21.2	0	0	0	113.3	K203 K314 M315 I316	K203-D318 WeakPolarHBondContact CE-O 3.47Å; K203-D318 PolarHBondContact NZ-O 3.26Å; K314-D318 WeakPolarHBondContact O-CB 3.46Å; K314-D318 PolarHBondContact O-N 3.29Å; M315-D318 PolarHBondContact O-N 2.87Å; I316-D318 VanDerWaalsContact C-N 3.35Å; I316-D318 PolarHBondContact O-N 2.94Å
319	A	98.3	Very high	98.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-81.7	-33.5	179.5	0	0	0	0	0	113.5	I206 M315 I316 S317 E322 L323	I206-A319 HydrophobicContact CD1-CB 3.82Å; I206-A319 HydrophobicContact CG1-CB 4.43Å; M315-A319 VanDerWaalsContact O-CB 3.22Å; M315-A319 WeakPolarHBondContact O-CB 3.45Å; M315-A319 PolarHBondContact O-N 3.2Å; I316-A319 PolarHBondContact O-N 3.16Å; S317-A319 VanDerWaalsContact C-N 3.32Å; S317-A319 PolarHBondContact O-N 3.35Å; A319-E322 PolarHBondContact O-N 3.23Å; A319-L323 HydrophobicContact CB-CD1 4.44Å; A319-L323 PolarHBondContact O-N 3.33Å
320	I	98.6	Very high	98.2	Very high	21 Å²	21	53.4 Å²	53.4	11%	0.108	29%	0.286	C	S	.	.	H	α-helix	trans	-52.8	-48.1	-175.1	-78.1	165.3	0	0	0	112.9	E284 I316 E322 L323 K324	E284-I320 HydrophobicContact CG-CD1 4.43Å; E284-I320 HydrophobicContact CG-CG2 3.86Å; E284-I320 WeakPolarHBondContact OE1-CG2 3.48Å; I316-I320 HydrophobicContact CG2-CD1 4.05Å; I316-I320 WeakPolarHBondContact O-CG1 3.28Å; I316-I320 PolarHBondContact O-N 3.14Å; I316-I320 VanDerWaalsContact O-N 3.13Å; I320-E322 VanDerWaalsContact C-N 3.35Å; I320-E322 PolarHBondContact O-N 3.43Å; I320-L323 PolarHBondContact O-N 3.07Å; I320-K324 HydrophobicContact CG2-CD 4.24Å; I320-K324 HydrophobicContact CG2-CG 4.42Å; I320-K324 WeakPolarHBondContact O-CG 3.35Å; I320-K324 PolarHBondContact O-N 3.22Å
321	P	98.4	Very high	98.2	Very high	80 Å²	80	50 Å²	50	52%	0.519	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-40.2	-179.7	-25.4	34.7	0	0	0	113.5	S317 A325	S317-P321 VanDerWaalsContact O-CD 3.22Å; S317-P321 WeakPolarHBondContact O-CD 3.28Å; P321-A325 PolarHBondContact O-N 3.02Å; P321-A325 VanDerWaalsContact O-N 3.07Å
322	E	97.6	Very high	98.2	Very high	61 Å²	61	49.9 Å²	49.9	29%	0.285	26%	0.26	S	S	.	.	H	α-helix	trans	-70.7	-38.3	179.2	-177.9	169.2	167.9	0	0	111.7	K203 T204 A319 I320 A325 S326	K203-E322 WeakPolarHBondContact CE-OE2 3.45Å; K203-E322 VanDerWaalsContact CG-OE2 3.22Å; K203-E322 WeakPolarHBondContact CG-OE2 3.31Å; K203-E322 IonicContact NZ-OE2 2.91Å; T204-E322 HydrophobicContact CG2-CB 4.07Å; T204-E322 HydrophobicContact CG2-CG 3.87Å; A319-E322 PolarHBondContact O-N 3.23Å; I320-E322 VanDerWaalsContact C-N 3.35Å; I320-E322 PolarHBondContact O-N 3.43Å; E322-A325 PolarHBondContact O-N 3.13Å; E322-S326 WeakPolarHBondContact O-CB 3.46Å; E322-S326 PolarHBondContact O-N 3.37Å; E322-S326 PolarHBondContact O-OG 3.22Å
323	L	98.3	Very high	98.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-49.2	173.1	-76.2	173.4	0	0	0	111.3	N145 T204 F277 F288 A319 I320 A325 S326 I327	N145-L323 HydrophobicContact CB-CD2 4.5Å; T204-L323 HydrophobicContact CG2-CD2 3.91Å; T204-L323 HydrophobicContact CG2-CG 3.84Å; F277-L323 HydrophobicContact CE2-CD2 4.03Å; F277-L323 HydrophobicContact CZ-CD2 4.47Å; F288-L323 HydrophobicContact CD2-CD1 3.67Å; F288-L323 HydrophobicContact CE2-CD1 3.55Å; A319-L323 HydrophobicContact CB-CD1 4.44Å; A319-L323 PolarHBondContact O-N 3.33Å; I320-L323 PolarHBondContact O-N 3.07Å; L323-A325 VanDerWaalsContact C-N 3.31Å; L323-A325 PolarHBondContact O-N 3.21Å; L323-S326 PolarHBondContact O-N 2.79Å; L323-I327 HydrophobicContact CB-CD1 4.49Å; L323-I327 WeakPolarHBondContact O-CB 3.48Å; L323-I327 WeakPolarHBondContact O-CD1 3.46Å; L323-I327 WeakPolarHBondContact O-CG1 3.38Å; L323-I327 PolarHBondContact O-N 3.03Å
324	K	98.5	Very high	98	Very high	85 Å²	85	45.9 Å²	45.9	37%	0.37	24%	0.241	S	C	.	.	H	α-helix	trans	-56.6	-44.3	176.7	-76.9	-173.9	174.5	-174.5	0	112.3	E284 I320 I327 K328	E284-K324 WeakPolarHBondContact OE2-CE 3.44Å; E284-K324 IonicContact OE2-NZ 3.65Å; E284-K324 PolarHBondContact OE2-NZ 3.19Å; I320-K324 HydrophobicContact CG2-CD 4.24Å; I320-K324 HydrophobicContact CG2-CG 4.42Å; I320-K324 WeakPolarHBondContact O-CG 3.35Å; I320-K324 PolarHBondContact O-N 3.22Å; K324-I327 PolarHBondContact O-N 3.08Å; K324-K328 VanDerWaalsContact O-CB 3.29Å; K324-K328 WeakPolarHBondContact O-CB 3.4Å; K324-K328 PolarHBondContact O-N 2.87Å
325	A	98.2	Very high	97.8	Very high	62 Å²	62	45.7 Å²	45.7	51%	0.512	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-45.1	177.3	0	0	0	0	0	111.8	P321 E322 L323 K329	P321-A325 PolarHBondContact O-N 3.02Å; P321-A325 VanDerWaalsContact O-N 3.07Å; E322-A325 PolarHBondContact O-N 3.13Å; L323-A325 VanDerWaalsContact C-N 3.31Å; L323-A325 PolarHBondContact O-N 3.21Å; A325-K329 VanDerWaalsContact O-CB 3.32Å; A325-K329 WeakPolarHBondContact O-CB 3.36Å; A325-K329 PolarHBondContact O-N 3Å
326	S	97.9	Very high	97.6	Very high	24 Å²	24	49.7 Å²	49.7	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-41.8	178.2	-59	0	0	0	0	112.3	S146 E322 L323 K329 G330	S146-S326 WeakPolarHBondContact CB-O 3.4Å; S146-S326 PolarHBondContact OG-O 3.33Å; E322-S326 WeakPolarHBondContact O-CB 3.46Å; E322-S326 PolarHBondContact O-N 3.37Å; E322-S326 PolarHBondContact O-OG 3.22Å; L323-S326 PolarHBondContact O-N 2.79Å; S326-K329 PolarHBondContact O-N 2.78Å; S326-G330 PolarHBondContact O-N 3.43Å
327	I	98.6	Very high	97.1	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-54.5	177.8	-72.1	163.6	0	0	0	110.1	P149 F277 C285 T286 Y287 L323 K324 K329 G330 E331	P149-I327 HydrophobicContact CB-CG2 4.49Å; P149-I327 HydrophobicContact CG-CB 4.25Å; P149-I327 HydrophobicContact CG-CG1 4.13Å; P149-I327 HydrophobicContact CG-CG2 4.13Å; F277-I327 HydrophobicContact CZ-CD1 4.37Å; F277-I327 HydrophobicContact CZ-CG1 4.27Å; C285-I327 HydrophobicContact CB-CD1 4.04Å; T286-I327 WeakPolarHBondContact OG1-CG2 3.41Å; Y287-I327 HydrophobicContact CD2-CD1 4.23Å; Y287-I327 HydrophobicContact CD2-CG1 4.11Å; Y287-I327 HydrophobicContact CD2-CG2 3.7Å; Y287-I327 HydrophobicContact CE2-CG2 4.06Å; Y287-I327 WeakPolarHBondContact O-CD1 3.44Å; L323-I327 HydrophobicContact CB-CD1 4.49Å; L323-I327 WeakPolarHBondContact O-CB 3.48Å; L323-I327 WeakPolarHBondContact O-CD1 3.46Å; L323-I327 WeakPolarHBondContact O-CG1 3.38Å; L323-I327 PolarHBondContact O-N 3.03Å; K324-I327 PolarHBondContact O-N 3.08Å; I327-K329 PolarHBondContact O-N 3.01Å; I327-G330 PolarHBondContact O-N 3.1Å; I327-E331 HydrophobicContact CG2-CG 4.36Å; I327-E331 PolarHBondContact O-N 3.33Å
328	K	98.2	Very high	95.5	Very high	118 Å²	118	61.6 Å²	61.6	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-57	-40.6	-179.9	-174.9	179.2	-172.1	-60.5	0	111.4	K324 G330 E331 D332	K324-K328 VanDerWaalsContact O-CB 3.29Å; K324-K328 WeakPolarHBondContact O-CB 3.4Å; K324-K328 PolarHBondContact O-N 2.87Å; K328-G330 VanDerWaalsContact C-N 3.32Å; K328-G330 PolarHBondContact O-N 2.88Å; K328-E331 PolarHBondContact O-N 2.98Å; K328-D332 WeakPolarHBondContact CG-OD2 3.09Å; K328-D332 IonicContact NZ-OD2 2.84Å; K328-D332 PolarHBondContact NZ-OD2 3.08Å; K328-D332 WeakPolarHBondContact O-CB 3.4Å; K328-D332 VanDerWaalsContact O-CG 3.27Å; K328-D332 PolarHBondContact O-N 3.02Å
329	K	97.5	Very high	95.4	Very high	75 Å²	75	60.7 Å²	60.7	33%	0.326	31%	0.305	S	S	.	.	H	α-helix	trans	-59.6	-41.4	176.4	-170.1	-180	-174	-179.3	0	112.4	D111 F114 A325 S326 I327 F333	D111-K329 IonicContact OD1-NZ 3.6Å; D111-K329 PolarHBondContact OD1-NZ 2.81Å; F114-K329 HydrophobicContact CD1-CD 4.22Å; F114-K329 VanDerWaalsContact CD1-CE 3.41Å; F114-K329 HydrophobicContact CD1-CG 4.44Å; F114-K329 HydrophobicContact CD2-CD 4.35Å; F114-K329 HydrophobicContact CE1-CD 4.17Å; F114-K329 HydrophobicContact CE1-CG 3.89Å; F114-K329 HydrophobicContact CE2-CD 4.33Å; F114-K329 HydrophobicContact CE2-CG 4.18Å; F114-K329 HydrophobicContact CG-CD 4.31Å; F114-K329 HydrophobicContact CZ-CD 4.23Å; F114-K329 HydrophobicContact CZ-CG 3.75Å; A325-K329 VanDerWaalsContact O-CB 3.32Å; A325-K329 WeakPolarHBondContact O-CB 3.36Å; A325-K329 PolarHBondContact O-N 3Å; S326-K329 PolarHBondContact O-N 2.78Å; I327-K329 PolarHBondContact O-N 3.01Å; K329-F333 PolarHBondContact O-N 2.68Å; K329-F333 VanDerWaalsContact O-N 3.14Å
330	G	98	Very high	95.2	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.6	-45.2	175.2	0	0	0	0	0	112.9	I150 S326 I327 K328 F333 V334	I150-G330 VanDerWaalsContact CG1-O 3.25Å; I150-G330 WeakPolarHBondContact CG1-O 3.44Å; S326-G330 PolarHBondContact O-N 3.43Å; I327-G330 PolarHBondContact O-N 3.1Å; K328-G330 VanDerWaalsContact C-N 3.32Å; K328-G330 PolarHBondContact O-N 2.88Å; G330-F333 PolarHBondContact O-N 2.98Å; G330-V334 PolarHBondContact O-N 3.38Å
331	E	98.1	Very high	95	Very high	39 Å²	39	66.3 Å²	66.3	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-62.1	-45.2	177.5	-66.5	174.6	167	0	0	111.9	P149 E153 I327 K328 F333 V334 K335	P149-E331 HydrophobicContact CB-CG 3.96Å; E153-E331 HydrophobicContact CG-CB 4.39Å; E153-E331 HydrophobicContact CG-CG 4.24Å; I327-E331 HydrophobicContact CG2-CG 4.36Å; I327-E331 PolarHBondContact O-N 3.33Å; K328-E331 PolarHBondContact O-N 2.98Å; E331-F333 PolarHBondContact O-N 3.1Å; E331-V334 PolarHBondContact O-N 3.3Å; E331-K335 PolarHBondContact O-N 2.9Å
332	D	97.7	Very high	94.8	Very high	50 Å²	50	65.5 Å²	65.5	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-67.2	-35.7	-179.4	-72.1	-16.5	0	0	0	112.2	K328 V334 K335 T336	K328-D332 WeakPolarHBondContact CG-OD2 3.09Å; K328-D332 IonicContact NZ-OD2 2.84Å; K328-D332 PolarHBondContact NZ-OD2 3.08Å; K328-D332 WeakPolarHBondContact O-CB 3.4Å; K328-D332 VanDerWaalsContact O-CG 3.27Å; K328-D332 PolarHBondContact O-N 3.02Å; D332-V334 VanDerWaalsContact C-N 3.31Å; D332-V334 PolarHBondContact O-N 2.95Å; D332-K335 WeakPolarHBondContact O-CB 3.36Å; D332-K335 PolarHBondContact O-N 3.06Å; D332-K335 VanDerWaalsContact O-N 3.13Å; D332-K335 IonicContact OD1-NZ 2.67Å; D332-K335 PolarHBondContact OD1-NZ 2.98Å; D332-T336 WeakPolarHBondContact O-CG2 3.28Å; D332-T336 PolarHBondContact O-N 3.02Å
333	F	97.1	Very high	94.7	Very high	25 Å²	25	65.8 Å²	65.8	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-54.6	-47.3	173.4	175.3	-95.6	0	0	0	111.5	F114 A118 A122 I150 K329 G330 E331 K335 T336 L337	F114-F333 HydrophobicContact CE1-CB 4.39Å; F114-F333 HydrophobicContact CE1-CD2 4.32Å; F114-F333 HydrophobicContact CZ-CB 4.01Å; F114-F333 HydrophobicContact CZ-CG 4.38Å; A118-F333 HydrophobicContact CB-CD1 3.84Å; A118-F333 HydrophobicContact CB-CD2 4.02Å; A118-F333 HydrophobicContact CB-CE1 3.64Å; A118-F333 HydrophobicContact CB-CE2 3.84Å; A118-F333 HydrophobicContact CB-CG 4.02Å; A118-F333 HydrophobicContact CB-CZ 3.65Å; A122-F333 HydrophobicContact CB-CE1 4.15Å; I150-F333 HydrophobicContact CD1-CD1 3.93Å; I150-F333 HydrophobicContact CD1-CG 4.43Å; I150-F333 HydrophobicContact CG1-CD1 4.11Å; K329-F333 PolarHBondContact O-N 2.68Å; K329-F333 VanDerWaalsContact O-N 3.14Å; G330-F333 PolarHBondContact O-N 2.98Å; E331-F333 PolarHBondContact O-N 3.1Å; F333-K335 VanDerWaalsContact C-N 3.28Å; F333-K335 PolarHBondContact O-N 3.23Å; F333-T336 WeakPolarHBondContact O-CB 3.47Å; F333-T336 PolarHBondContact O-N 3.24Å; F333-T336 PolarHBondContact O-OG1 3.18Å; F333-L337 HydrophobicContact CD1-CD1 4.33Å; F333-L337 HydrophobicContact CE1-CD1 3.87Å; F333-L337 HydrophobicContact CE1-CD2 4.08Å; F333-L337 HydrophobicContact CE1-CG 4.18Å; F333-L337 HydrophobicContact CZ-CD2 4.03Å; F333-L337 PolarHBondContact O-N 3.09Å
334	V	96	Very high	94.4	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.012	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-30.5	-179.5	-179.9	0	0	0	0	112.2	I150 E153 V154 K157 G330 E331 D332 T336 L337	I150-V334 HydrophobicContact CB-CG2 4.01Å; I150-V334 HydrophobicContact CG1-CG2 4.02Å; I150-V334 HydrophobicContact CG2-CG2 3.77Å; E153-V334 HydrophobicContact CB-CB 3.76Å; E153-V334 HydrophobicContact CB-CG1 3.66Å; E153-V334 HydrophobicContact CB-CG2 3.95Å; V154-V334 HydrophobicContact CG2-CG1 4.16Å; V154-V334 HydrophobicContact CG2-CG2 4.13Å; K157-V334 HydrophobicContact CD-CG1 3.96Å; K157-V334 PolarHBondContact NZ-O 2.95Å; G330-V334 PolarHBondContact O-N 3.38Å; E331-V334 PolarHBondContact O-N 3.3Å; D332-V334 VanDerWaalsContact C-N 3.31Å; D332-V334 PolarHBondContact O-N 2.95Å; V334-T336 PolarHBondContact O-N 3.34Å; V334-L337 WeakPolarHBondContact O-CB 3.47Å; V334-L337 PolarHBondContact O-N 3.25Å; V334-L337 VanDerWaalsContact O-N 3.16Å
335	K	93.6	Very high	94.1	Very high	134 Å²	134	69.1 Å²	69.1	58%	0.583	34%	0.344	S	S	*	.	H	α-helix	trans	-65.1	-24.7	173.2	-62.9	172.1	-163.3	157.3	0	112.7	E331 D332 F333	E331-K335 PolarHBondContact O-N 2.9Å; D332-K335 WeakPolarHBondContact O-CB 3.36Å; D332-K335 PolarHBondContact O-N 3.06Å; D332-K335 VanDerWaalsContact O-N 3.13Å; D332-K335 IonicContact OD1-NZ 2.67Å; D332-K335 PolarHBondContact OD1-NZ 2.98Å; F333-K335 VanDerWaalsContact C-N 3.28Å; F333-K335 PolarHBondContact O-N 3.23Å
336	T	93.5	Very high	93.8	Very high	102 Å²	102	69.6 Å²	69.6	63%	0.626	33%	0.331	S	S	*	.	H	α-helix	trans	-80.8	-19.2	174.5	72.2	0	0	0	0	113.7	D332 F333 V334 K338	D332-T336 WeakPolarHBondContact O-CG2 3.28Å; D332-T336 PolarHBondContact O-N 3.02Å; F333-T336 WeakPolarHBondContact O-CB 3.47Å; F333-T336 PolarHBondContact O-N 3.24Å; F333-T336 PolarHBondContact O-OG1 3.18Å; V334-T336 PolarHBondContact O-N 3.34Å; T336-K338 PolarHBondContact O-N 3.15Å
337	L	88.4	Confident	93.5	Very high	59 Å²	59	73.4 Å²	73.4	31%	0.309	35%	0.345	S	S	.	.			trans	-72.4	117.1	175.2	-57.8	179.2	0	0	0	109	A122 K157 F333 V334	A122-L337 HydrophobicContact CB-CD1 3.71Å; K157-L337 PolarHBondContact NZ-O 3.46Å; F333-L337 HydrophobicContact CD1-CD1 4.33Å; F333-L337 HydrophobicContact CE1-CD1 3.87Å; F333-L337 HydrophobicContact CE1-CD2 4.08Å; F333-L337 HydrophobicContact CE1-CG 4.18Å; F333-L337 HydrophobicContact CZ-CD2 4.03Å; F333-L337 PolarHBondContact O-N 3.09Å; V334-L337 WeakPolarHBondContact O-CB 3.47Å; V334-L337 PolarHBondContact O-N 3.25Å; V334-L337 VanDerWaalsContact O-N 3.16Å
338	K	65.2	Low	93	Very high	272 Å²	272	79.6 Å²	79.6	100%	1.183	37%	0.374	S	S	*	.			trans	-66	0	173.6	-67.9	-175.4	179.6	-179.8	0	111.6	T336	T336-K338 PolarHBondContact O-N 3.15Å

Retrieved 338 of 338 residues in 432.8 ms (Link to these results)

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