A0A077Z7X6_TRITR Loading...

Fucosyltransferase AlphaSync

AlphaFold DB , UniProt , Accession A0A077Z7X6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 349 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	33.4	Very low	41.1	Very low	246 Å²	246	141.9 Å²	141.9	100%	1.212	78%	0.778	S	S	*	*				0	107.3	0	-67.7	173.3	-159.4	0	0	105.8
2	I	35.6	Very low	41.8	Very low	169 Å²	169	135.8 Å²	135.8	87%	0.867	75%	0.748	S	S	*	*			trans	-92.7	120.3	167.1	-65.7	170.3	0	0	0	103.5
3	S	32.5	Very low	41.8	Very low	94 Å²	94	138.8 Å²	138.8	66%	0.657	75%	0.753	S	S	*	*			trans	-65.9	140.3	175.5	81	0	0	0	0	108.1	T5	S3-T5 PolarHBondContact O-N 3.26Å; S3-T5 VanDerWaalsContact O-N 3.12Å
4	P	42.7	Very low	42	Very low	121 Å²	121	136.6 Å²	136.6	79%	0.786	75%	0.754	S	S	*	*			trans	-67.7	114.4	171.9	-4.1	20.3	0	0	0	106.6	D6	P4-D6 PolarHBondContact O-N 3.46Å
5	T	41.4	Very low	42	Very low	127 Å²	127	137.5 Å²	137.5	78%	0.779	76%	0.756	S	S	*	*			trans	-57.1	133.6	158.7	46.1	0	0	0	0	107.4	S3 G7	S3-T5 PolarHBondContact O-N 3.26Å; S3-T5 VanDerWaalsContact O-N 3.12Å; T5-G7 PolarHBondContact O-N 3.42Å
6	D	36.9	Very low	42.6	Very low	171 Å²	171	141.4 Å²	141.4	91%	0.914	77%	0.768	S	S	*	*			trans	-58.8	65.9	177.4	-71.3	-46.4	0	0	0	112.7	P4 Q8	P4-D6 PolarHBondContact O-N 3.46Å; D6-Q8 PolarHBondContact O-N 3.29Å
7	G	38.3	Very low	44	Very low	52 Å²	52	137.5 Å²	137.5	54%	0.536	74%	0.742	S	S	.	*			trans	-74	103.8	158	0	0	0	0	0	106.1	T5 F9	T5-G7 PolarHBondContact O-N 3.42Å; G7-F9 VanDerWaalsContact C-N 3.25Å; G7-F9 PolarHBondContact O-N 2.93Å
8	Q	42.4	Very low	46.5	Very low	185 Å²	185	137.4 Å²	137.4	86%	0.864	73%	0.733	S	S	*	*			trans	-57.6	90	173.6	-161.1	166.8	17.5	0	0	108.2	D6 C10	D6-Q8 PolarHBondContact O-N 3.29Å; Q8-C10 PolarHBondContact O-N 3.33Å; Q8-C10 VanDerWaalsContact O-N 3.08Å
9	F	49	Very low	49.1	Very low	138 Å²	138	132.4 Å²	132.4	61%	0.605	71%	0.709	S	S	*	*			trans	-54.4	119.6	165.3	-76	-84.9	0	0	0	105.3	G7 H11	G7-F9 VanDerWaalsContact C-N 3.25Å; G7-F9 PolarHBondContact O-N 2.93Å; F9-H11 PolarHBondContact O-N 3.09Å
10	C	56.3	Low	51.4	Low	66 Å²	66	126.9 Å²	126.9	45%	0.446	68%	0.679	S	S	.	*			trans	-51.8	122.1	173.1	-61.6	0	0	0	0	107	Q8 V12 C310	Q8-C10 PolarHBondContact O-N 3.33Å; Q8-C10 VanDerWaalsContact O-N 3.08Å; C10-V12 HydrophobicContact CB-CG2 4.47Å; C10-V12 PolarHBondContact O-N 3.18Å; C10-C310 HydrophobicContact CB-CB 4.2Å; C10-C310 WeakPolarHBondContact CB-SG 2.99Å
11	H	43.4	Very low	53.6	Low	192 Å²	192	121.5 Å²	121.5	89%	0.889	65%	0.65	S	S	*	*			trans	-62.6	87.5	173.8	-86.2	-76.8	0	0	0	107.4	F9	F9-H11 PolarHBondContact O-N 3.09Å
12	V	50	Low	56.7	Low	69 Å²	69	109.8 Å²	109.8	42%	0.418	59%	0.593	S	S	.	*			trans	-86.8	122	160.9	-167	0	0	0	0	103.3	C10 K17	C10-V12 HydrophobicContact CB-CG2 4.47Å; C10-V12 PolarHBondContact O-N 3.18Å; V12-K17 HydrophobicContact CB-CD 4.45Å; V12-K17 HydrophobicContact CG1-CD 3.85Å; V12-K17 VanDerWaalsContact CG1-NZ 3.3Å; V12-K17 PolarHBondContact O-NZ 2.95Å
13	E	42.1	Very low	59.7	Low	174 Å²	174	101.7 Å²	101.7	81%	0.813	55%	0.551	S	S	*	*			trans	-52.6	139.6	-172.1	-69.2	175.7	157.3	0	0	112.8	N15 K17	E13-N15 PolarHBondContact O-N 3.23Å; E13-K17 WeakPolarHBondContact O-CE 3.27Å; E13-K17 PolarHBondContact O-NZ 3.3Å
14	S	44.3	Very low	62.8	Low	109 Å²	109	97.5 Å²	97.5	76%	0.762	52%	0.521	S	S	*	.	S	Bend	trans	-80.7	91	-179.4	53.7	0	0	0	0	110.7
15	N	41.1	Very low	65.4	Low	149 Å²	149	92.6 Å²	92.6	80%	0.797	49%	0.487	S	S	*	.	S	Bend	trans	-161.7	125.3	150.8	-97.6	-17.8	0	0	0	109.3	E13 K17	E13-N15 PolarHBondContact O-N 3.23Å; N15-K17 PolarHBondContact O-N 2.89Å
16	E	51.7	Low	67.9	Low	201 Å²	201	87.3 Å²	87.3	94%	0.939	46%	0.455	S	S	*	.			trans	42.3	50.9	166.1	-63.8	-173.9	159.6	0	0	119	K18	E16-K18 PolarHBondContact O-N 3.41Å
17	K	67.6	Low	70.6	Confident	75 Å²	75	81 Å²	81	33%	0.326	42%	0.421	S	S	.	.			trans	-72.5	133.5	177.1	-72.4	178.8	-157.2	146.4	0	113.6	V12 E13 N15 N45	V12-K17 HydrophobicContact CB-CD 4.45Å; V12-K17 HydrophobicContact CG1-CD 3.85Å; V12-K17 VanDerWaalsContact CG1-NZ 3.3Å; V12-K17 PolarHBondContact O-NZ 2.95Å; E13-K17 WeakPolarHBondContact O-CE 3.27Å; E13-K17 PolarHBondContact O-NZ 3.3Å; N15-K17 PolarHBondContact O-N 2.89Å; K17-N45 PolarHBondContact O-ND2 3.17Å
18	K	89.1	Confident	73	Confident	136 Å²	136	78.8 Å²	78.8	59%	0.591	40%	0.396	S	S	*	.			trans	-45.4	135.2	161.9	-171.3	177.9	179	-179.7	0	110.1	E16 E57	E16-K18 PolarHBondContact O-N 3.41Å; K18-E57 IonicContact NZ-OE2 2.63Å; K18-E57 PolarHBondContact NZ-OE2 3.31Å
19	P	94.9	Very high	75	Confident	41 Å²	41	78 Å²	78	27%	0.266	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-61.7	145.6	178.4	24.7	-34.5	0	0	0	111.3	L21 N45 R47	P19-L21 PolarHBondContact O-N 3Å; P19-N45 VanDerWaalsContact CA-O 3.25Å; P19-N45 WeakPolarHBondContact CA-O 3.43Å; P19-R47 HydrophobicContact CB-CB 3.84Å; P19-R47 HydrophobicContact CG-CB 4.16Å
20	I	96.4	Very high	76.3	Confident	22 Å²	22	75.2 Å²	75.2	11%	0.113	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	121.3	169.2	-70.1	-177.4	0	0	0	108	N45 C46 R47 A59 L305 R306	I20-N45 PolarHBondContact N-O 3.19Å; I20-N45 VanDerWaalsContact N-O 3.11Å; I20-C46 CarbonylContact O-C 3.53Å; I20-C46 VanDerWaalsContact O-CA 3.28Å; I20-C46 WeakPolarHBondContact O-CA 3.45Å; I20-R47 PolarHBondContact O-N 2.92Å; I20-A59 HydrophobicContact CG2-CB 3.54Å; I20-L305 HydrophobicContact CD1-CB 4.46Å; I20-L305 HydrophobicContact CG2-CB 3.99Å; I20-L305 HydrophobicContact CG2-CD1 4.04Å; I20-R306 VanDerWaalsContact CD1-CD 3.48Å; I20-R306 HydrophobicContact CD1-CG 3.96Å
21	L	97.7	Very high	77.3	Confident	14 Å²	14	75 Å²	75	7%	0.073	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	131.8	-178.6	-62.6	-177.4	0	0	0	111.2	P19 R47 L54 E57 A59	P19-L21 PolarHBondContact O-N 3Å; L21-R47 WeakPolarHBondContact CA-O 3.32Å; L21-R47 HydrophobicContact CD2-CB 4.13Å; L21-R47 HydrophobicContact CD2-CG 4.42Å; L21-L54 HydrophobicContact CD1-CB 4.37Å; L21-L54 HydrophobicContact CD1-CD1 4.15Å; L21-E57 HydrophobicContact CD1-CB 4.03Å; L21-A59 PolarHBondContact O-N 3.22Å
22	I	98.3	Very high	79.2	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	112.2	171.2	-59.2	171.9	0	0	0	106.4	I24 C46 R47 L48 T49 A60 V62 L301 L305	I22-I24 HydrophobicContact CG2-CD1 4.21Å; I22-C46 HydrophobicContact CD1-CB 4.01Å; I22-R47 PolarHBondContact N-O 3.19Å; I22-L48 HydrophobicContact CB-CD2 3.71Å; I22-L48 HydrophobicContact CD1-CD2 4.14Å; I22-L48 HydrophobicContact CG2-CD2 3.66Å; I22-L48 WeakPolarHBondContact O-CA 3.37Å; I22-T49 PolarHBondContact O-N 3.27Å; I22-A60 HydrophobicContact CG2-CB 4.34Å; I22-V62 HydrophobicContact CG2-CG2 3.7Å; I22-L301 HydrophobicContact CD1-CD2 4.1Å; I22-L301 HydrophobicContact CD1-CG 4.15Å; I22-L301 HydrophobicContact CG2-CD2 3.89Å; I22-L305 HydrophobicContact CD1-CD1 3.89Å; I22-L305 HydrophobicContact CG1-CD1 3.54Å
23	L	97.8	Very high	81.1	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	118.5	177.3	177.8	57.6	0	0	0	109.7	W25 T49 D51 F55 S58 A60 V61 V62	L23-W25 HydrophobicContact CD2-CE3 3.74Å; L23-W25 HydrophobicContact CD2-CZ3 4.1Å; L23-W25 HydrophobicContact CG-CE3 4.35Å; L23-W25 PolarHBondContact O-N 2.69Å; L23-T49 WeakPolarHBondContact CA-O 3.05Å; L23-T49 HydrophobicContact CB-CG2 4.38Å; L23-T49 HydrophobicContact CD1-CG2 4.1Å; L23-D51 WeakPolarHBondContact CD1-O 3.33Å; L23-F55 HydrophobicContact CD2-CB 3.93Å; L23-F55 HydrophobicContact CD2-CD2 4.09Å; L23-S58 WeakPolarHBondContact CB-OG 3.38Å; L23-A60 PolarHBondContact N-O 2.82Å; L23-V61 HydrophobicContact CB-CG2 4.37Å; L23-V61 HydrophobicContact CD2-CG1 4.35Å; L23-V61 HydrophobicContact CD2-CG2 4.4Å; L23-V61 HydrophobicContact CG-CG1 4.37Å; L23-V61 CarbonylContact O-C 3.56Å; L23-V61 VanDerWaalsContact O-CA 3.28Å; L23-V61 WeakPolarHBondContact O-CA 3.3Å; L23-V62 PolarHBondContact O-N 3.38Å
24	I	97.5	Very high	83.5	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	99.5	168.2	-53.1	-55.5	0	0	0	107	I22 D27 V33 L48 T49 F50 V62 M298	I22-I24 HydrophobicContact CG2-CD1 4.21Å; I24-D27 HydrophobicContact CG2-CB 4.31Å; I24-V33 HydrophobicContact CD1-CG1 4.14Å; I24-V33 HydrophobicContact CG1-CG1 4.19Å; I24-L48 HydrophobicContact CD1-CD2 3.92Å; I24-L48 HydrophobicContact CG1-CD2 4.29Å; I24-T49 PolarHBondContact N-O 3.34Å; I24-F50 HydrophobicContact CB-CD1 3.84Å; I24-F50 HydrophobicContact CB-CE1 3.57Å; I24-F50 HydrophobicContact CB-CZ 4.06Å; I24-F50 HydrophobicContact CG1-CE1 4.26Å; I24-F50 HydrophobicContact CG1-CZ 4.25Å; I24-F50 HydrophobicContact CG2-CD1 4.04Å; I24-F50 HydrophobicContact CG2-CE1 3.44Å; I24-F50 VanDerWaalsContact CG2-CE1 3.44Å; I24-F50 HydrophobicContact CG2-CZ 4.1Å; I24-V62 HydrophobicContact CD1-CB 3.82Å; I24-V62 HydrophobicContact CD1-CG1 4.36Å; I24-V62 HydrophobicContact CD1-CG2 3.93Å; I24-M298 HydrophobicContact CD1-CE 4.42Å
25	W	96.9	Very high	85.9	Confident	18 Å²	18	62.1 Å²	62.1	7%	0.068	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-39.5	-178.9	-170	-89.8	0	0	0	111.8	L23 R52 F55 V61 V62 F63 D72 P74	L23-W25 HydrophobicContact CD2-CE3 3.74Å; L23-W25 HydrophobicContact CD2-CZ3 4.1Å; L23-W25 HydrophobicContact CG-CE3 4.35Å; L23-W25 PolarHBondContact O-N 2.69Å; W25-R52 HydrophobicContact CE3-CG 3.99Å; W25-R52 HydrophobicContact CH2-CB 4.29Å; W25-R52 HydrophobicContact CH2-CG 4.15Å; W25-R52 HydrophobicContact CZ3-CB 3.91Å; W25-R52 HydrophobicContact CZ3-CG 3.75Å; W25-R52 PolarHBondContact O-NH2 3.14Å; W25-F55 HydrophobicContact CE3-CD2 4.43Å; W25-F55 HydrophobicContact CZ3-CD2 4.1Å; W25-V61 HydrophobicContact CB-CG1 3.57Å; W25-V61 HydrophobicContact CD2-CG1 4.43Å; W25-V61 HydrophobicContact CE3-CG1 4.22Å; W25-V61 HydrophobicContact CG-CG1 4.21Å; W25-V62 PolarHBondContact N-O 3.21Å; W25-F63 HydrophobicContact CB-CD1 3.96Å; W25-F63 HydrophobicContact CB-CE1 3.78Å; W25-F63 HydrophobicContact CB-CZ 4.33Å; W25-F63 AromaticContact CD1-CD1 3.8Å; W25-F63 AromaticContact CD1-CE1 3.51Å; W25-F63 HydrophobicContact CD2-CE1 4.38Å; W25-F63 HydrophobicContact CG-CD1 4.06Å; W25-F63 AromaticContact CG-CE1 3.6Å; W25-F63 HydrophobicContact CG-CE1 3.6Å; W25-F63 HydrophobicContact CG-CZ 4.35Å; W25-D72 PolarHBondContact NE1-O 3Å; W25-P74 HydrophobicContact CD2-CG 3.9Å; W25-P74 HydrophobicContact CE3-CG 3.97Å; W25-P74 HydrophobicContact CH2-CB 4.12Å; W25-P74 HydrophobicContact CH2-CG 4.06Å; W25-P74 HydrophobicContact CZ2-CB 4.33Å; W25-P74 HydrophobicContact CZ2-CG 3.99Å; W25-P74 HydrophobicContact CZ3-CB 4.32Å; W25-P74 HydrophobicContact CZ3-CG 4.05Å
26	V	95	Very high	88.4	Confident	16 Å²	16	61 Å²	61	10%	0.097	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	115.9	174.6	-172.3	0	0	0	0	107.8	V62 F63 Y64 A67 I68	V26-V62 PolarHBondContact N-O 3.27Å; V26-F63 HydrophobicContact CG2-CD1 4.17Å; V26-Y64 PolarHBondContact O-N 3.26Å; V26-A67 VanDerWaalsContact CG1-C 3.48Å; V26-A67 HydrophobicContact CG1-CB 3.4Å; V26-A67 VanDerWaalsContact CG1-CB 3.4Å; V26-I68 HydrophobicContact CG2-CB 4.2Å; V26-I68 HydrophobicContact CG2-CG1 4.41Å
27	D	92.8	Very high	90.4	Very high	38 Å²	38	51.7 Å²	51.7	20%	0.203	25%	0.248	C	C	.	.			trans	-71.4	157.7	-178.8	-158.7	10.8	0	0	0	112.1	I24 H32 V33 F50 Y64	I24-D27 HydrophobicContact CG2-CB 4.31Å; D27-H32 IonicContact OD2-CG 3.09Å; D27-H32 IonicContact OD2-ND1 3.91Å; D27-H32 PolarHBondContact OD2-ND1 3.48Å; D27-V33 WeakPolarHBondContact OD1-CB 3.45Å; D27-V33 WeakPolarHBondContact OD1-CG2 3.34Å; D27-V33 PolarHBondContact OD1-N 2.98Å; D27-V33 VanDerWaalsContact OD1-N 3.1Å; D27-F50 HydrophobicContact CB-CE1 3.89Å; D27-Y64 WeakPolarHBondContact O-CB 3.26Å; D27-Y64 WeakPolarHBondContact O-CD1 3.41Å
28	Y	89	Confident	91.8	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.027	24%	0.235	C	C	.	.			trans	-67.9	137.1	171	-176.6	-122.5	0	0	0	109.8	D30 D31 Y64 F87 M89 F290 I294	Y28-D30 HydrophobicContact CD1-CB 4.38Å; Y28-D30 HydrophobicContact CE1-CB 3.59Å; Y28-D30 PolarHBondContact OH-OD2 2.91Å; Y28-D31 CarbonylContact C-O 3.52Å; Y28-D31 WeakPolarHBondContact CB-O 3.23Å; Y28-D31 HydrophobicContact CD1-CB 3.93Å; Y28-D31 VanDerWaalsContact CD1-N 3.31Å; Y28-D31 HydrophobicContact CE1-CB 4.19Å; Y28-Y64 HydrophobicContact CD2-CD1 4.1Å; Y28-Y64 AromaticContact CD2-CD2 3.75Å; Y28-Y64 HydrophobicContact CD2-CD2 3.75Å; Y28-Y64 AromaticContact CD2-CE1 3.72Å; Y28-Y64 HydrophobicContact CD2-CE1 3.72Å; Y28-Y64 AromaticContact CD2-CE2 3.38Å; Y28-Y64 HydrophobicContact CD2-CE2 3.38Å; Y28-Y64 HydrophobicContact CD2-CG 4.12Å; Y28-Y64 AromaticContact CD2-CZ 3.35Å; Y28-Y64 HydrophobicContact CE2-CD2 4.42Å; Y28-Y64 HydrophobicContact CE2-CE1 4.15Å; Y28-Y64 AromaticContact CE2-CE2 3.62Å; Y28-Y64 HydrophobicContact CE2-CE2 3.62Å; Y28-Y64 AromaticContact CE2-CZ 3.44Å; Y28-Y64 VanDerWaalsContact CE2-CZ 3.44Å; Y28-Y64 VanDerWaalsContact CE2-OH 3.31Å; Y28-Y64 WeakPolarHBondContact CE2-OH 3.43Å; Y28-F87 AromaticContact CD2-CE1 3.9Å; Y28-F87 HydrophobicContact CD2-CE1 3.9Å; Y28-F87 HydrophobicContact CD2-CZ 4.24Å; Y28-F87 HydrophobicContact CG-CE1 4.12Å; Y28-M89 HydrophobicContact CD2-CG 4.43Å; Y28-M89 HydrophobicContact CE2-CB 4.04Å; Y28-M89 HydrophobicContact CE2-CG 3.72Å; Y28-F290 HydrophobicContact CE1-CE2 4.24Å; Y28-F290 AromaticContact CE1-CZ 3.96Å; Y28-F290 HydrophobicContact CE1-CZ 3.96Å; Y28-I294 HydrophobicContact CD1-CD1 3.95Å; Y28-I294 HydrophobicContact CE1-CD1 3.82Å
29	R	83.5	Confident	92.1	Very high	168 Å²	168	45.4 Å²	45.4	63%	0.634	23%	0.23	S	C	*	.	S	Bend	trans	-78.9	-31.5	-174.5	-76.8	-175.7	172.4	169.6	3.2	113.9	Y64 A66 A67	R29-Y64 HydrophobicContact CB-CE1 4.01Å; R29-Y64 HydrophobicContact CG-CD1 4.26Å; R29-Y64 HydrophobicContact CG-CE1 4.04Å; R29-A66 PolarHBondContact NH1-O 3.36Å; R29-A66 PolarHBondContact NH2-O 2.91Å; R29-A66 VanDerWaalsContact NH2-O 3.09Å; R29-A67 HydrophobicContact CG-CB 3.87Å
30	D	77.2	Confident	92	Very high	79 Å²	79	47.2 Å²	47.2	42%	0.422	24%	0.244	S	C	.	.	S	Bend	trans	-91.7	-5.3	-172.6	-52.8	-64.5	0	0	0	112.9	Y28	Y28-D30 HydrophobicContact CD1-CB 4.38Å; Y28-D30 HydrophobicContact CE1-CB 3.59Å; Y28-D30 PolarHBondContact OH-OD2 2.91Å
31	D	77.4	Confident	92	Very high	63 Å²	63	46.5 Å²	46.5	34%	0.337	24%	0.24	S	C	.	.	S	Bend	trans	-162.1	155.8	169.2	-168.6	16.6	0	0	0	110.7	Y28 Y37	Y28-D31 CarbonylContact C-O 3.52Å; Y28-D31 WeakPolarHBondContact CB-O 3.23Å; Y28-D31 HydrophobicContact CD1-CB 3.93Å; Y28-D31 VanDerWaalsContact CD1-N 3.31Å; Y28-D31 HydrophobicContact CE1-CB 4.19Å; D31-Y37 PolarHBondContact OD2-OH 3.15Å
32	H	84	Confident	91.9	Very high	133 Å²	133	48.3 Å²	48.3	62%	0.616	26%	0.262	S	S	*	.			trans	-83.9	119.5	175.3	-71.8	-52.3	0	0	0	111.6	D27 T34	D27-H32 IonicContact OD2-CG 3.09Å; D27-H32 IonicContact OD2-ND1 3.91Å; D27-H32 PolarHBondContact OD2-ND1 3.48Å; H32-T34 PolarHBondContact O-N 3.15Å
33	V	88.4	Confident	91.7	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	30%	0.296	C	S	.	.			trans	-73.2	98.5	-179.6	176.3	0	0	0	0	110.8	I24 D27 Y37 L48 F50 M298	I24-V33 HydrophobicContact CD1-CG1 4.14Å; I24-V33 HydrophobicContact CG1-CG1 4.19Å; D27-V33 WeakPolarHBondContact OD1-CB 3.45Å; D27-V33 WeakPolarHBondContact OD1-CG2 3.34Å; D27-V33 PolarHBondContact OD1-N 2.98Å; D27-V33 VanDerWaalsContact OD1-N 3.1Å; V33-Y37 HydrophobicContact CB-CD2 4.35Å; V33-Y37 HydrophobicContact CG1-CD2 4.07Å; V33-L48 HydrophobicContact CG1-CD1 3.62Å; V33-F50 HydrophobicContact CB-CZ 4.43Å; V33-F50 WeakPolarHBondContact O-CE2 3.33Å; V33-F50 WeakPolarHBondContact O-CZ 3.4Å; V33-M298 HydrophobicContact CG1-CE 3.8Å; V33-M298 HydrophobicContact CG2-CE 4.45Å
34	T	92.3	Very high	91.6	Very high	70 Å²	70	57 Å²	57	43%	0.429	30%	0.304	S	S	.	.			trans	-101.9	169.6	176.2	71.8	0	0	0	0	112.9	H32 E36 Y37 L48	H32-T34 PolarHBondContact O-N 3.15Å; T34-E36 PolarHBondContact O-N 3.32Å; T34-E36 WeakPolarHBondContact OG1-CB 3.44Å; T34-E36 PolarHBondContact OG1-N 3.42Å; T34-Y37 WeakPolarHBondContact O-CB 3.47Å; T34-Y37 WeakPolarHBondContact O-CD2 3.37Å; T34-Y37 PolarHBondContact O-N 3.49Å; T34-L48 WeakPolarHBondContact O-CD1 3.32Å
35	N	95	Very high	91.6	Very high	68 Å²	68	59.7 Å²	59.7	36%	0.364	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-58.1	-16.5	173.8	-78.5	-74.4	0	0	0	113.7	Y37 L38 R47 L48	N35-Y37 PolarHBondContact O-N 3.3Å; N35-L38 PolarHBondContact O-N 3.1Å; N35-R47 WeakPolarHBondContact OD1-CA 3.2Å; N35-L48 PolarHBondContact ND2-O 2.93Å; N35-L48 VanDerWaalsContact ND2-O 3.11Å; N35-L48 PolarHBondContact OD1-N 3.41Å
36	E	93.7	Very high	91.6	Very high	125 Å²	125	59.7 Å²	59.7	58%	0.584	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-51.4	-34.6	168.4	-173.1	77.9	-160.9	0	0	111.4	T34 L38 S39 H295	T34-E36 PolarHBondContact O-N 3.32Å; T34-E36 WeakPolarHBondContact OG1-CB 3.44Å; T34-E36 PolarHBondContact OG1-N 3.42Å; E36-L38 PolarHBondContact O-N 3.36Å; E36-L38 VanDerWaalsContact O-N 3.16Å; E36-S39 WeakPolarHBondContact O-CB 3.43Å; E36-S39 PolarHBondContact O-N 3.17Å; E36-S39 PolarHBondContact O-OG 2.98Å; E36-H295 PolarHBondContact O-CE1 3.33Å; E36-H295 PolarHBondContact O-ND1 2.81Å
37	Y	94.3	Very high	91.8	Very high	5 Å²	5	65.4 Å²	65.4	2%	0.02	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-63	-21.3	179.3	-79.4	-67.3	0	0	0	114.2	D31 V33 T34 N35 P291 I294 H295	D31-Y37 PolarHBondContact OD2-OH 3.15Å; V33-Y37 HydrophobicContact CB-CD2 4.35Å; V33-Y37 HydrophobicContact CG1-CD2 4.07Å; T34-Y37 WeakPolarHBondContact O-CB 3.47Å; T34-Y37 WeakPolarHBondContact O-CD2 3.37Å; T34-Y37 PolarHBondContact O-N 3.49Å; N35-Y37 PolarHBondContact O-N 3.3Å; Y37-P291 HydrophobicContact CE1-CB 3.79Å; Y37-P291 HydrophobicContact CE1-CG 3.88Å; Y37-P291 WeakPolarHBondContact OH-CB 3.32Å; Y37-P291 VanDerWaalsContact OH-CG 3.3Å; Y37-P291 WeakPolarHBondContact OH-CG 3.5Å; Y37-I294 HydrophobicContact CD1-CB 3.87Å; Y37-I294 HydrophobicContact CD1-CG2 3.55Å; Y37-I294 HydrophobicContact CE1-CB 3.57Å; Y37-I294 HydrophobicContact CE1-CG2 3.55Å; Y37-I294 HydrophobicContact CG-CG2 4.04Å; Y37-H295 WeakPolarHBondContact CA-ND1 3.42Å; Y37-H295 HydrophobicContact CD1-CB 4.4Å; Y37-H295 AromaticContact CD1-CD2 3.45Å; Y37-H295 VanDerWaalsContact CD1-CD2 3.45Å; Y37-H295 WeakPolarHBondContact CD1-CD2 3.44Å; Y37-H295 AromaticContact CD1-CG 3.69Å; Y37-H295 AromaticContact CD1-NE2 3.8Å; Y37-H295 AromaticContact CE1-CD2 3.63Å; Y37-H295 AromaticContact CE1-NE2 3.92Å; Y37-H295 WeakPolarHBondContact O-CA 3.44Å; Y37-H295 PolarHBondContact O-ND1 2.89Å
38	L	96.8	Very high	92	Very high	11 Å²	11	63.8 Å²	63.8	6%	0.058	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-95.3	-1.9	175.8	-65.3	172.9	0	0	0	113.4	N35 E36 S40 C41 G42 C46 L48 M298 C302	N35-L38 PolarHBondContact O-N 3.1Å; E36-L38 PolarHBondContact O-N 3.36Å; E36-L38 VanDerWaalsContact O-N 3.16Å; L38-S40 PolarHBondContact O-N 3.21Å; L38-C41 CarbonylContact O-C 3.45Å; L38-C41 PolarHBondContact O-N 2.87Å; L38-C41 PolarHBondContact O-SG 3.32Å; L38-G42 PolarHBondContact O-N 2.98Å; L38-C46 HydrophobicContact CD1-CB 3.91Å; L38-C46 WeakPolarHBondContact CD1-O 2.9Å; L38-L48 HydrophobicContact CD1-CD1 4.37Å; L38-L48 HydrophobicContact CD1-CD2 4.32Å; L38-L48 HydrophobicContact CD1-CG 3.8Å; L38-L48 HydrophobicContact CG-CD1 4.36Å; L38-L48 HydrophobicContact CG-CG 4.28Å; L38-M298 HydrophobicContact CD2-CB 3.94Å; L38-C302 HydrophobicContact CD2-CB 4.14Å
39	S	94.9	Very high	92.4	Very high	68 Å²	68	64.2 Å²	64.2	48%	0.476	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-57	-26.6	-176.3	57.9	0	0	0	0	114.5	E36 C41	E36-S39 WeakPolarHBondContact O-CB 3.43Å; E36-S39 PolarHBondContact O-N 3.17Å; E36-S39 PolarHBondContact O-OG 2.98Å; S39-C41 VanDerWaalsContact C-N 3.29Å; S39-C41 PolarHBondContact O-N 3.39Å
40	S	93.2	Very high	93	Very high	80 Å²	80	60.8 Å²	60.8	56%	0.559	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-83.2	-3	-179.3	-58.1	0	0	0	0	114	L38	L38-S40 PolarHBondContact O-N 3.21Å
41	C	96.7	Very high	93.9	Very high	6 Å²	6	60.3 Å²	60.3	4%	0.041	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-145.8	38.3	-179.2	55.5	0	0	0	0	111.7	L38 S39 E43 L44 C299	L38-C41 CarbonylContact O-C 3.45Å; L38-C41 PolarHBondContact O-N 2.87Å; L38-C41 PolarHBondContact O-SG 3.32Å; S39-C41 VanDerWaalsContact C-N 3.29Å; S39-C41 PolarHBondContact O-N 3.39Å; C41-E43 WeakPolarHBondContact CA-OE1 3.49Å; C41-E43 VanDerWaalsContact CA-OE2 3.23Å; C41-E43 WeakPolarHBondContact CA-OE2 3.39Å; C41-E43 PolarHBondContact O-N 2.75Å; C41-E43 VanDerWaalsContact O-N 3.13Å; C41-L44 HydrophobicContact CB-CD1 3.81Å; C41-L44 HydrophobicContact CB-CG 4.19Å; C41-L44 WeakPolarHBondContact O-CB 3.38Å; C41-L44 PolarHBondContact O-N 2.96Å; C41-C299 HydrophobicContact CB-CB 3.71Å; C41-C299 WeakPolarHBondContact CB-SG 3.15Å; C41-C299 WeakPolarHBondContact SG-CA 3.39Å; C41-C299 WeakPolarHBondContact SG-CB 3.41Å; C41-C299 CovalentContact SG-SG 2.04Å; C41-C299 PolarHBondContact SG-SG 3.24Å
42	G	94.9	Very high	94.8	Very high	52 Å²	52	62 Å²	62	54%	0.536	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-58.1	-26	-177	0	0	0	0	0	113.8	L38 L44 N45	L38-G42 PolarHBondContact O-N 2.98Å; G42-L44 PolarHBondContact O-N 3.2Å; G42-N45 PolarHBondContact O-N 2.71Å
43	E	95.2	Very high	95.4	Very high	151 Å²	151	63.8 Å²	63.8	71%	0.706	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-61	-24.8	173.9	72.6	-72.7	172.6	0	0	113.5	C41 N45	C41-E43 WeakPolarHBondContact CA-OE1 3.49Å; C41-E43 VanDerWaalsContact CA-OE2 3.23Å; C41-E43 WeakPolarHBondContact CA-OE2 3.39Å; C41-E43 PolarHBondContact O-N 2.75Å; C41-E43 VanDerWaalsContact O-N 3.13Å; E43-N45 VanDerWaalsContact C-N 3.26Å; E43-N45 PolarHBondContact O-N 3.08Å
44	L	95.6	Very high	95.7	Very high	31 Å²	31	65.7 Å²	65.7	16%	0.162	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-78.6	-8.6	175.3	-57.5	177.9	0	0	0	112.4	C41 G42 C46 C302 A303 R306	C41-L44 HydrophobicContact CB-CD1 3.81Å; C41-L44 HydrophobicContact CB-CG 4.19Å; C41-L44 WeakPolarHBondContact O-CB 3.38Å; C41-L44 PolarHBondContact O-N 2.96Å; G42-L44 PolarHBondContact O-N 3.2Å; L44-C46 PolarHBondContact O-N 3.01Å; L44-C302 HydrophobicContact CB-CB 4.46Å; L44-C302 WeakPolarHBondContact CB-SG 3.38Å; L44-C302 HydrophobicContact CD1-CB 4.17Å; L44-A303 HydrophobicContact CD1-CB 3.87Å; L44-R306 PolarHBondContact O-NE 3.33Å; L44-R306 PolarHBondContact O-NH2 3.35Å
45	N	96.2	Very high	95.9	Very high	63 Å²	63	62.9 Å²	62.9	34%	0.337	33%	0.325	S	S	.	.			trans	49.2	47.6	171.1	-178.4	30.9	0	0	0	114	K17 P19 I20 G42 E43 R306	K17-N45 PolarHBondContact O-ND2 3.17Å; P19-N45 VanDerWaalsContact CA-O 3.25Å; P19-N45 WeakPolarHBondContact CA-O 3.43Å; I20-N45 PolarHBondContact N-O 3.19Å; I20-N45 VanDerWaalsContact N-O 3.11Å; G42-N45 PolarHBondContact O-N 2.71Å; E43-N45 VanDerWaalsContact C-N 3.26Å; E43-N45 PolarHBondContact O-N 3.08Å; N45-R306 VanDerWaalsContact C-NH2 3.34Å; N45-R306 VanDerWaalsContact CB-NH2 3.31Å; N45-R306 PolarHBondContact O-NH2 2.79Å
46	C	97.9	Very high	95.9	Very high	18 Å²	18	64.5 Å²	64.5	12%	0.122	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	160.9	166.2	-62.1	0	0	0	0	110.6	I20 I22 L38 L44 C302	I20-C46 CarbonylContact O-C 3.53Å; I20-C46 VanDerWaalsContact O-CA 3.28Å; I20-C46 WeakPolarHBondContact O-CA 3.45Å; I22-C46 HydrophobicContact CD1-CB 4.01Å; L38-C46 HydrophobicContact CD1-CB 3.91Å; L38-C46 WeakPolarHBondContact CD1-O 2.9Å; L44-C46 PolarHBondContact O-N 3.01Å; C46-C302 HydrophobicContact CB-CB 3.8Å; C46-C302 WeakPolarHBondContact CB-SG 3.34Å; C46-C302 WeakPolarHBondContact SG-CA 3.22Å; C46-C302 WeakPolarHBondContact SG-CB 3.29Å; C46-C302 CovalentContact SG-SG 2.02Å; C46-C302 PolarHBondContact SG-SG 2.96Å
47	R	97.8	Very high	95.9	Very high	135 Å²	135	63.4 Å²	63.4	51%	0.509	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.5	174.7	178.3	179.9	167.3	101.6	-0.8	110.4	P19 I20 L21 I22 N35	P19-R47 HydrophobicContact CB-CB 3.84Å; P19-R47 HydrophobicContact CG-CB 4.16Å; I20-R47 PolarHBondContact O-N 2.92Å; L21-R47 WeakPolarHBondContact CA-O 3.32Å; L21-R47 HydrophobicContact CD2-CB 4.13Å; L21-R47 HydrophobicContact CD2-CG 4.42Å; I22-R47 PolarHBondContact N-O 3.19Å; N35-R47 WeakPolarHBondContact OD1-CA 3.2Å
48	L	97.8	Very high	96	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.9	170.4	-61	172.3	0	0	0	109.7	I22 I24 V33 T34 N35 L38 M298	I22-L48 HydrophobicContact CB-CD2 3.71Å; I22-L48 HydrophobicContact CD1-CD2 4.14Å; I22-L48 HydrophobicContact CG2-CD2 3.66Å; I22-L48 WeakPolarHBondContact O-CA 3.37Å; I24-L48 HydrophobicContact CD1-CD2 3.92Å; I24-L48 HydrophobicContact CG1-CD2 4.29Å; V33-L48 HydrophobicContact CG1-CD1 3.62Å; T34-L48 WeakPolarHBondContact O-CD1 3.32Å; N35-L48 PolarHBondContact ND2-O 2.93Å; N35-L48 VanDerWaalsContact ND2-O 3.11Å; N35-L48 PolarHBondContact OD1-N 3.41Å; L38-L48 HydrophobicContact CD1-CD1 4.37Å; L38-L48 HydrophobicContact CD1-CD2 4.32Å; L38-L48 HydrophobicContact CD1-CG 3.8Å; L38-L48 HydrophobicContact CG-CD1 4.36Å; L38-L48 HydrophobicContact CG-CG 4.28Å; L48-M298 HydrophobicContact CD2-SD 4.28Å
49	T	97	Very high	96	Very high	16 Å²	16	63.8 Å²	63.8	10%	0.098	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.3	174.2	-174.5	0	0	0	0	110.6	I22 L23 I24 D51 L54	I22-T49 PolarHBondContact O-N 3.27Å; L23-T49 WeakPolarHBondContact CA-O 3.05Å; L23-T49 HydrophobicContact CB-CG2 4.38Å; L23-T49 HydrophobicContact CD1-CG2 4.1Å; I24-T49 PolarHBondContact N-O 3.34Å; T49-D51 PolarHBondContact OG1-N 3.17Å; T49-D51 VanDerWaalsContact OG1-N 3.15Å; T49-L54 HydrophobicContact CG2-CB 4.46Å; T49-L54 HydrophobicContact CG2-CD1 4.21Å
50	F	96.5	Very high	96.1	Very high	96 Å²	96	60.5 Å²	60.5	42%	0.421	31%	0.311	S	S	.	.			trans	-110	-1.8	171.9	-66	-90.7	0	0	0	111.8	I24 D27 V33 R52	I24-F50 HydrophobicContact CB-CD1 3.84Å; I24-F50 HydrophobicContact CB-CE1 3.57Å; I24-F50 HydrophobicContact CB-CZ 4.06Å; I24-F50 HydrophobicContact CG1-CE1 4.26Å; I24-F50 HydrophobicContact CG1-CZ 4.25Å; I24-F50 HydrophobicContact CG2-CD1 4.04Å; I24-F50 HydrophobicContact CG2-CE1 3.44Å; I24-F50 VanDerWaalsContact CG2-CE1 3.44Å; I24-F50 HydrophobicContact CG2-CZ 4.1Å; D27-F50 HydrophobicContact CB-CE1 3.89Å; V33-F50 HydrophobicContact CB-CZ 4.43Å; V33-F50 WeakPolarHBondContact O-CE2 3.33Å; V33-F50 WeakPolarHBondContact O-CZ 3.4Å; F50-R52 PolarHBondContact O-N 3.37Å; F50-R52 VanDerWaalsContact O-N 3.1Å
51	D	96.8	Very high	96.4	Very high	70 Å²	70	56.7 Å²	56.7	37%	0.374	29%	0.285	S	S	.	.			trans	-74	103.2	178.8	-175.3	-1.5	0	0	0	110.2	L23 T49 Q53 L54	L23-D51 WeakPolarHBondContact CD1-O 3.33Å; T49-D51 PolarHBondContact OG1-N 3.17Å; T49-D51 VanDerWaalsContact OG1-N 3.15Å; D51-Q53 PolarHBondContact O-N 3.49Å; D51-Q53 VanDerWaalsContact OD1-CB 3.22Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.44Å; D51-Q53 WeakPolarHBondContact OD1-CG 3.34Å; D51-Q53 PolarHBondContact OD1-N 3.4Å; D51-L54 HydrophobicContact CB-CD1 4.11Å; D51-L54 HydrophobicContact CB-CG 4.21Å; D51-L54 WeakPolarHBondContact O-CB 3.23Å; D51-L54 PolarHBondContact O-N 2.9Å
52	R	95.7	Very high	96.4	Very high	98 Å²	98	56.5 Å²	56.5	37%	0.37	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-63.3	-18	179.3	-65.5	-176.8	174.9	-172.5	-4.5	113	W25 F50 L54 F55 D72	W25-R52 HydrophobicContact CE3-CG 3.99Å; W25-R52 HydrophobicContact CH2-CB 4.29Å; W25-R52 HydrophobicContact CH2-CG 4.15Å; W25-R52 HydrophobicContact CZ3-CB 3.91Å; W25-R52 HydrophobicContact CZ3-CG 3.75Å; W25-R52 PolarHBondContact O-NH2 3.14Å; F50-R52 PolarHBondContact O-N 3.37Å; F50-R52 VanDerWaalsContact O-N 3.1Å; R52-L54 PolarHBondContact O-N 2.88Å; R52-F55 WeakPolarHBondContact O-CB 3.32Å; R52-F55 PolarHBondContact O-N 2.94Å; R52-D72 IonicContact CZ-OD1 3.91Å; R52-D72 IonicContact CZ-OD2 3.66Å; R52-D72 VanDerWaalsContact CZ-OD2 3.25Å; R52-D72 IonicContact NH1-OD1 3.06Å; R52-D72 PolarHBondContact NH1-OD1 3.43Å; R52-D72 IonicContact NH1-OD2 2.7Å; R52-D72 PolarHBondContact NH1-OD2 3.21Å; R52-D72 IonicContact NH2-OD1 2.9Å; R52-D72 IonicContact NH2-OD2 3.85Å; R52-D72 PolarHBondContact NH2-OD2 3.19Å
53	Q	96	Very high	96.5	Very high	171 Å²	171	54 Å²	54	80%	0.799	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-66	-24.6	173.3	-57.9	-175.6	3.6	0	0	111.8	D51 F55	D51-Q53 PolarHBondContact O-N 3.49Å; D51-Q53 VanDerWaalsContact OD1-CB 3.22Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.44Å; D51-Q53 WeakPolarHBondContact OD1-CG 3.34Å; D51-Q53 PolarHBondContact OD1-N 3.4Å; Q53-F55 PolarHBondContact O-N 3.24Å
54	L	96	Very high	96.6	Very high	41 Å²	41	47 Å²	47	22%	0.215	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-84.6	11.8	177.4	-59.5	177.4	0	0	0	113.4	L21 T49 D51 R52 N56 E57 S58	L21-L54 HydrophobicContact CD1-CB 4.37Å; L21-L54 HydrophobicContact CD1-CD1 4.15Å; T49-L54 HydrophobicContact CG2-CB 4.46Å; T49-L54 HydrophobicContact CG2-CD1 4.21Å; D51-L54 HydrophobicContact CB-CD1 4.11Å; D51-L54 HydrophobicContact CB-CG 4.21Å; D51-L54 WeakPolarHBondContact O-CB 3.23Å; D51-L54 PolarHBondContact O-N 2.9Å; R52-L54 PolarHBondContact O-N 2.88Å; L54-N56 VanDerWaalsContact C-N 3.3Å; L54-N56 PolarHBondContact O-N 3.01Å; L54-E57 PolarHBondContact O-N 2.9Å; L54-S58 WeakPolarHBondContact O-CB 3.37Å; L54-S58 PolarHBondContact O-N 3.39Å; L54-S58 PolarHBondContact O-OG 2.88Å
55	F	96.2	Very high	96.6	Very high	12 Å²	12	45.5 Å²	45.5	5%	0.053	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-52.2	-46.7	178.2	173.7	-90.1	0	0	0	112.4	L23 W25 R52 Q53 E57 S58 V61 P74 V76 L79 Q82 F84	L23-F55 HydrophobicContact CD2-CB 3.93Å; L23-F55 HydrophobicContact CD2-CD2 4.09Å; W25-F55 HydrophobicContact CE3-CD2 4.43Å; W25-F55 HydrophobicContact CZ3-CD2 4.1Å; R52-F55 WeakPolarHBondContact O-CB 3.32Å; R52-F55 PolarHBondContact O-N 2.94Å; Q53-F55 PolarHBondContact O-N 3.24Å; F55-E57 PolarHBondContact O-N 3.31Å; F55-S58 PolarHBondContact O-N 3.5Å; F55-V61 HydrophobicContact CD2-CG2 3.88Å; F55-V61 HydrophobicContact CE2-CG2 3.77Å; F55-P74 HydrophobicContact CD2-CB 3.96Å; F55-P74 HydrophobicContact CD2-CG 4.18Å; F55-P74 HydrophobicContact CE2-CB 3.4Å; F55-P74 HydrophobicContact CE2-CG 3.66Å; F55-P74 HydrophobicContact CZ-CB 3.85Å; F55-P74 HydrophobicContact CZ-CG 4.49Å; F55-V76 HydrophobicContact CD1-CG2 4.13Å; F55-V76 HydrophobicContact CE1-CG2 3.35Å; F55-V76 HydrophobicContact CZ-CG2 3.95Å; F55-L79 HydrophobicContact CE1-CG 4.46Å; F55-Q82 VanDerWaalsContact CZ-OE1 3.28Å; F55-Q82 PolarHBondContact O-NE2 3.32Å; F55-F84 AromaticContact CE2-CE1 3.76Å; F55-F84 HydrophobicContact CE2-CE1 3.76Å; F55-F84 AromaticContact CE2-CZ 3.81Å; F55-F84 HydrophobicContact CE2-CZ 3.81Å; F55-F84 HydrophobicContact CZ-CE1 4.02Å; F55-F84 AromaticContact CZ-CZ 3.95Å; F55-F84 HydrophobicContact CZ-CZ 3.95Å
56	N	94.5	Very high	96.4	Very high	102 Å²	102	43.9 Å²	43.9	55%	0.545	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-71.1	-17.7	-178.8	-71	-24.3	0	0	0	113.8	L54 L79	L54-N56 VanDerWaalsContact C-N 3.3Å; L54-N56 PolarHBondContact O-N 3.01Å; N56-L79 HydrophobicContact CB-CD1 4.35Å
57	E	94.3	Very high	96.1	Very high	101 Å²	101	44.4 Å²	44.4	47%	0.472	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-97.9	-7.8	178.5	-64	-176.2	-129.6	0	0	112.8	K18 L21 L54 F55	K18-E57 IonicContact NZ-OE2 2.63Å; K18-E57 PolarHBondContact NZ-OE2 3.31Å; L21-E57 HydrophobicContact CD1-CB 4.03Å; L54-E57 PolarHBondContact O-N 2.9Å; F55-E57 PolarHBondContact O-N 3.31Å
58	S	95.9	Very high	95.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129	-174.1	-63.2	0	0	0	0	111.3	L23 L54 F55 A60 Q82	L23-S58 WeakPolarHBondContact CB-OG 3.38Å; L54-S58 WeakPolarHBondContact O-CB 3.37Å; L54-S58 PolarHBondContact O-N 3.39Å; L54-S58 PolarHBondContact O-OG 2.88Å; F55-S58 PolarHBondContact O-N 3.5Å; S58-A60 VanDerWaalsContact C-N 3.3Å; S58-Q82 WeakPolarHBondContact O-CG 3.41Å; S58-Q82 PolarHBondContact O-NE2 2.93Å
59	A	96.6	Very high	95.7	Very high	23 Å²	23	42.7 Å²	42.7	19%	0.19	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-22.5	176.2	0	0	0	0	0	112.2	I20 L21 Q82 H83 L305	I20-A59 HydrophobicContact CG2-CB 3.54Å; L21-A59 PolarHBondContact O-N 3.22Å; A59-Q82 CarbonylContact O-C 3.47Å; A59-Q82 WeakPolarHBondContact O-CA 3.23Å; A59-H83 PolarHBondContact O-N 2.81Å; A59-L305 HydrophobicContact CB-CD1 4.29Å; A59-L305 HydrophobicContact CB-CD2 4.27Å
60	A	98	Very high	95.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151.5	172.2	0	0	0	0	0	112	I22 L23 S58 H83 V85 L301 L305	I22-A60 HydrophobicContact CG2-CB 4.34Å; L23-A60 PolarHBondContact N-O 2.82Å; S58-A60 VanDerWaalsContact C-N 3.3Å; A60-H83 CarbonylContact C-O 3.56Å; A60-H83 VanDerWaalsContact CA-O 3.23Å; A60-H83 WeakPolarHBondContact CA-O 3.43Å; A60-H83 HydrophobicContact CB-CB 4.17Å; A60-V85 HydrophobicContact CB-CG2 4.26Å; A60-L301 HydrophobicContact CB-CD1 4.24Å; A60-L301 HydrophobicContact CB-CD2 4.48Å; A60-L305 HydrophobicContact CB-CD1 3.62Å; A60-L305 HydrophobicContact CB-CD2 3.87Å; A60-L305 HydrophobicContact CB-CG 4.33Å
61	V	98.1	Very high	95.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.6	170.7	-170	0	0	0	0	107.7	L23 W25 F55 F63 Q82 H83 F84 V85	L23-V61 HydrophobicContact CB-CG2 4.37Å; L23-V61 HydrophobicContact CD2-CG1 4.35Å; L23-V61 HydrophobicContact CD2-CG2 4.4Å; L23-V61 HydrophobicContact CG-CG1 4.37Å; L23-V61 CarbonylContact O-C 3.56Å; L23-V61 VanDerWaalsContact O-CA 3.28Å; L23-V61 WeakPolarHBondContact O-CA 3.3Å; W25-V61 HydrophobicContact CB-CG1 3.57Å; W25-V61 HydrophobicContact CD2-CG1 4.43Å; W25-V61 HydrophobicContact CE3-CG1 4.22Å; W25-V61 HydrophobicContact CG-CG1 4.21Å; F55-V61 HydrophobicContact CD2-CG2 3.88Å; F55-V61 HydrophobicContact CE2-CG2 3.77Å; V61-F63 HydrophobicContact CB-CE2 3.82Å; V61-F63 HydrophobicContact CB-CZ 4.06Å; V61-F63 HydrophobicContact CG1-CD2 4.42Å; V61-F63 HydrophobicContact CG1-CE1 4.12Å; V61-F63 HydrophobicContact CG1-CE2 3.58Å; V61-F63 HydrophobicContact CG1-CZ 3.4Å; V61-F63 WeakPolarHBondContact O-CD2 3.48Å; V61-F63 WeakPolarHBondContact O-CE2 3.39Å; V61-Q82 HydrophobicContact CG2-CG 4.13Å; V61-H83 PolarHBondContact N-O 2.69Å; V61-F84 HydrophobicContact CB-CD1 3.78Å; V61-F84 HydrophobicContact CB-CE1 3.83Å; V61-F84 HydrophobicContact CG1-CE1 4.49Å; V61-F84 HydrophobicContact CG2-CD1 4.02Å; V61-F84 HydrophobicContact CG2-CE1 3.71Å; V61-F84 CarbonylContact O-C 3.51Å; V61-F84 WeakPolarHBondContact O-CA 3.37Å; V61-V85 PolarHBondContact O-N 2.99Å
62	V	98.2	Very high	95.1	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.1	-174.6	-175.5	0	0	0	0	109.8	I22 L23 I24 W25 V26 V85 F87 M112 L301	I22-V62 HydrophobicContact CG2-CG2 3.7Å; L23-V62 PolarHBondContact O-N 3.38Å; I24-V62 HydrophobicContact CD1-CB 3.82Å; I24-V62 HydrophobicContact CD1-CG1 4.36Å; I24-V62 HydrophobicContact CD1-CG2 3.93Å; W25-V62 PolarHBondContact N-O 3.21Å; V26-V62 PolarHBondContact N-O 3.27Å; V62-V85 HydrophobicContact CG2-CB 4.19Å; V62-V85 HydrophobicContact CG2-CG2 4.37Å; V62-F87 HydrophobicContact CG1-CB 3.84Å; V62-F87 HydrophobicContact CG1-CD1 4.47Å; V62-M112 HydrophobicContact CG1-CE 3.89Å; V62-L301 HydrophobicContact CG2-CD2 3.79Å
63	F	97.2	Very high	95.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	110.7	-177.9	-57.7	-93	0	0	0	110.1	W25 V26 V61 D65 I68 P74 F84 V85 F87 F107 Y108	W25-F63 HydrophobicContact CB-CD1 3.96Å; W25-F63 HydrophobicContact CB-CE1 3.78Å; W25-F63 HydrophobicContact CB-CZ 4.33Å; W25-F63 AromaticContact CD1-CD1 3.8Å; W25-F63 AromaticContact CD1-CE1 3.51Å; W25-F63 HydrophobicContact CD2-CE1 4.38Å; W25-F63 HydrophobicContact CG-CD1 4.06Å; W25-F63 AromaticContact CG-CE1 3.6Å; W25-F63 HydrophobicContact CG-CE1 3.6Å; W25-F63 HydrophobicContact CG-CZ 4.35Å; V26-F63 HydrophobicContact CG2-CD1 4.17Å; V61-F63 HydrophobicContact CB-CE2 3.82Å; V61-F63 HydrophobicContact CB-CZ 4.06Å; V61-F63 HydrophobicContact CG1-CD2 4.42Å; V61-F63 HydrophobicContact CG1-CE1 4.12Å; V61-F63 HydrophobicContact CG1-CE2 3.58Å; V61-F63 HydrophobicContact CG1-CZ 3.4Å; V61-F63 WeakPolarHBondContact O-CD2 3.48Å; V61-F63 WeakPolarHBondContact O-CE2 3.39Å; F63-D65 PolarHBondContact O-N 3.4Å; F63-I68 HydrophobicContact CB-CD1 4.07Å; F63-I68 HydrophobicContact CD1-CD1 3.81Å; F63-I68 HydrophobicContact CG-CD1 4.25Å; F63-P74 HydrophobicContact CE1-CG 4.09Å; F63-P74 HydrophobicContact CZ-CG 3.85Å; F63-F84 HydrophobicContact CE2-CB 3.96Å; F63-F84 HydrophobicContact CE2-CD1 4.02Å; F63-F84 AromaticContact CE2-CD2 3.8Å; F63-F84 HydrophobicContact CE2-CD2 3.8Å; F63-F84 HydrophobicContact CE2-CE1 4.46Å; F63-F84 HydrophobicContact CE2-CE2 4.27Å; F63-F84 AromaticContact CE2-CG 3.67Å; F63-F84 HydrophobicContact CE2-CG 3.67Å; F63-F84 HydrophobicContact CZ-CD1 4.44Å; F63-F84 HydrophobicContact CZ-CD2 4.01Å; F63-F84 HydrophobicContact CZ-CE1 4.43Å; F63-F84 HydrophobicContact CZ-CE2 4.02Å; F63-F84 HydrophobicContact CZ-CG 4.23Å; F63-F84 HydrophobicContact CZ-CZ 4.24Å; F63-V85 PolarHBondContact N-O 3.21Å; F63-F87 PolarHBondContact O-N 3.21Å; F63-F107 HydrophobicContact CD1-CE1 4.49Å; F63-F107 HydrophobicContact CD2-CE1 4.22Å; F63-F107 HydrophobicContact CE1-CE1 4.28Å; F63-F107 HydrophobicContact CE1-CZ 4.14Å; F63-F107 HydrophobicContact CE2-CE1 4.01Å; F63-F107 HydrophobicContact CE2-CZ 4.33Å; F63-F107 HydrophobicContact CG-CE1 4.46Å; F63-F107 HydrophobicContact CZ-CE1 4.03Å; F63-F107 AromaticContact CZ-CZ 3.92Å; F63-F107 HydrophobicContact CZ-CZ 3.92Å; F63-Y108 HydrophobicContact CB-CE1 3.94Å; F63-Y108 HydrophobicContact CD2-CD1 4.35Å; F63-Y108 AromaticContact CD2-CE1 3.8Å; F63-Y108 HydrophobicContact CD2-CE1 3.8Å; F63-Y108 HydrophobicContact CG-CE1 4.07Å
64	Y	96.5	Very high	94.9	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	116.7	170.7	-173.5	-126.7	0	0	0	111.7	V26 D27 Y28 R29 A66 A67 I68 F87 M89	V26-Y64 PolarHBondContact O-N 3.26Å; D27-Y64 WeakPolarHBondContact O-CB 3.26Å; D27-Y64 WeakPolarHBondContact O-CD1 3.41Å; Y28-Y64 HydrophobicContact CD2-CD1 4.1Å; Y28-Y64 AromaticContact CD2-CD2 3.75Å; Y28-Y64 HydrophobicContact CD2-CD2 3.75Å; Y28-Y64 AromaticContact CD2-CE1 3.72Å; Y28-Y64 HydrophobicContact CD2-CE1 3.72Å; Y28-Y64 AromaticContact CD2-CE2 3.38Å; Y28-Y64 HydrophobicContact CD2-CE2 3.38Å; Y28-Y64 HydrophobicContact CD2-CG 4.12Å; Y28-Y64 AromaticContact CD2-CZ 3.35Å; Y28-Y64 HydrophobicContact CE2-CD2 4.42Å; Y28-Y64 HydrophobicContact CE2-CE1 4.15Å; Y28-Y64 AromaticContact CE2-CE2 3.62Å; Y28-Y64 HydrophobicContact CE2-CE2 3.62Å; Y28-Y64 AromaticContact CE2-CZ 3.44Å; Y28-Y64 VanDerWaalsContact CE2-CZ 3.44Å; Y28-Y64 VanDerWaalsContact CE2-OH 3.31Å; Y28-Y64 WeakPolarHBondContact CE2-OH 3.43Å; R29-Y64 HydrophobicContact CB-CE1 4.01Å; R29-Y64 HydrophobicContact CG-CD1 4.26Å; R29-Y64 HydrophobicContact CG-CE1 4.04Å; Y64-A66 HydrophobicContact CD1-CB 4.27Å; Y64-A66 HydrophobicContact CE1-CB 3.64Å; Y64-A66 PolarHBondContact O-N 3.33Å; Y64-A67 HydrophobicContact CD1-CB 3.9Å; Y64-A67 PolarHBondContact O-N 2.71Å; Y64-A67 VanDerWaalsContact O-N 3.13Å; Y64-I68 PolarHBondContact O-N 3.23Å; Y64-F87 CarbonylContact C-O 3.57Å; Y64-F87 WeakPolarHBondContact CA-O 3.31Å; Y64-F87 HydrophobicContact CD2-CB 4.43Å; Y64-F87 AromaticContact CD2-CD1 3.76Å; Y64-F87 HydrophobicContact CD2-CD1 3.76Å; Y64-F87 HydrophobicContact CD2-CE1 4.18Å; Y64-F87 HydrophobicContact CD2-CG 4.07Å; Y64-F87 VanDerWaalsContact CD2-O 3.3Å; Y64-F87 WeakPolarHBondContact CD2-O 3.39Å; Y64-F87 HydrophobicContact CG-CD1 4.42Å; Y64-M89 HydrophobicContact CE2-CB 4.23Å; Y64-M89 HydrophobicContact CE2-CG 4.26Å
65	D	95.4	Very high	94.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-56.1	-44	-172.1	176.5	70.1	0	0	0	113.4	F63 A67 I68 L86 F87 V88 V95 S96	F63-D65 PolarHBondContact O-N 3.4Å; D65-A67 PolarHBondContact O-N 3.34Å; D65-A67 VanDerWaalsContact O-N 3.09Å; D65-I68 WeakPolarHBondContact O-CG2 3.31Å; D65-L86 HydrophobicContact CB-CD1 3.97Å; D65-F87 PolarHBondContact N-O 3.46Å; D65-V88 HydrophobicContact CB-CB 4.01Å; D65-V88 HydrophobicContact CB-CG2 4.09Å; D65-V95 WeakPolarHBondContact OD2-CA 3.43Å; D65-S96 WeakPolarHBondContact O-CB 3.19Å; D65-S96 PolarHBondContact OD2-N 3.2Å
66	A	91.9	Very high	93.6	Very high	29 Å²	29	44.1 Å²	44.1	24%	0.24	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-69.4	-13.5	-175	0	0	0	0	0	113.1	R29 Y64	R29-A66 PolarHBondContact NH1-O 3.36Å; R29-A66 PolarHBondContact NH2-O 2.91Å; R29-A66 VanDerWaalsContact NH2-O 3.09Å; Y64-A66 HydrophobicContact CD1-CB 4.27Å; Y64-A66 HydrophobicContact CE1-CB 3.64Å; Y64-A66 PolarHBondContact O-N 3.33Å
67	A	92.7	Very high	93.2	Very high	28 Å²	28	47 Å²	47	23%	0.231	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-119.8	-2.9	-173.4	0	0	0	0	0	115.3	V26 R29 Y64 D65	V26-A67 VanDerWaalsContact CG1-C 3.48Å; V26-A67 HydrophobicContact CG1-CB 3.4Å; V26-A67 VanDerWaalsContact CG1-CB 3.4Å; R29-A67 HydrophobicContact CG-CB 3.87Å; Y64-A67 HydrophobicContact CD1-CB 3.9Å; Y64-A67 PolarHBondContact O-N 2.71Å; Y64-A67 VanDerWaalsContact O-N 3.13Å; D65-A67 PolarHBondContact O-N 3.34Å; D65-A67 VanDerWaalsContact O-N 3.09Å
68	I	92.7	Very high	93.2	Very high	14 Å²	14	45.1 Å²	45.1	7%	0.072	26%	0.255	C	S	.	.			trans	-70.9	131.9	-178.9	-178.6	159.1	0	0	0	111.6	V26 F63 Y64 D65 L73 A99 L103	V26-I68 HydrophobicContact CG2-CB 4.2Å; V26-I68 HydrophobicContact CG2-CG1 4.41Å; F63-I68 HydrophobicContact CB-CD1 4.07Å; F63-I68 HydrophobicContact CD1-CD1 3.81Å; F63-I68 HydrophobicContact CG-CD1 4.25Å; Y64-I68 PolarHBondContact O-N 3.23Å; D65-I68 WeakPolarHBondContact O-CG2 3.31Å; I68-L73 HydrophobicContact CD1-CD2 3.7Å; I68-L73 HydrophobicContact CG1-CD2 3.98Å; I68-A99 HydrophobicContact CB-CB 4.3Å; I68-A99 HydrophobicContact CG1-CB 4.31Å; I68-A99 HydrophobicContact CG2-CB 3.26Å; I68-L103 HydrophobicContact CD1-CD1 3.38Å; I68-L103 HydrophobicContact CG1-CD1 4.25Å
69	D	92.9	Very high	93	Very high	89 Å²	89	47.1 Å²	47.1	48%	0.476	27%	0.265	S	S	.	.			trans	-102.9	125	167.2	-175.9	-6.8	0	0	0	108.5	M71 D72	D69-M71 PolarHBondContact O-N 3.31Å; D69-M71 WeakPolarHBondContact OD1-CB 3.42Å; D69-M71 PolarHBondContact OD1-N 2.86Å; D69-D72 HydrophobicContact CB-CB 4.16Å; D69-D72 CarbonylContact O-C 3.55Å; D69-D72 PolarHBondContact O-N 3.49Å
70	T	91.9	Very high	92.9	Very high	47 Å²	47	49.5 Å²	49.5	29%	0.288	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.2	178.1	50.7	0	0	0	0	113.1	D72 V98 A99 A102	T70-D72 VanDerWaalsContact C-N 3.35Å; T70-V98 HydrophobicContact CG2-CG1 4.38Å; T70-A99 HydrophobicContact CG2-CB 3.8Å; T70-A102 HydrophobicContact CG2-CB 3.94Å
71	M	92.6	Very high	92.6	Very high	170 Å²	170	53.9 Å²	53.9	84%	0.837	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-12.3	173	-60.6	-62.1	-67.6	0	0	112.9	D69	D69-M71 PolarHBondContact O-N 3.31Å; D69-M71 WeakPolarHBondContact OD1-CB 3.42Å; D69-M71 PolarHBondContact OD1-N 2.86Å
72	D	94	Very high	92.4	Very high	64 Å²	64	53.9 Å²	53.9	34%	0.342	30%	0.299	S	S	.	.	S	Bend	trans	-120.8	55.9	-177.7	-173.5	32.2	0	0	0	110.9	W25 R52 D69 T70	W25-D72 PolarHBondContact NE1-O 3Å; R52-D72 IonicContact CZ-OD1 3.91Å; R52-D72 IonicContact CZ-OD2 3.66Å; R52-D72 VanDerWaalsContact CZ-OD2 3.25Å; R52-D72 IonicContact NH1-OD1 3.06Å; R52-D72 PolarHBondContact NH1-OD1 3.43Å; R52-D72 IonicContact NH1-OD2 2.7Å; R52-D72 PolarHBondContact NH1-OD2 3.21Å; R52-D72 IonicContact NH2-OD1 2.9Å; R52-D72 IonicContact NH2-OD2 3.85Å; R52-D72 PolarHBondContact NH2-OD2 3.19Å; D69-D72 HydrophobicContact CB-CB 4.16Å; D69-D72 CarbonylContact O-C 3.55Å; D69-D72 PolarHBondContact O-N 3.49Å; T70-D72 VanDerWaalsContact C-N 3.35Å
73	L	94.6	Very high	92.4	Very high	46 Å²	46	54 Å²	54	24%	0.241	30%	0.299	C	S	.	.	S	Bend	trans	-97.4	160.2	173.5	-59.9	179.1	0	0	0	110.6	I68 L103 F107	I68-L73 HydrophobicContact CD1-CD2 3.7Å; I68-L73 HydrophobicContact CG1-CD2 3.98Å; L73-L103 HydrophobicContact CD1-CD1 4.49Å; L73-L103 HydrophobicContact CD1-CD2 3.83Å; L73-L103 HydrophobicContact CD2-CD1 4.12Å; L73-F107 HydrophobicContact CD1-CE2 4.34Å; L73-F107 HydrophobicContact CD2-CZ 4.12Å
74	P	93.4	Very high	92.4	Very high	14 Å²	14	54.2 Å²	54.2	9%	0.091	30%	0.3	C	S	.	.			trans	-52.2	138.4	172.8	-27.1	34.5	0	0	0	111.5	W25 F55 F63 V76 F84	W25-P74 HydrophobicContact CD2-CG 3.9Å; W25-P74 HydrophobicContact CE3-CG 3.97Å; W25-P74 HydrophobicContact CH2-CB 4.12Å; W25-P74 HydrophobicContact CH2-CG 4.06Å; W25-P74 HydrophobicContact CZ2-CB 4.33Å; W25-P74 HydrophobicContact CZ2-CG 3.99Å; W25-P74 HydrophobicContact CZ3-CB 4.32Å; W25-P74 HydrophobicContact CZ3-CG 4.05Å; F55-P74 HydrophobicContact CD2-CB 3.96Å; F55-P74 HydrophobicContact CD2-CG 4.18Å; F55-P74 HydrophobicContact CE2-CB 3.4Å; F55-P74 HydrophobicContact CE2-CG 3.66Å; F55-P74 HydrophobicContact CZ-CB 3.85Å; F55-P74 HydrophobicContact CZ-CG 4.49Å; F63-P74 HydrophobicContact CE1-CG 4.09Å; F63-P74 HydrophobicContact CZ-CG 3.85Å; P74-V76 PolarHBondContact O-N 3.36Å; P74-V76 VanDerWaalsContact O-N 3.12Å; P74-F84 HydrophobicContact CB-CZ 4.26Å; P74-F84 HydrophobicContact CG-CE2 4.38Å; P74-F84 HydrophobicContact CG-CZ 3.92Å
75	P	81.6	Confident	92.5	Very high	121 Å²	121	54 Å²	54	79%	0.786	30%	0.3	S	S	*	.	S	Bend	trans	-70	-13	-172	28.8	-36.6	0	0	0	113.4
76	V	82.9	Confident	92.6	Very high	73 Å²	73	54.1 Å²	54.1	44%	0.442	30%	0.3	S	S	.	.	S	Bend	trans	-125.5	154	179.5	-63	0	0	0	0	110	F55 P74	F55-V76 HydrophobicContact CD1-CG2 4.13Å; F55-V76 HydrophobicContact CE1-CG2 3.35Å; F55-V76 HydrophobicContact CZ-CG2 3.95Å; P74-V76 PolarHBondContact O-N 3.36Å; P74-V76 VanDerWaalsContact O-N 3.12Å
77	L	86.3	Confident	92.9	Very high	163 Å²	163	52.9 Å²	52.9	85%	0.853	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-58.3	150.9	169.4	-67.7	173.6	0	0	0	110.6	L79	L77-L79 PolarHBondContact O-N 3.15Å
78	R	93.1	Very high	93.1	Very high	61 Å²	61	51.6 Å²	51.6	23%	0.23	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-47.5	128.7	175.6	-178.3	-177.3	67.5	79	-4.8	111.4	Q82 F84 I314	R78-Q82 WeakPolarHBondContact CD-O 3.27Å; R78-Q82 HydrophobicContact CG-CB 4.16Å; R78-Q82 HydrophobicContact CG-CG 4.47Å; R78-Q82 WeakPolarHBondContact CG-O 3.01Å; R78-Q82 PolarHBondContact NH1-O 2.04Å; R78-F84 HydrophobicContact CB-CD1 3.95Å; R78-F84 HydrophobicContact CB-CD2 4.13Å; R78-F84 HydrophobicContact CB-CE1 3.82Å; R78-F84 HydrophobicContact CB-CE2 4Å; R78-F84 HydrophobicContact CB-CG 4.11Å; R78-F84 HydrophobicContact CB-CZ 3.84Å; R78-F84 HydrophobicContact CG-CD1 3.64Å; R78-F84 HydrophobicContact CG-CE1 3.85Å; R78-F84 HydrophobicContact CG-CG 4.02Å; R78-F84 HydrophobicContact CG-CZ 4.39Å; R78-I314 PolarHBondContact NH1-O 3.23Å; R78-I314 PolarHBondContact NH2-O 3.33Å; R78-I314 VanDerWaalsContact NH2-O 3.12Å
79	L	93.4	Very high	93.1	Very high	43 Å²	43	50.9 Å²	50.9	23%	0.225	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-64	149.5	176.2	-62.7	177.8	0	0	0	111	F55 N56 L77 H81 Q82	F55-L79 HydrophobicContact CE1-CG 4.46Å; N56-L79 HydrophobicContact CB-CD1 4.35Å; L77-L79 PolarHBondContact O-N 3.15Å; L79-H81 PolarHBondContact O-N 3.21Å; L79-Q82 HydrophobicContact CB-CB 4.01Å; L79-Q82 WeakPolarHBondContact O-CB 3.04Å; L79-Q82 PolarHBondContact O-N 3.4Å
80	P	93.2	Very high	93.1	Very high	73 Å²	73	49 Å²	49	47%	0.474	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.6	-174.3	-29.5	35.6	0	0	0	114.7	T313 I314	P80-T313 CarbonylContact O-C 3.51Å; P80-T313 WeakPolarHBondContact O-CA 3.46Å; P80-I314 PolarHBondContact O-N 3.18Å
81	H	91.6	Very high	93.2	Very high	92 Å²	92	46.8 Å²	46.8	43%	0.426	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	0.7	-178.4	60.5	-89.3	0	0	0	113.9	L79	L79-H81 PolarHBondContact O-N 3.21Å
82	Q	95.4	Very high	93.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-101.5	144.5	-173.1	-176	176.7	64.1	0	0	111.4	F55 S58 A59 V61 R78 L79 F84	F55-Q82 VanDerWaalsContact CZ-OE1 3.28Å; F55-Q82 PolarHBondContact O-NE2 3.32Å; S58-Q82 WeakPolarHBondContact O-CG 3.41Å; S58-Q82 PolarHBondContact O-NE2 2.93Å; A59-Q82 CarbonylContact O-C 3.47Å; A59-Q82 WeakPolarHBondContact O-CA 3.23Å; V61-Q82 HydrophobicContact CG2-CG 4.13Å; R78-Q82 WeakPolarHBondContact CD-O 3.27Å; R78-Q82 HydrophobicContact CG-CB 4.16Å; R78-Q82 HydrophobicContact CG-CG 4.47Å; R78-Q82 WeakPolarHBondContact CG-O 3.01Å; R78-Q82 PolarHBondContact NH1-O 2.04Å; L79-Q82 HydrophobicContact CB-CB 4.01Å; L79-Q82 WeakPolarHBondContact O-CB 3.04Å; L79-Q82 PolarHBondContact O-N 3.4Å; Q82-F84 HydrophobicContact CG-CD1 4.49Å; Q82-F84 HydrophobicContact CG-CE1 4.49Å; Q82-F84 VanDerWaalsContact OE1-CE1 3.3Å
83	H	97.5	Very high	93.3	Very high	4 Å²	4	39 Å²	39	2%	0.019	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135.4	168.9	-74.9	-88.3	0	0	0	112.2	A59 A60 V61 V85 T109 L110 L305 D308 I314	A59-H83 PolarHBondContact O-N 2.81Å; A60-H83 CarbonylContact C-O 3.56Å; A60-H83 VanDerWaalsContact CA-O 3.23Å; A60-H83 WeakPolarHBondContact CA-O 3.43Å; A60-H83 HydrophobicContact CB-CB 4.17Å; V61-H83 PolarHBondContact N-O 2.69Å; H83-V85 HydrophobicContact CB-CG2 4.21Å; H83-T109 VanDerWaalsContact CA-OG1 3.22Å; H83-T109 WeakPolarHBondContact CA-OG1 3.35Å; H83-T109 WeakPolarHBondContact CB-OG1 2.91Å; H83-T109 PolarHBondContact ND1-OG1 3.44Å; H83-L110 HydrophobicContact CB-CD1 4.16Å; H83-L110 VanDerWaalsContact ND1-CD1 3.29Å; H83-L110 WeakPolarHBondContact ND1-CD1 3.4Å; H83-L110 WeakPolarHBondContact ND1-CG 3.47Å; H83-L305 HydrophobicContact CB-CD2 4.26Å; H83-L305 VanDerWaalsContact CD2-CD2 3.41Å; H83-L305 WeakPolarHBondContact CD2-CD2 3.31Å; H83-D308 IonicContact CE1-OD2 3.48Å; H83-D308 PolarHBondContact CE1-OD2 3.46Å; H83-D308 IonicContact NE2-OD2 3.04Å; H83-D308 PolarHBondContact NE2-OD2 2.83Å; H83-I314 WeakPolarHBondContact CE1-CG2 3.5Å; H83-I314 WeakPolarHBondContact ND1-CG2 3.35Å
84	F	97.7	Very high	93.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.5	162	-83.3	14.6	0	0	0	107.5	F55 V61 F63 P74 R78 Q82 F107 Y108 T109 L110	F55-F84 AromaticContact CE2-CE1 3.76Å; F55-F84 HydrophobicContact CE2-CE1 3.76Å; F55-F84 AromaticContact CE2-CZ 3.81Å; F55-F84 HydrophobicContact CE2-CZ 3.81Å; F55-F84 HydrophobicContact CZ-CE1 4.02Å; F55-F84 AromaticContact CZ-CZ 3.95Å; F55-F84 HydrophobicContact CZ-CZ 3.95Å; V61-F84 HydrophobicContact CB-CD1 3.78Å; V61-F84 HydrophobicContact CB-CE1 3.83Å; V61-F84 HydrophobicContact CG1-CE1 4.49Å; V61-F84 HydrophobicContact CG2-CD1 4.02Å; V61-F84 HydrophobicContact CG2-CE1 3.71Å; V61-F84 CarbonylContact O-C 3.51Å; V61-F84 WeakPolarHBondContact O-CA 3.37Å; F63-F84 HydrophobicContact CE2-CB 3.96Å; F63-F84 HydrophobicContact CE2-CD1 4.02Å; F63-F84 AromaticContact CE2-CD2 3.8Å; F63-F84 HydrophobicContact CE2-CD2 3.8Å; F63-F84 HydrophobicContact CE2-CE1 4.46Å; F63-F84 HydrophobicContact CE2-CE2 4.27Å; F63-F84 AromaticContact CE2-CG 3.67Å; F63-F84 HydrophobicContact CE2-CG 3.67Å; F63-F84 HydrophobicContact CZ-CD1 4.44Å; F63-F84 HydrophobicContact CZ-CD2 4.01Å; F63-F84 HydrophobicContact CZ-CE1 4.43Å; F63-F84 HydrophobicContact CZ-CE2 4.02Å; F63-F84 HydrophobicContact CZ-CG 4.23Å; F63-F84 HydrophobicContact CZ-CZ 4.24Å; P74-F84 HydrophobicContact CB-CZ 4.26Å; P74-F84 HydrophobicContact CG-CE2 4.38Å; P74-F84 HydrophobicContact CG-CZ 3.92Å; R78-F84 HydrophobicContact CB-CD1 3.95Å; R78-F84 HydrophobicContact CB-CD2 4.13Å; R78-F84 HydrophobicContact CB-CE1 3.82Å; R78-F84 HydrophobicContact CB-CE2 4Å; R78-F84 HydrophobicContact CB-CG 4.11Å; R78-F84 HydrophobicContact CB-CZ 3.84Å; R78-F84 HydrophobicContact CG-CD1 3.64Å; R78-F84 HydrophobicContact CG-CE1 3.85Å; R78-F84 HydrophobicContact CG-CG 4.02Å; R78-F84 HydrophobicContact CG-CZ 4.39Å; Q82-F84 HydrophobicContact CG-CD1 4.49Å; Q82-F84 HydrophobicContact CG-CE1 4.49Å; Q82-F84 VanDerWaalsContact OE1-CE1 3.3Å; F84-F107 WeakPolarHBondContact CB-O 3.44Å; F84-F107 HydrophobicContact CD2-CD1 4.08Å; F84-F107 HydrophobicContact CD2-CD2 4.24Å; F84-F107 AromaticContact CD2-CE1 3.71Å; F84-F107 HydrophobicContact CD2-CE1 3.71Å; F84-F107 AromaticContact CD2-CE2 3.88Å; F84-F107 HydrophobicContact CD2-CE2 3.88Å; F84-F107 HydrophobicContact CD2-CG 4.34Å; F84-F107 AromaticContact CD2-CZ 3.6Å; F84-F107 HydrophobicContact CD2-CZ 3.6Å; F84-F107 HydrophobicContact CE2-CD2 4.38Å; F84-F107 HydrophobicContact CE2-CE1 4.22Å; F84-F107 AromaticContact CE2-CE2 3.72Å; F84-F107 HydrophobicContact CE2-CE2 3.72Å; F84-F107 AromaticContact CE2-CZ 3.62Å; F84-F107 HydrophobicContact CE2-CZ 3.62Å; F84-Y108 HydrophobicContact CB-CD1 4.35Å; F84-Y108 CarbonylContact O-C 3.6Å; F84-Y108 WeakPolarHBondContact O-CA 3.41Å; F84-T109 PolarHBondContact N-OG1 3.17Å; F84-T109 VanDerWaalsContact N-OG1 3.14Å; F84-T109 PolarHBondContact O-N 3.28Å; F84-T109 PolarHBondContact O-OG1 3.14Å; F84-L110 PolarHBondContact O-N 3.01Å
85	V	98.5	Very high	93.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.5	-170.8	-171.7	0	0	0	0	109.2	A60 V61 V62 F63 H83 F87 L110 M112 L120 L301	A60-V85 HydrophobicContact CB-CG2 4.26Å; V61-V85 PolarHBondContact O-N 2.99Å; V62-V85 HydrophobicContact CG2-CB 4.19Å; V62-V85 HydrophobicContact CG2-CG2 4.37Å; F63-V85 PolarHBondContact N-O 3.21Å; H83-V85 HydrophobicContact CB-CG2 4.21Å; V85-F87 PolarHBondContact O-N 3.07Å; V85-L110 WeakPolarHBondContact CA-O 3.38Å; V85-L110 HydrophobicContact CG1-CB 4.28Å; V85-L110 HydrophobicContact CG2-CB 4.27Å; V85-L110 HydrophobicContact CG2-CD1 4.45Å; V85-M112 HydrophobicContact CG1-CB 3.83Å; V85-L120 HydrophobicContact CG1-CD1 3.89Å; V85-L301 HydrophobicContact CG2-CD1 3.89Å; V85-L301 HydrophobicContact CG2-CD2 4.35Å
86	L	97.9	Very high	93.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.3	166.9	174.1	70.6	0	0	0	107.7	D65 V88 F100 Y108 L110 M112 L323	D65-L86 HydrophobicContact CB-CD1 3.97Å; L86-V88 HydrophobicContact CD2-CG1 4.06Å; L86-V88 HydrophobicContact CG-CB 4.44Å; L86-V88 HydrophobicContact CG-CG1 4.26Å; L86-F100 HydrophobicContact CD2-CE2 4.27Å; L86-Y108 HydrophobicContact CB-CD1 3.74Å; L86-Y108 HydrophobicContact CB-CD2 4.13Å; L86-Y108 HydrophobicContact CB-CE1 3.92Å; L86-Y108 HydrophobicContact CB-CE2 4.26Å; L86-Y108 HydrophobicContact CB-CG 3.83Å; L86-Y108 HydrophobicContact CD1-CE1 4.24Å; L86-Y108 HydrophobicContact CD1-CE2 4.01Å; L86-Y108 VanDerWaalsContact N-CD1 3.26Å; L86-L110 PolarHBondContact N-O 2.79Å; L86-M112 WeakPolarHBondContact O-CA 3.49Å; L86-M112 WeakPolarHBondContact O-CB 3.49Å; L86-M112 PolarHBondContact O-N 2.97Å; L86-L323 HydrophobicContact CD2-CD1 3.73Å; L86-L323 HydrophobicContact CD2-CD2 3.57Å; L86-L323 HydrophobicContact CD2-CG 4.27Å
87	F	97.7	Very high	94.1	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113.6	169.2	-176.3	-154.8	0	0	0	110	Y28 V62 F63 Y64 D65 V85 M89 M112 T122 I294	Y28-F87 AromaticContact CD2-CE1 3.9Å; Y28-F87 HydrophobicContact CD2-CE1 3.9Å; Y28-F87 HydrophobicContact CD2-CZ 4.24Å; Y28-F87 HydrophobicContact CG-CE1 4.12Å; V62-F87 HydrophobicContact CG1-CB 3.84Å; V62-F87 HydrophobicContact CG1-CD1 4.47Å; F63-F87 PolarHBondContact O-N 3.21Å; Y64-F87 CarbonylContact C-O 3.57Å; Y64-F87 WeakPolarHBondContact CA-O 3.31Å; Y64-F87 HydrophobicContact CD2-CB 4.43Å; Y64-F87 AromaticContact CD2-CD1 3.76Å; Y64-F87 HydrophobicContact CD2-CD1 3.76Å; Y64-F87 HydrophobicContact CD2-CE1 4.18Å; Y64-F87 HydrophobicContact CD2-CG 4.07Å; Y64-F87 VanDerWaalsContact CD2-O 3.3Å; Y64-F87 WeakPolarHBondContact CD2-O 3.39Å; Y64-F87 HydrophobicContact CG-CD1 4.42Å; D65-F87 PolarHBondContact N-O 3.46Å; V85-F87 PolarHBondContact O-N 3.07Å; F87-M89 HydrophobicContact CD2-CG 4.33Å; F87-M89 HydrophobicContact CE2-CG 3.47Å; F87-M89 VanDerWaalsContact CE2-CG 3.47Å; F87-M89 HydrophobicContact CE2-SD 3.5Å; F87-M89 VanDerWaalsContact CE2-SD 3.5Å; F87-M89 HydrophobicContact CZ-CG 3.62Å; F87-M89 HydrophobicContact CZ-SD 3.95Å; F87-M112 WeakPolarHBondContact CA-O 3.32Å; F87-M112 HydrophobicContact CB-CE 3.65Å; F87-M112 HydrophobicContact CD1-CE 3.78Å; F87-M112 HydrophobicContact CD2-CB 4.2Å; F87-M112 HydrophobicContact CD2-CE 3.41Å; F87-M112 VanDerWaalsContact CD2-CE 3.41Å; F87-M112 HydrophobicContact CD2-CG 3.93Å; F87-M112 HydrophobicContact CD2-SD 4.47Å; F87-M112 HydrophobicContact CE1-CE 4.26Å; F87-M112 HydrophobicContact CE2-CE 3.94Å; F87-M112 HydrophobicContact CE2-CG 4.37Å; F87-M112 HydrophobicContact CG-CE 3.32Å; F87-M112 HydrophobicContact CZ-CE 4.35Å; F87-T122 HydrophobicContact CE2-CG2 3.87Å; F87-T122 HydrophobicContact CZ-CG2 4.41Å; F87-I294 HydrophobicContact CZ-CD1 4.32Å; F87-I294 HydrophobicContact CZ-CG1 4.27Å
88	V	95.8	Very high	94.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	118	-179.1	61	0	0	0	0	110.5	D65 L86 E90 V95 M112 S113 F327	D65-V88 HydrophobicContact CB-CB 4.01Å; D65-V88 HydrophobicContact CB-CG2 4.09Å; L86-V88 HydrophobicContact CD2-CG1 4.06Å; L86-V88 HydrophobicContact CG-CB 4.44Å; L86-V88 HydrophobicContact CG-CG1 4.26Å; V88-E90 WeakPolarHBondContact CG2-O 3.26Å; V88-V95 HydrophobicContact CG2-CG1 4.26Å; V88-M112 PolarHBondContact N-O 3.37Å; V88-S113 WeakPolarHBondContact O-CA 3.31Å; V88-S113 WeakPolarHBondContact O-CB 3.42Å; V88-F327 HydrophobicContact CB-CZ 4.38Å; V88-F327 HydrophobicContact CG1-CD2 4.38Å; V88-F327 HydrophobicContact CG1-CE1 4.16Å; V88-F327 HydrophobicContact CG1-CE2 3.71Å; V88-F327 HydrophobicContact CG1-CZ 3.58Å; V88-F327 HydrophobicContact CG2-CE1 3.94Å; V88-F327 HydrophobicContact CG2-CZ 3.84Å
89	M	93.5	Very high	94.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.			trans	-101	-20.3	176	-68	-64.4	-72.9	0	0	111.9	Y28 Y64 F87 Y114 T122 Y124 F224	Y28-M89 HydrophobicContact CD2-CG 4.43Å; Y28-M89 HydrophobicContact CE2-CB 4.04Å; Y28-M89 HydrophobicContact CE2-CG 3.72Å; Y64-M89 HydrophobicContact CE2-CB 4.23Å; Y64-M89 HydrophobicContact CE2-CG 4.26Å; F87-M89 HydrophobicContact CD2-CG 4.33Å; F87-M89 HydrophobicContact CE2-CG 3.47Å; F87-M89 VanDerWaalsContact CE2-CG 3.47Å; F87-M89 HydrophobicContact CE2-SD 3.5Å; F87-M89 VanDerWaalsContact CE2-SD 3.5Å; F87-M89 HydrophobicContact CZ-CG 3.62Å; F87-M89 HydrophobicContact CZ-SD 3.95Å; M89-Y114 WeakPolarHBondContact O-CD1 3.46Å; M89-T122 HydrophobicContact SD-CG2 4Å; M89-T122 VanDerWaalsContact SD-O 3.37Å; M89-Y124 HydrophobicContact CB-CE1 4.46Å; M89-Y124 HydrophobicContact CB-CE2 4.33Å; M89-Y124 WeakPolarHBondContact CB-OH 3.37Å; M89-Y124 HydrophobicContact CE-CD1 3.72Å; M89-Y124 HydrophobicContact CE-CD2 3.81Å; M89-Y124 HydrophobicContact CE-CE1 3.76Å; M89-Y124 HydrophobicContact CE-CE2 3.85Å; M89-Y124 HydrophobicContact CE-CG 3.76Å; M89-Y124 WeakPolarHBondContact O-CE2 3.35Å; M89-Y124 PolarHBondContact O-OH 3.46Å; M89-Y124 VanDerWaalsContact O-OH 3.13Å; M89-F224 WeakPolarHBondContact O-CE2 3.48Å
90	E	93.3	Very high	94.5	Very high	49 Å²	49	33.7 Å²	33.7	23%	0.229	17%	0.173	C	C	.	.	S	Bend	trans	-82	151.1	179.6	-73.2	-63.6	165.8	0	0	113.1	V88 H94 Y114	V88-E90 WeakPolarHBondContact CG2-O 3.26Å; E90-H94 HydrophobicContact CB-CB 3.89Å; E90-H94 HydrophobicContact CG-CB 4.38Å; E90-Y114 WeakPolarHBondContact O-CE1 3.29Å
91	S	94.2	Very high	94.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.			trans	-62.5	163.9	177.6	71.9	0	0	0	0	113.1	H93 H94 V95 S219	S91-H93 PolarHBondContact O-N 3.42Å; S91-H94 CarbonylContact O-C 3.31Å; S91-H94 WeakPolarHBondContact O-CA 3.39Å; S91-H94 PolarHBondContact O-N 3.22Å; S91-H94 PolarHBondContact OG-CD2 3.3Å; S91-H94 VanDerWaalsContact OG-CD2 3.29Å; S91-V95 PolarHBondContact O-N 3.29Å; S91-S219 VanDerWaalsContact OG-CB 3.23Å; S91-S219 WeakPolarHBondContact OG-CB 3.19Å; S91-S219 PolarHBondContact OG-OG 2.74Å
92	A	94.8	Very high	94.7	Very high	8 Å²	8	35.9 Å²	35.9	7%	0.066	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-53.8	-27.8	177.2	0	0	0	0	0	114.7	H94 F327 I328	A92-H94 VanDerWaalsContact C-N 3.26Å; A92-H94 PolarHBondContact O-N 3.35Å; A92-F327 HydrophobicContact CB-CD1 4.39Å; A92-F327 HydrophobicContact CB-CE1 4.44Å; A92-I328 HydrophobicContact CB-CD1 3.84Å
93	H	93.7	Very high	94.6	Very high	63 Å²	63	36.4 Å²	36.4	29%	0.292	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-75.4	-13.4	175.2	-64.5	168.4	0	0	0	114.2	S91 P162 S219 C333 N335	S91-H93 PolarHBondContact O-N 3.42Å; H93-P162 HydrophobicContact CB-CG 3.98Å; H93-P162 WeakPolarHBondContact ND1-CB 3.5Å; H93-P162 WeakPolarHBondContact ND1-CG 3.48Å; H93-S219 PolarHBondContact ND1-OG 3.42Å; H93-C333 WeakPolarHBondContact NE2-CB 3.04Å; H93-N335 PolarHBondContact CE1-OD1 3.46Å; H93-N335 PolarHBondContact NE2-OD1 3.49Å
94	H	93.4	Very high	94.4	Very high	56 Å²	56	37.9 Å²	37.9	26%	0.259	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-121.4	10.4	-169.9	-67.8	-46.9	0	0	0	113.3	E90 S91 A92 F158	E90-H94 HydrophobicContact CB-CB 3.89Å; E90-H94 HydrophobicContact CG-CB 4.38Å; S91-H94 CarbonylContact O-C 3.31Å; S91-H94 WeakPolarHBondContact O-CA 3.39Å; S91-H94 PolarHBondContact O-N 3.22Å; S91-H94 PolarHBondContact OG-CD2 3.3Å; S91-H94 VanDerWaalsContact OG-CD2 3.29Å; A92-H94 VanDerWaalsContact C-N 3.26Å; A92-H94 PolarHBondContact O-N 3.35Å; H94-F158 AromaticContact CE1-CE1 3.85Å
95	V	94.8	Very high	94.1	Very high	22 Å²	22	40.4 Å²	40.4	13%	0.133	21%	0.214	C	C	.	.	S	Bend	trans	-62.1	157.6	168.9	-59.2	0	0	0	0	111.8	D65 V88 S91 K97 F100 F327 I328	D65-V95 WeakPolarHBondContact OD2-CA 3.43Å; V88-V95 HydrophobicContact CG2-CG1 4.26Å; S91-V95 PolarHBondContact O-N 3.29Å; V95-K97 PolarHBondContact O-N 2.83Å; V95-K97 VanDerWaalsContact O-N 3.11Å; V95-F100 HydrophobicContact CB-CB 4.07Å; V95-F100 HydrophobicContact CB-CD2 3.71Å; V95-F100 HydrophobicContact CB-CE2 4.3Å; V95-F100 HydrophobicContact CB-CG 3.88Å; V95-F100 HydrophobicContact CG1-CD2 3.84Å; V95-F100 HydrophobicContact CG1-CE2 3.95Å; V95-F100 HydrophobicContact CG1-CG 4.42Å; V95-F100 HydrophobicContact CG2-CB 4.05Å; V95-F100 HydrophobicContact CG2-CD1 4.1Å; V95-F100 HydrophobicContact CG2-CD2 4.09Å; V95-F100 HydrophobicContact CG2-CG 3.81Å; V95-F327 HydrophobicContact CG1-CD1 3.76Å; V95-F327 HydrophobicContact CG1-CE1 3.52Å; V95-I328 HydrophobicContact CG1-CD1 4.26Å; V95-I328 HydrophobicContact CG2-CD1 3.94Å
96	S	92.5	Very high	93.6	Very high	27 Å²	27	48.7 Å²	48.7	19%	0.189	25%	0.252	C	S	.	.			trans	-59.4	114.1	176.2	177.7	0	0	0	0	111.8	D65 V98 A99 F100	D65-S96 WeakPolarHBondContact O-CB 3.19Å; D65-S96 PolarHBondContact OD2-N 3.2Å; S96-V98 PolarHBondContact O-N 3.48Å; S96-V98 VanDerWaalsContact O-N 3.14Å; S96-A99 WeakPolarHBondContact OG-CB 3.48Å; S96-A99 PolarHBondContact OG-N 2.83Å; S96-A99 VanDerWaalsContact OG-N 3.15Å; S96-F100 WeakPolarHBondContact O-CB 3.45Å; S96-F100 PolarHBondContact O-N 3.09Å
97	K	88	Confident	93.4	Very high	194 Å²	194	50.4 Å²	50.4	84%	0.843	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.3	-177.7	-67.6	-176.4	179.6	179.5	0	113.8	V95	V95-K97 PolarHBondContact O-N 2.83Å; V95-K97 VanDerWaalsContact O-N 3.11Å
98	V	92.5	Very high	93.4	Very high	100 Å²	100	50.3 Å²	50.3	61%	0.606	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-57.2	-177.2	179	0	0	0	0	110	T70 S96 K101 A102	T70-V98 HydrophobicContact CG2-CG1 4.38Å; S96-V98 PolarHBondContact O-N 3.48Å; S96-V98 VanDerWaalsContact O-N 3.14Å; V98-K101 PolarHBondContact O-N 3.1Å; V98-A102 VanDerWaalsContact O-CB 3.32Å; V98-A102 WeakPolarHBondContact O-CB 3.37Å; V98-A102 PolarHBondContact O-N 3.3Å
99	A	93.9	Very high	93.5	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-72	-39.8	-170.7	0	0	0	0	0	112.7	I68 T70 S96 K101 A102 L103	I68-A99 HydrophobicContact CB-CB 4.3Å; I68-A99 HydrophobicContact CG1-CB 4.31Å; I68-A99 HydrophobicContact CG2-CB 3.26Å; T70-A99 HydrophobicContact CG2-CB 3.8Å; S96-A99 WeakPolarHBondContact OG-CB 3.48Å; S96-A99 PolarHBondContact OG-N 2.83Å; S96-A99 VanDerWaalsContact OG-N 3.15Å; A99-K101 VanDerWaalsContact C-N 3.34Å; A99-K101 PolarHBondContact O-N 3.48Å; A99-A102 PolarHBondContact O-N 2.94Å; A99-L103 WeakPolarHBondContact O-CB 3.24Å; A99-L103 VanDerWaalsContact O-CG 3.31Å; A99-L103 WeakPolarHBondContact O-CG 3.47Å; A99-L103 PolarHBondContact O-N 2.84Å
100	F	94.8	Very high	93.7	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.035	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-50.9	176.1	-171.4	-84.9	0	0	0	109.7	L86 V95 S96 A102 L103 E104 L323 F327 I328	L86-F100 HydrophobicContact CD2-CE2 4.27Å; V95-F100 HydrophobicContact CB-CB 4.07Å; V95-F100 HydrophobicContact CB-CD2 3.71Å; V95-F100 HydrophobicContact CB-CE2 4.3Å; V95-F100 HydrophobicContact CB-CG 3.88Å; V95-F100 HydrophobicContact CG1-CD2 3.84Å; V95-F100 HydrophobicContact CG1-CE2 3.95Å; V95-F100 HydrophobicContact CG1-CG 4.42Å; V95-F100 HydrophobicContact CG2-CB 4.05Å; V95-F100 HydrophobicContact CG2-CD1 4.1Å; V95-F100 HydrophobicContact CG2-CD2 4.09Å; V95-F100 HydrophobicContact CG2-CG 3.81Å; S96-F100 WeakPolarHBondContact O-CB 3.45Å; S96-F100 PolarHBondContact O-N 3.09Å; F100-A102 VanDerWaalsContact C-N 3.34Å; F100-A102 PolarHBondContact O-N 3.49Å; F100-L103 CarbonylContact O-C 3.51Å; F100-L103 PolarHBondContact O-N 3.28Å; F100-E104 HydrophobicContact CD1-CB 4.39Å; F100-E104 HydrophobicContact CE1-CB 4.28Å; F100-E104 WeakPolarHBondContact O-CA 3.44Å; F100-E104 VanDerWaalsContact O-CB 3.23Å; F100-E104 WeakPolarHBondContact O-CB 3.43Å; F100-E104 PolarHBondContact O-N 3.13Å; F100-L323 HydrophobicContact CE1-CB 4.35Å; F100-L323 HydrophobicContact CE2-CB 4.33Å; F100-L323 HydrophobicContact CZ-CB 3.79Å; F100-F327 HydrophobicContact CE2-CB 4.46Å; F100-F327 HydrophobicContact CE2-CD1 4.12Å; F100-F327 HydrophobicContact CZ-CB 4.04Å; F100-F327 HydrophobicContact CZ-CD1 4.27Å; F100-I328 HydrophobicContact CE1-CD1 3.99Å; F100-I328 HydrophobicContact CE1-CG1 3.67Å; F100-I328 HydrophobicContact CZ-CD1 4.02Å; F100-I328 HydrophobicContact CZ-CG1 3.93Å
101	K	94	Very high	93.9	Very high	145 Å²	145	48.3 Å²	48.3	63%	0.63	25%	0.25	S	S	*	.	H	α-helix	trans	-63.2	-37.6	178.9	-174.6	177.5	178.4	-176.9	0	112.8	V98 A99 L103 E104	V98-K101 PolarHBondContact O-N 3.1Å; A99-K101 VanDerWaalsContact C-N 3.34Å; A99-K101 PolarHBondContact O-N 3.48Å; K101-L103 VanDerWaalsContact C-N 3.3Å; K101-L103 PolarHBondContact O-N 3.36Å; K101-E104 WeakPolarHBondContact O-CG 3.37Å
102	A	93.8	Very high	94.2	Very high	66 Å²	66	48.4 Å²	48.4	55%	0.545	25%	0.251	S	S	.	.	H	α-helix	trans	-70.2	-28	179.5	0	0	0	0	0	112.8	T70 V98 A99 F100	T70-A102 HydrophobicContact CG2-CB 3.94Å; V98-A102 VanDerWaalsContact O-CB 3.32Å; V98-A102 WeakPolarHBondContact O-CB 3.37Å; V98-A102 PolarHBondContact O-N 3.3Å; A99-A102 PolarHBondContact O-N 2.94Å; F100-A102 VanDerWaalsContact C-N 3.34Å; F100-A102 PolarHBondContact O-N 3.49Å
103	L	94.4	Very high	94.3	Very high	12 Å²	12	48 Å²	48	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-116.3	5.9	-171.2	-54.3	174.8	0	0	0	113.3	I68 L73 A99 F100 K101 S105 F107 Y108	I68-L103 HydrophobicContact CD1-CD1 3.38Å; I68-L103 HydrophobicContact CG1-CD1 4.25Å; L73-L103 HydrophobicContact CD1-CD1 4.49Å; L73-L103 HydrophobicContact CD1-CD2 3.83Å; L73-L103 HydrophobicContact CD2-CD1 4.12Å; A99-L103 WeakPolarHBondContact O-CB 3.24Å; A99-L103 VanDerWaalsContact O-CG 3.31Å; A99-L103 WeakPolarHBondContact O-CG 3.47Å; A99-L103 PolarHBondContact O-N 2.84Å; F100-L103 CarbonylContact O-C 3.51Å; F100-L103 PolarHBondContact O-N 3.28Å; K101-L103 VanDerWaalsContact C-N 3.3Å; K101-L103 PolarHBondContact O-N 3.36Å; L103-S105 PolarHBondContact O-N 2.95Å; L103-S105 VanDerWaalsContact O-N 3.09Å; L103-F107 HydrophobicContact CB-CB 4.13Å; L103-F107 HydrophobicContact CB-CD1 4.06Å; L103-F107 HydrophobicContact CB-CG 4.15Å; L103-F107 HydrophobicContact CD1-CD1 4.17Å; L103-F107 HydrophobicContact CD1-CE1 4.06Å; L103-F107 HydrophobicContact CD1-CZ 4.46Å; L103-F107 HydrophobicContact CD2-CB 4.3Å; L103-F107 HydrophobicContact CD2-CD1 4.14Å; L103-F107 HydrophobicContact CD2-CD2 3.78Å; L103-F107 HydrophobicContact CD2-CE1 4.4Å; L103-F107 HydrophobicContact CD2-CE2 4.07Å; L103-F107 HydrophobicContact CD2-CG 3.81Å; L103-F107 HydrophobicContact CD2-CZ 4.37Å; L103-F107 HydrophobicContact CG-CD1 4.35Å; L103-F107 HydrophobicContact CG-CG 4.42Å; L103-Y108 HydrophobicContact CB-CE2 3.65Å; L103-Y108 WeakPolarHBondContact O-CD2 3.09Å
104	E	93.7	Very high	94.3	Very high	35 Å²	35	45.3 Å²	45.3	16%	0.164	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.6	-172.6	63.5	-174	-161.7	0	0	114.3	F100 K101 L323	F100-E104 HydrophobicContact CD1-CB 4.39Å; F100-E104 HydrophobicContact CE1-CB 4.28Å; F100-E104 WeakPolarHBondContact O-CA 3.44Å; F100-E104 VanDerWaalsContact O-CB 3.23Å; F100-E104 WeakPolarHBondContact O-CB 3.43Å; F100-E104 PolarHBondContact O-N 3.13Å; K101-E104 WeakPolarHBondContact O-CG 3.37Å; E104-L323 HydrophobicContact CB-CB 4.17Å; E104-L323 WeakPolarHBondContact O-CB 3.31Å; E104-L323 PolarHBondContact O-N 3.5Å; E104-L323 VanDerWaalsContact O-N 3.09Å
105	S	91.9	Very high	94.4	Very high	57 Å²	57	42.8 Å²	42.8	40%	0.399	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-129.6	140.2	-179.2	-63.4	0	0	0	0	111.5	L103 F107	L103-S105 PolarHBondContact O-N 2.95Å; L103-S105 VanDerWaalsContact O-N 3.09Å; S105-F107 PolarHBondContact O-N 3.37Å
106	H	86.4	Confident	94.4	Very high	173 Å²	173	46.8 Å²	46.8	80%	0.801	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	3.6	171.3	-52.8	-62.9	0	0	0	117.9
107	F	94.7	Very high	94.6	Very high	37 Å²	37	48 Å²	48	16%	0.162	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-52.7	177.8	-173	-100.9	0	0	0	112.6	F63 L73 F84 L103 S105	F63-F107 HydrophobicContact CD1-CE1 4.49Å; F63-F107 HydrophobicContact CD2-CE1 4.22Å; F63-F107 HydrophobicContact CE1-CE1 4.28Å; F63-F107 HydrophobicContact CE1-CZ 4.14Å; F63-F107 HydrophobicContact CE2-CE1 4.01Å; F63-F107 HydrophobicContact CE2-CZ 4.33Å; F63-F107 HydrophobicContact CG-CE1 4.46Å; F63-F107 HydrophobicContact CZ-CE1 4.03Å; F63-F107 AromaticContact CZ-CZ 3.92Å; F63-F107 HydrophobicContact CZ-CZ 3.92Å; L73-F107 HydrophobicContact CD1-CE2 4.34Å; L73-F107 HydrophobicContact CD2-CZ 4.12Å; F84-F107 WeakPolarHBondContact CB-O 3.44Å; F84-F107 HydrophobicContact CD2-CD1 4.08Å; F84-F107 HydrophobicContact CD2-CD2 4.24Å; F84-F107 AromaticContact CD2-CE1 3.71Å; F84-F107 HydrophobicContact CD2-CE1 3.71Å; F84-F107 AromaticContact CD2-CE2 3.88Å; F84-F107 HydrophobicContact CD2-CE2 3.88Å; F84-F107 HydrophobicContact CD2-CG 4.34Å; F84-F107 AromaticContact CD2-CZ 3.6Å; F84-F107 HydrophobicContact CD2-CZ 3.6Å; F84-F107 HydrophobicContact CE2-CD2 4.38Å; F84-F107 HydrophobicContact CE2-CE1 4.22Å; F84-F107 AromaticContact CE2-CE2 3.72Å; F84-F107 HydrophobicContact CE2-CE2 3.72Å; F84-F107 AromaticContact CE2-CZ 3.62Å; F84-F107 HydrophobicContact CE2-CZ 3.62Å; L103-F107 HydrophobicContact CB-CB 4.13Å; L103-F107 HydrophobicContact CB-CD1 4.06Å; L103-F107 HydrophobicContact CB-CG 4.15Å; L103-F107 HydrophobicContact CD1-CD1 4.17Å; L103-F107 HydrophobicContact CD1-CE1 4.06Å; L103-F107 HydrophobicContact CD1-CZ 4.46Å; L103-F107 HydrophobicContact CD2-CB 4.3Å; L103-F107 HydrophobicContact CD2-CD1 4.14Å; L103-F107 HydrophobicContact CD2-CD2 3.78Å; L103-F107 HydrophobicContact CD2-CE1 4.4Å; L103-F107 HydrophobicContact CD2-CE2 4.07Å; L103-F107 HydrophobicContact CD2-CG 3.81Å; L103-F107 HydrophobicContact CD2-CZ 4.37Å; L103-F107 HydrophobicContact CG-CD1 4.35Å; L103-F107 HydrophobicContact CG-CG 4.42Å; S105-F107 PolarHBondContact O-N 3.37Å
108	Y	96.7	Very high	95.1	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.203	C	C	.	.			trans	-86.7	156	-177.7	-57.6	-76.6	0	0	0	112.5	F63 F84 L86 L103 L323	F63-Y108 HydrophobicContact CB-CE1 3.94Å; F63-Y108 HydrophobicContact CD2-CD1 4.35Å; F63-Y108 AromaticContact CD2-CE1 3.8Å; F63-Y108 HydrophobicContact CD2-CE1 3.8Å; F63-Y108 HydrophobicContact CG-CE1 4.07Å; F84-Y108 HydrophobicContact CB-CD1 4.35Å; F84-Y108 CarbonylContact O-C 3.6Å; F84-Y108 WeakPolarHBondContact O-CA 3.41Å; L86-Y108 HydrophobicContact CB-CD1 3.74Å; L86-Y108 HydrophobicContact CB-CD2 4.13Å; L86-Y108 HydrophobicContact CB-CE1 3.92Å; L86-Y108 HydrophobicContact CB-CE2 4.26Å; L86-Y108 HydrophobicContact CB-CG 3.83Å; L86-Y108 HydrophobicContact CD1-CE1 4.24Å; L86-Y108 HydrophobicContact CD1-CE2 4.01Å; L86-Y108 VanDerWaalsContact N-CD1 3.26Å; L103-Y108 HydrophobicContact CB-CE2 3.65Å; L103-Y108 WeakPolarHBondContact O-CD2 3.09Å; Y108-L323 HydrophobicContact CD2-CD1 3.35Å; Y108-L323 HydrophobicContact CE2-CD1 3.78Å; Y108-L323 HydrophobicContact CG-CD1 4.3Å
109	T	97.6	Very high	95.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.184	C	C	.	.	S	Bend	trans	-117.3	-20.9	171.2	58.5	0	0	0	0	114.1	H83 F84 I314 P316 S317 A320	H83-T109 VanDerWaalsContact CA-OG1 3.22Å; H83-T109 WeakPolarHBondContact CA-OG1 3.35Å; H83-T109 WeakPolarHBondContact CB-OG1 2.91Å; H83-T109 PolarHBondContact ND1-OG1 3.44Å; F84-T109 PolarHBondContact N-OG1 3.17Å; F84-T109 VanDerWaalsContact N-OG1 3.14Å; F84-T109 PolarHBondContact O-N 3.28Å; F84-T109 PolarHBondContact O-OG1 3.14Å; T109-I314 HydrophobicContact CG2-CG2 4.1Å; T109-P316 HydrophobicContact CG2-CB 4.41Å; T109-P316 HydrophobicContact CG2-CG 4.12Å; T109-S317 PolarHBondContact O-N 3.34Å; T109-A320 WeakPolarHBondContact O-CB 3.45Å
110	L	98.5	Very high	95.6	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.3	175.8	-66.5	172.9	0	0	0	111	H83 F84 V85 L86 D119 L120 L301 K304	H83-L110 HydrophobicContact CB-CD1 4.16Å; H83-L110 VanDerWaalsContact ND1-CD1 3.29Å; H83-L110 WeakPolarHBondContact ND1-CD1 3.4Å; H83-L110 WeakPolarHBondContact ND1-CG 3.47Å; F84-L110 PolarHBondContact O-N 3.01Å; V85-L110 WeakPolarHBondContact CA-O 3.38Å; V85-L110 HydrophobicContact CG1-CB 4.28Å; V85-L110 HydrophobicContact CG2-CB 4.27Å; V85-L110 HydrophobicContact CG2-CD1 4.45Å; L86-L110 PolarHBondContact N-O 2.79Å; L110-D119 HydrophobicContact CB-CB 4.49Å; L110-D119 HydrophobicContact CD2-CB 3.86Å; L110-L120 HydrophobicContact CB-CD1 4.34Å; L110-L120 HydrophobicContact CD1-CD1 4.29Å; L110-L301 HydrophobicContact CD1-CD1 4.13Å; L110-K304 HydrophobicContact CD1-CG 3.89Å
111	T	98.6	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.8	175.3	54.8	0	0	0	0	110.8	D119 L120 K319 A320 L323 W326	T111-D119 PolarHBondContact N-OD2 2.95Å; T111-D119 PolarHBondContact O-N 3.37Å; T111-D119 VanDerWaalsContact O-N 3.15Å; T111-D119 VanDerWaalsContact OG1-CG 3.29Å; T111-D119 PolarHBondContact OG1-N 2.77Å; T111-D119 PolarHBondContact OG1-OD2 2.87Å; T111-L120 PolarHBondContact O-N 2.85Å; T111-K319 HydrophobicContact CG2-CB 3.97Å; T111-A320 HydrophobicContact CG2-CB 4.12Å; T111-L323 HydrophobicContact CG2-CD2 3.54Å; T111-W326 HydrophobicContact CG2-CE3 3.79Å; T111-W326 HydrophobicContact CG2-CH2 3.92Å; T111-W326 HydrophobicContact CG2-CZ3 3.38Å
112	M	98.6	Very high	95.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	110.9	176.8	-170.4	164.9	71.2	0	0	109.1	V62 V85 L86 F87 V88 L120 T122 M298	V62-M112 HydrophobicContact CG1-CE 3.89Å; V85-M112 HydrophobicContact CG1-CB 3.83Å; L86-M112 WeakPolarHBondContact O-CA 3.49Å; L86-M112 WeakPolarHBondContact O-CB 3.49Å; L86-M112 PolarHBondContact O-N 2.97Å; F87-M112 WeakPolarHBondContact CA-O 3.32Å; F87-M112 HydrophobicContact CB-CE 3.65Å; F87-M112 HydrophobicContact CD1-CE 3.78Å; F87-M112 HydrophobicContact CD2-CB 4.2Å; F87-M112 HydrophobicContact CD2-CE 3.41Å; F87-M112 VanDerWaalsContact CD2-CE 3.41Å; F87-M112 HydrophobicContact CD2-CG 3.93Å; F87-M112 HydrophobicContact CD2-SD 4.47Å; F87-M112 HydrophobicContact CE1-CE 4.26Å; F87-M112 HydrophobicContact CE2-CE 3.94Å; F87-M112 HydrophobicContact CE2-CG 4.37Å; F87-M112 HydrophobicContact CG-CE 3.32Å; F87-M112 HydrophobicContact CZ-CE 4.35Å; V88-M112 PolarHBondContact N-O 3.37Å; M112-L120 WeakPolarHBondContact CA-O 2.95Å; M112-L120 HydrophobicContact CB-CB 3.87Å; M112-L120 HydrophobicContact CB-CD1 4.06Å; M112-L120 HydrophobicContact CG-CB 3.76Å; M112-L120 HydrophobicContact CG-CD1 4.33Å; M112-L120 HydrophobicContact SD-CB 4.34Å; M112-L120 HydrophobicContact SD-CD1 4.2Å; M112-T122 HydrophobicContact CG-CG2 4.4Å; M112-T122 WeakPolarHBondContact CG-OG1 3.39Å; M112-M298 HydrophobicContact CE-CE 3.64Å; M112-M298 HydrophobicContact CE-SD 4.3Å; M112-M298 HydrophobicContact SD-CE 4.48Å
113	S	97.3	Very high	95.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	172.8	-174.6	74.9	0	0	0	0	113.7	V88 R115 S118 L120 T122	V88-S113 WeakPolarHBondContact O-CA 3.31Å; V88-S113 WeakPolarHBondContact O-CB 3.42Å; S113-R115 PolarHBondContact O-N 2.95Å; S113-R115 PolarHBondContact OG-N 3.35Å; S113-S118 PolarHBondContact O-OG 2.91Å; S113-S118 VanDerWaalsContact OG-CB 3.31Å; S113-S118 WeakPolarHBondContact OG-CB 3.46Å; S113-L120 PolarHBondContact N-O 3.01Å; S113-T122 CarbonylContact C-O 3.59Å; S113-T122 PolarHBondContact O-N 3.21Å
114	Y	94.6	Very high	95.6	Very high	7 Å²	7	29 Å²	29	3%	0.027	14%	0.14	C	C	.	.	S	Bend	trans	-65.4	-14.1	172.2	73.2	-94.2	0	0	0	114.3	M89 E90 R116 F121 T122 K222 D223 F224 F327	M89-Y114 WeakPolarHBondContact O-CD1 3.46Å; E90-Y114 WeakPolarHBondContact O-CE1 3.29Å; Y114-R116 PolarHBondContact O-N 2.94Å; Y114-F121 WeakPolarHBondContact O-CE2 3.41Å; Y114-T122 VanDerWaalsContact CA-O 3.3Å; Y114-T122 WeakPolarHBondContact CA-O 3.38Å; Y114-T122 PolarHBondContact N-O 3.39Å; Y114-K222 WeakPolarHBondContact CE2-O 3.23Å; Y114-D223 HydrophobicContact CD2-CB 4.44Å; Y114-D223 WeakPolarHBondContact CD2-O 3.37Å; Y114-F224 AromaticContact CD1-CD2 3.79Å; Y114-F224 HydrophobicContact CD1-CD2 3.79Å; Y114-F224 HydrophobicContact CD1-CE2 4.22Å; Y114-F224 HydrophobicContact CD2-CB 4.11Å; Y114-F224 AromaticContact CD2-CD2 3.89Å; Y114-F224 HydrophobicContact CD2-CD2 3.89Å; Y114-F224 AromaticContact CE1-CD2 3.61Å; Y114-F224 HydrophobicContact CE1-CD2 3.61Å; Y114-F224 HydrophobicContact CE1-CE2 4.15Å; Y114-F224 HydrophobicContact CE2-CB 3.6Å; Y114-F224 AromaticContact CE2-CD2 3.73Å; Y114-F224 HydrophobicContact CE2-CD2 3.73Å; Y114-F224 HydrophobicContact CE2-CG 4.15Å; Y114-F224 AromaticContact CG-CD2 3.93Å; Y114-F224 HydrophobicContact CG-CD2 3.93Å; Y114-F224 AromaticContact CZ-CD2 3.59Å; Y114-F327 HydrophobicContact CE1-CE2 4.37Å; Y114-F327 AromaticContact CE1-CZ 3.9Å; Y114-F327 HydrophobicContact CE1-CZ 3.9Å
115	R	95.7	Very high	95.2	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.011	15%	0.146	C	C	.	.	S	Bend	trans	-70.2	132.2	177.4	-71	-179.3	60.5	146.5	-6.3	110.4	S113 D117 S118 F121 W326 F327 Q330	S113-R115 PolarHBondContact O-N 2.95Å; S113-R115 PolarHBondContact OG-N 3.35Å; R115-D117 VanDerWaalsContact CB-OD1 3.31Å; R115-D117 WeakPolarHBondContact CB-OD1 3.29Å; R115-D117 IonicContact CZ-OD1 2.69Å; R115-D117 IonicContact CZ-OD2 2.75Å; R115-D117 IonicContact NE-OD1 2.67Å; R115-D117 PolarHBondContact NE-OD1 2.9Å; R115-D117 IonicContact NE-OD2 3.26Å; R115-D117 IonicContact NH2-OD1 3.01Å; R115-D117 PolarHBondContact NH2-OD1 3.02Å; R115-D117 IonicContact NH2-OD2 3.72Å; R115-D117 PolarHBondContact NH2-OD2 3.29Å; R115-D117 PolarHBondContact O-N 2.86Å; R115-S118 WeakPolarHBondContact O-CB 3.4Å; R115-S118 PolarHBondContact O-N 3.04Å; R115-S118 PolarHBondContact O-OG 3.16Å; R115-F121 WeakPolarHBondContact O-CD2 3.42Å; R115-W326 HydrophobicContact CB-CZ2 4.17Å; R115-W326 VanDerWaalsContact CZ-O 3.24Å; R115-W326 PolarHBondContact NH1-O 3.35Å; R115-W326 PolarHBondContact NH2-O 3Å; R115-F327 HydrophobicContact CG-CD2 4.49Å; R115-F327 HydrophobicContact CG-CE2 4.08Å; R115-Q330 PolarHBondContact NH1-O 3.13Å; R115-Q330 PolarHBondContact NH2-O 3.49Å
116	R	95.1	Very high	95.2	Very high	106 Å²	106	28.4 Å²	28.4	40%	0.4	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.6	179.1	-73.3	-176	-72.7	154.2	4.1	113.3	Y114 F121 D223 P242 L243	Y114-R116 PolarHBondContact O-N 2.94Å; R116-F121 HydrophobicContact CG-CD2 4.37Å; R116-F121 HydrophobicContact CG-CE1 4.35Å; R116-F121 HydrophobicContact CG-CE2 3.89Å; R116-F121 HydrophobicContact CG-CZ 3.88Å; R116-D223 WeakPolarHBondContact CB-OD2 3.43Å; R116-D223 IonicContact CZ-OD1 2.91Å; R116-D223 VanDerWaalsContact CZ-OD1 3.24Å; R116-D223 PolarHBondContact N-OD2 3.13Å; R116-D223 VanDerWaalsContact N-OD2 3.13Å; R116-D223 VanDerWaalsContact NE-CG 3.33Å; R116-D223 IonicContact NE-OD1 3.25Å; R116-D223 PolarHBondContact NE-OD1 2.78Å; R116-D223 IonicContact NE-OD2 2.78Å; R116-D223 PolarHBondContact NE-OD2 3.3Å; R116-D223 IonicContact NH2-OD1 2.71Å; R116-D223 PolarHBondContact NH2-OD1 3.09Å; R116-D223 IonicContact NH2-OD2 3.76Å; R116-P242 VanDerWaalsContact CZ-CB 3.47Å; R116-P242 VanDerWaalsContact NH1-CB 3.26Å; R116-L243 VanDerWaalsContact CD-CD2 3.41Å; R116-L243 HydrophobicContact CG-CD2 3.85Å
117	D	96.2	Very high	95.4	Very high	53 Å²	53	21.6 Å²	21.6	28%	0.283	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	3.6	178.4	70	-4	0	0	0	113.3	R115 K319 W326	R115-D117 VanDerWaalsContact CB-OD1 3.31Å; R115-D117 WeakPolarHBondContact CB-OD1 3.29Å; R115-D117 IonicContact CZ-OD1 2.69Å; R115-D117 IonicContact CZ-OD2 2.75Å; R115-D117 IonicContact NE-OD1 2.67Å; R115-D117 PolarHBondContact NE-OD1 2.9Å; R115-D117 IonicContact NE-OD2 3.26Å; R115-D117 IonicContact NH2-OD1 3.01Å; R115-D117 PolarHBondContact NH2-OD1 3.02Å; R115-D117 IonicContact NH2-OD2 3.72Å; R115-D117 PolarHBondContact NH2-OD2 3.29Å; R115-D117 PolarHBondContact O-N 2.86Å; D117-K319 WeakPolarHBondContact O-CD 3.14Å; D117-K319 WeakPolarHBondContact O-CE 3.44Å; D117-K319 PolarHBondContact O-NZ 2.65Å; D117-W326 PolarHBondContact OD1-NE1 3.09Å; D117-W326 VanDerWaalsContact OD1-NE1 3.08Å; D117-W326 PolarHBondContact OD2-NE1 3.46Å
118	S	98.2	Very high	95.3	Very high	9 Å²	9	25.3 Å²	25.3	6%	0.063	12%	0.121	C	C	.	.	S	Bend	trans	-64.1	162.9	171.1	58.4	0	0	0	0	112.1	S113 R115 L120 F121 K319	S113-S118 PolarHBondContact O-OG 2.91Å; S113-S118 VanDerWaalsContact OG-CB 3.31Å; S113-S118 WeakPolarHBondContact OG-CB 3.46Å; R115-S118 WeakPolarHBondContact O-CB 3.4Å; R115-S118 PolarHBondContact O-N 3.04Å; R115-S118 PolarHBondContact O-OG 3.16Å; S118-L120 PolarHBondContact O-N 2.92Å; S118-L120 PolarHBondContact OG-O 3.07Å; S118-F121 WeakPolarHBondContact OG-CA 3.45Å; S118-F121 PolarHBondContact OG-N 2.79Å; S118-K319 PolarHBondContact O-NZ 3.04Å
119	D	98.5	Very high	95.2	Very high	39 Å²	39	29.6 Å²	29.6	21%	0.209	15%	0.149	C	C	.	.	S	Bend	trans	-66	-33.5	175.4	-56.1	-49.6	0	0	0	111	L110 T111 S317 K319	L110-D119 HydrophobicContact CB-CB 4.49Å; L110-D119 HydrophobicContact CD2-CB 3.86Å; T111-D119 PolarHBondContact N-OD2 2.95Å; T111-D119 PolarHBondContact O-N 3.37Å; T111-D119 VanDerWaalsContact O-N 3.15Å; T111-D119 VanDerWaalsContact OG1-CG 3.29Å; T111-D119 PolarHBondContact OG1-N 2.77Å; T111-D119 PolarHBondContact OG1-OD2 2.87Å; D119-S317 VanDerWaalsContact CG-OG 3.31Å; D119-S317 WeakPolarHBondContact OD1-CB 3.43Å; D119-S317 PolarHBondContact OD1-OG 2.83Å; D119-S317 VanDerWaalsContact OD2-CB 3.3Å; D119-S317 WeakPolarHBondContact OD2-CB 3.4Å; D119-S317 PolarHBondContact OD2-OG 3.12Å; D119-K319 WeakPolarHBondContact OD1-CE 3.16Å; D119-K319 IonicContact OD1-NZ 3.31Å; D119-K319 PolarHBondContact OD1-NZ 3.48Å
120	L	98.5	Very high	95	Very high	4 Å²	4	33 Å²	33	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	85.7	-178.3	-53	171.1	0	0	0	109.4	V85 L110 T111 M112 S113 S118 T122 Q300 L301	V85-L120 HydrophobicContact CG1-CD1 3.89Å; L110-L120 HydrophobicContact CB-CD1 4.34Å; L110-L120 HydrophobicContact CD1-CD1 4.29Å; T111-L120 PolarHBondContact O-N 2.85Å; M112-L120 WeakPolarHBondContact CA-O 2.95Å; M112-L120 HydrophobicContact CB-CB 3.87Å; M112-L120 HydrophobicContact CB-CD1 4.06Å; M112-L120 HydrophobicContact CG-CB 3.76Å; M112-L120 HydrophobicContact CG-CD1 4.33Å; M112-L120 HydrophobicContact SD-CB 4.34Å; M112-L120 HydrophobicContact SD-CD1 4.2Å; S113-L120 PolarHBondContact N-O 3.01Å; S118-L120 PolarHBondContact O-N 2.92Å; S118-L120 PolarHBondContact OG-O 3.07Å; L120-T122 PolarHBondContact O-N 2.92Å; L120-T122 VanDerWaalsContact O-N 3.16Å; L120-T122 PolarHBondContact O-OG1 3.03Å; L120-Q300 HydrophobicContact CD2-CB 3.78Å; L120-L301 HydrophobicContact CD1-CB 3.87Å; L120-L301 HydrophobicContact CD1-CD1 3.84Å; L120-L301 HydrophobicContact CD1-CG 4.33Å; L120-L301 HydrophobicContact CD2-CB 4.4Å
121	F	97.6	Very high	94.8	Very high	41 Å²	41	42.9 Å²	42.9	18%	0.18	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	114.4	-178.9	174.2	-131	0	0	0	112.6	Y114 R115 R116 S118 P123 K296 Q300	Y114-F121 WeakPolarHBondContact O-CE2 3.41Å; R115-F121 WeakPolarHBondContact O-CD2 3.42Å; R116-F121 HydrophobicContact CG-CD2 4.37Å; R116-F121 HydrophobicContact CG-CE1 4.35Å; R116-F121 HydrophobicContact CG-CE2 3.89Å; R116-F121 HydrophobicContact CG-CZ 3.88Å; S118-F121 WeakPolarHBondContact OG-CA 3.45Å; S118-F121 PolarHBondContact OG-N 2.79Å; F121-P123 HydrophobicContact CE1-CG 3.96Å; F121-P123 HydrophobicContact CE2-CB 3.77Å; F121-P123 HydrophobicContact CE2-CG 3.93Å; F121-P123 HydrophobicContact CZ-CB 3.7Å; F121-P123 HydrophobicContact CZ-CG 3.58Å; F121-K296 HydrophobicContact CD1-CD 4.5Å; F121-Q300 PolarHBondContact O-OE1 3.1Å; F121-Q300 VanDerWaalsContact O-OE1 3.08Å
122	T	96.2	Very high	94.7	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.24	C	C	.	.			trans	-132.1	74.9	-169.5	-52.5	0	0	0	0	109.3	F87 M89 M112 S113 Y114 L120 G293 I294 G297	F87-T122 HydrophobicContact CE2-CG2 3.87Å; F87-T122 HydrophobicContact CZ-CG2 4.41Å; M89-T122 HydrophobicContact SD-CG2 4Å; M89-T122 VanDerWaalsContact SD-O 3.37Å; M112-T122 HydrophobicContact CG-CG2 4.4Å; M112-T122 WeakPolarHBondContact CG-OG1 3.39Å; S113-T122 CarbonylContact C-O 3.59Å; S113-T122 PolarHBondContact O-N 3.21Å; Y114-T122 VanDerWaalsContact CA-O 3.3Å; Y114-T122 WeakPolarHBondContact CA-O 3.38Å; Y114-T122 PolarHBondContact N-O 3.39Å; L120-T122 PolarHBondContact O-N 2.92Å; L120-T122 VanDerWaalsContact O-N 3.16Å; L120-T122 PolarHBondContact O-OG1 3.03Å; T122-G293 WeakPolarHBondContact CG2-O 3.41Å; T122-I294 HydrophobicContact CG2-CG1 4.26Å; T122-G297 WeakPolarHBondContact OG1-CA 3.4Å
123	P	93.9	Very high	94.6	Very high	11 Å²	11	54.5 Å²	54.5	7%	0.071	26%	0.263	C	S	.	.			trans	-71.1	166.8	177.1	31.4	-35.4	0	0	0	111.5	F121 F126 G293	F121-P123 HydrophobicContact CE1-CG 3.96Å; F121-P123 HydrophobicContact CE2-CB 3.77Å; F121-P123 HydrophobicContact CE2-CG 3.93Å; F121-P123 HydrophobicContact CZ-CB 3.7Å; F121-P123 HydrophobicContact CZ-CG 3.58Å; P123-F126 HydrophobicContact CG-CB 4.22Å; P123-F126 HydrophobicContact CG-CD1 3.83Å; P123-F126 HydrophobicContact CG-CG 4.38Å; P123-G293 CarbonylContact O-C 3.6Å; P123-G293 WeakPolarHBondContact O-CA 3.4Å
124	Y	88.7	Confident	94.4	Very high	23 Å²	23	58.2 Å²	58.2	9%	0.09	28%	0.282	C	S	.	.	S	Bend	trans	-67	-52.3	169.7	-76.2	-89.8	0	0	0	111	M89 F224 T226 F290	M89-Y124 HydrophobicContact CB-CE1 4.46Å; M89-Y124 HydrophobicContact CB-CE2 4.33Å; M89-Y124 WeakPolarHBondContact CB-OH 3.37Å; M89-Y124 HydrophobicContact CE-CD1 3.72Å; M89-Y124 HydrophobicContact CE-CD2 3.81Å; M89-Y124 HydrophobicContact CE-CE1 3.76Å; M89-Y124 HydrophobicContact CE-CE2 3.85Å; M89-Y124 HydrophobicContact CE-CG 3.76Å; M89-Y124 WeakPolarHBondContact O-CE2 3.35Å; M89-Y124 PolarHBondContact O-OH 3.46Å; M89-Y124 VanDerWaalsContact O-OH 3.13Å; Y124-F224 HydrophobicContact CE2-CE2 4.01Å; Y124-T226 HydrophobicContact CD2-CG2 3.89Å; Y124-T226 HydrophobicContact CE2-CG2 3.94Å; Y124-T226 HydrophobicContact CG-CG2 4.34Å; Y124-F290 AromaticContact CD1-CD2 3.91Å; Y124-F290 HydrophobicContact CD1-CD2 3.91Å; Y124-F290 HydrophobicContact CD1-CE2 4.21Å; Y124-F290 WeakPolarHBondContact O-CA 3.19Å; Y124-F290 PolarHBondContact O-N 2.82Å
125	G	86.9	Confident	94.4	Very high	29 Å²	29	67.5 Å²	67.5	30%	0.299	32%	0.323	S	S	.	.	S	Bend	trans	-144.6	168.7	171.7	0	0	0	0	0	110.1	V288	G125-V288 CarbonylContact C-O 3.59Å; G125-V288 VanDerWaalsContact CA-O 3.25Å; G125-V288 WeakPolarHBondContact CA-O 3.12Å
126	F	90.6	Very high	94.2	Very high	51 Å²	51	69 Å²	69	22%	0.224	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	160.2	-178.9	58.3	-84.3	0	0	0	112	P123 R128 V288 K296	P123-F126 HydrophobicContact CG-CB 4.22Å; P123-F126 HydrophobicContact CG-CD1 3.83Å; P123-F126 HydrophobicContact CG-CG 4.38Å; F126-R128 HydrophobicContact CE2-CB 4.47Å; F126-V288 HydrophobicContact CD1-CB 4.19Å; F126-V288 HydrophobicContact CD2-CB 4.13Å; F126-V288 HydrophobicContact CD2-CG2 4Å; F126-V288 HydrophobicContact CE1-CB 3.96Å; F126-V288 HydrophobicContact CE1-CG1 3.87Å; F126-V288 HydrophobicContact CE2-CB 3.89Å; F126-V288 HydrophobicContact CE2-CG1 4.27Å; F126-V288 HydrophobicContact CE2-CG2 3.61Å; F126-V288 HydrophobicContact CG-CB 4.28Å; F126-V288 HydrophobicContact CZ-CB 3.8Å; F126-V288 HydrophobicContact CZ-CG1 3.72Å; F126-V288 HydrophobicContact CZ-CG2 3.94Å; F126-V288 PolarHBondContact N-O 3.22Å; F126-V288 WeakPolarHBondContact O-CB 3.07Å; F126-V288 PolarHBondContact O-N 2.98Å; F126-K296 HydrophobicContact CE1-CD 4.37Å
127	V	91.2	Very high	94.1	Very high	29 Å²	29	68.1 Å²	68.1	18%	0.176	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	148.7	167.8	-67.6	0	0	0	0	110.5	L243 L244 P245 W281 E286 V287	V127-L243 WeakPolarHBondContact CG2-O 3.16Å; V127-L244 HydrophobicContact CG1-CD2 4.29Å; V127-P245 HydrophobicContact CB-CG 4.42Å; V127-P245 HydrophobicContact CG1-CG 4.48Å; V127-P245 HydrophobicContact CG2-CG 4.07Å; V127-W281 HydrophobicContact CG1-CH2 4.13Å; V127-W281 HydrophobicContact CG1-CZ3 3.9Å; V127-E286 WeakPolarHBondContact CA-O 3.43Å; V127-V287 HydrophobicContact CG1-CG2 4.35Å
128	R	91.3	Very high	93.8	Very high	116 Å²	116	70.9 Å²	70.9	44%	0.438	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.7	168.4	70.3	-179.9	-173.5	-162.2	-4.2	111.5	F126 R130 Y285 E286 V288	F126-R128 HydrophobicContact CE2-CB 4.47Å; R128-R130 PolarHBondContact O-N 3.44Å; R128-Y285 CarbonylContact O-C 3.59Å; R128-Y285 VanDerWaalsContact O-CA 3.25Å; R128-Y285 WeakPolarHBondContact O-CA 3.48Å; R128-Y285 WeakPolarHBondContact O-CB 3.45Å; R128-E286 HydrophobicContact CG-CG 3.75Å; R128-E286 IonicContact CZ-OE1 3.2Å; R128-E286 PolarHBondContact N-O 3.38Å; R128-E286 IonicContact NE-OE1 2.73Å; R128-E286 PolarHBondContact NE-OE1 2.83Å; R128-E286 IonicContact NH2-OE1 2.8Å; R128-E286 PolarHBondContact NH2-OE1 3.4Å; R128-E286 PolarHBondContact O-N 3.27Å; R128-V288 HydrophobicContact CG-CG2 3.95Å
129	P	95.1	Very high	93.6	Very high	91 Å²	91	73.9 Å²	73.9	59%	0.591	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	138.2	172	-23	33.6	0	0	0	111.1	Y285	P129-Y285 HydrophobicContact CG-CD1 4.25Å; P129-Y285 HydrophobicContact CG-CE1 4.01Å
130	R	93	Very high	93.2	Very high	71 Å²	71	77.2 Å²	77.2	27%	0.268	39%	0.386	S	S	.	.			trans	-68.7	144.6	171.3	-66.5	-177.7	178.9	-76.6	-1.4	109.6	R128 K132 K282 F284 Y285 E286	R128-R130 PolarHBondContact O-N 3.44Å; R130-K132 WeakPolarHBondContact CB-O 3.33Å; R130-K132 PolarHBondContact O-N 3.36Å; R130-K282 PolarHBondContact NE-O 2.94Å; R130-K282 PolarHBondContact NH2-O 2.98Å; R130-F284 PolarHBondContact N-O 2.83Å; R130-Y285 PolarHBondContact NE-O 3.25Å; R130-Y285 VanDerWaalsContact NE-O 3.15Å; R130-Y285 PolarHBondContact NH2-O 2.77Å; R130-E286 HydrophobicContact CG-CB 4.14Å; R130-E286 HydrophobicContact CG-CG 4.43Å; R130-E286 IonicContact NH1-OE2 2.92Å
131	K	95.8	Very high	92.8	Very high	216 Å²	216	78.3 Å²	78.3	94%	0.939	39%	0.389	S	S	*	.	S	Bend	trans	-60	-36.1	169.7	-66.4	-174.9	-179.9	-178.7	0	111.8
132	K	96.2	Very high	92.5	Very high	172 Å²	172	80.7 Å²	80.7	75%	0.748	40%	0.4	S	S	*	.	S	Bend	trans	-131.8	123.8	174.8	-175.2	177.7	178.7	178.7	0	109.2	R130	R130-K132 WeakPolarHBondContact CB-O 3.33Å; R130-K132 PolarHBondContact O-N 3.36Å
133	P	96.3	Very high	92.3	Very high	74 Å²	74	88.7 Å²	88.7	48%	0.481	43%	0.431	S	S	.	.			trans	-59.1	146	173.1	-25	34.7	0	0	0	112.1	D283 F284	P133-D283 CarbonylContact C-O 3.48Å; P133-D283 VanDerWaalsContact CA-O 3.24Å; P133-D283 WeakPolarHBondContact CA-O 3.35Å; P133-F284 HydrophobicContact CB-CD1 4.21Å; P133-F284 HydrophobicContact CB-CE1 4.42Å; P133-F284 HydrophobicContact CG-CD1 4.44Å
134	L	93.2	Very high	91.9	Very high	78 Å²	78	89.4 Å²	89.4	41%	0.408	44%	0.435	S	S	.	.			trans	-85.3	164.5	169.7	-53.8	177.7	0	0	0	110	D283	L134-D283 HydrophobicContact CB-CB 4.38Å; L134-D283 PolarHBondContact N-O 3.47Å
135	K	94.1	Very high	92	Very high	202 Å²	202	88.3 Å²	88.3	88%	0.878	43%	0.431	S	S	*	.			trans	-126.2	75.8	168.3	-68.3	-174.4	178.6	-176.4	0	107.5	P137	K135-P137 WeakPolarHBondContact O-CD 3.14Å
136	T	91.8	Very high	92.3	Very high	33 Å²	33	91 Å²	91	20%	0.202	44%	0.438	C	S	.	.			trans	-75.8	123.3	-173.2	-58	0	0	0	0	109.9	Y138 F140 W141 D283	T136-Y138 PolarHBondContact O-N 3.4Å; T136-F140 HydrophobicContact CG2-CB 3.93Å; T136-F140 HydrophobicContact CG2-CD1 3.45Å; T136-F140 VanDerWaalsContact CG2-CD1 3.45Å; T136-F140 HydrophobicContact CG2-CE1 4.25Å; T136-F140 HydrophobicContact CG2-CG 3.91Å; T136-W141 HydrophobicContact CG2-CD2 4.34Å; T136-W141 HydrophobicContact CG2-CZ2 3.85Å; T136-D283 WeakPolarHBondContact CB-OD1 3.44Å; T136-D283 PolarHBondContact N-OD1 2.84Å; T136-D283 PolarHBondContact N-OD2 2.9Å; T136-D283 VanDerWaalsContact N-OD2 3.14Å; T136-D283 PolarHBondContact OG1-OD1 3.15Å
137	P	93.3	Very high	92.4	Very high	89 Å²	89	90.8 Å²	90.8	58%	0.578	44%	0.443	S	S	*	.			trans	-61.5	141.2	-179.1	-23.3	33.8	0	0	0	111.8	K135 A139 F140	K135-P137 WeakPolarHBondContact O-CD 3.14Å; P137-A139 PolarHBondContact O-N 3.42Å; P137-A139 VanDerWaalsContact O-N 3.11Å; P137-F140 WeakPolarHBondContact O-CB 3.21Å; P137-F140 PolarHBondContact O-N 2.86Å
138	Y	89.3	Confident	92.4	Very high	111 Å²	111	90 Å²	90	44%	0.435	44%	0.437	S	S	.	.	H	α-helix	trans	-57.2	-31.4	178.5	-166.8	-118.7	0	0	0	112.9	T136 F140 W141 K142 W272 T273 V276	T136-Y138 PolarHBondContact O-N 3.4Å; Y138-F140 VanDerWaalsContact C-N 3.28Å; Y138-F140 PolarHBondContact O-N 3.01Å; Y138-W141 PolarHBondContact O-N 2.96Å; Y138-K142 WeakPolarHBondContact O-CB 3.4Å; Y138-K142 PolarHBondContact O-N 2.95Å; Y138-W272 AromaticContact CD1-CH2 3.83Å; Y138-W272 HydrophobicContact CD1-CH2 3.83Å; Y138-W272 HydrophobicContact CD1-CZ3 4.12Å; Y138-W272 AromaticContact CE1-CH2 3.06Å; Y138-W272 HydrophobicContact CE1-CH2 3.06Å; Y138-W272 HydrophobicContact CE1-CZ2 4.14Å; Y138-W272 AromaticContact CE1-CZ3 3.38Å; Y138-W272 HydrophobicContact CE1-CZ3 3.38Å; Y138-W272 HydrophobicContact CE2-CZ3 4.14Å; Y138-W272 AromaticContact CZ-CH2 3.52Å; Y138-W272 AromaticContact CZ-CZ3 3.35Å; Y138-W272 WeakPolarHBondContact OH-CZ3 3.19Å; Y138-T273 WeakPolarHBondContact OH-CB 3.41Å; Y138-T273 WeakPolarHBondContact OH-CG2 3.44Å; Y138-V276 HydrophobicContact CE2-CG2 3.6Å
139	A	94.3	Very high	92.5	Very high	72 Å²	72	94.5 Å²	94.5	60%	0.595	45%	0.454	S	S	*	.	H	α-helix	trans	-58.1	-35.9	173.9	0	0	0	0	0	113.3	P137 Y143	P137-A139 PolarHBondContact O-N 3.42Å; P137-A139 VanDerWaalsContact O-N 3.11Å; A139-Y143 WeakPolarHBondContact O-CB 3.46Å; A139-Y143 PolarHBondContact O-N 3.33Å
140	F	89.8	Confident	92.5	Very high	109 Å²	109	93.3 Å²	93.3	48%	0.478	44%	0.44	S	S	.	.	H	α-helix	trans	-66.1	-44.4	176.2	176.1	-92.1	0	0	0	111.3	T136 P137 Y138 Y143 T144	T136-F140 HydrophobicContact CG2-CB 3.93Å; T136-F140 HydrophobicContact CG2-CD1 3.45Å; T136-F140 VanDerWaalsContact CG2-CD1 3.45Å; T136-F140 HydrophobicContact CG2-CE1 4.25Å; T136-F140 HydrophobicContact CG2-CG 3.91Å; P137-F140 WeakPolarHBondContact O-CB 3.21Å; P137-F140 PolarHBondContact O-N 2.86Å; Y138-F140 VanDerWaalsContact C-N 3.28Å; Y138-F140 PolarHBondContact O-N 3.01Å; F140-Y143 PolarHBondContact O-N 3.45Å; F140-T144 WeakPolarHBondContact O-CB 3.27Å; F140-T144 PolarHBondContact O-N 2.67Å; F140-T144 PolarHBondContact O-OG1 2.92Å
141	W	89.4	Confident	92.6	Very high	26 Å²	26	90.9 Å²	90.9	10%	0.098	43%	0.433	C	S	.	.	H	α-helix	trans	-67.9	-40.1	177.1	-66.4	129.2	0	0	0	112.1	T136 Y138 Y143 T144 A145 V276 Y279 K282	T136-W141 HydrophobicContact CG2-CD2 4.34Å; T136-W141 HydrophobicContact CG2-CZ2 3.85Å; Y138-W141 PolarHBondContact O-N 2.96Å; W141-Y143 PolarHBondContact O-N 3.25Å; W141-T144 PolarHBondContact O-N 2.81Å; W141-A145 WeakPolarHBondContact O-CB 3.23Å; W141-A145 PolarHBondContact O-N 3.35Å; W141-V276 HydrophobicContact CB-CB 3.93Å; W141-V276 HydrophobicContact CB-CG1 3.72Å; W141-V276 WeakPolarHBondContact O-CG1 3.13Å; W141-Y279 HydrophobicContact CD2-CG 4.4Å; W141-Y279 AromaticContact CE3-CD1 3.85Å; W141-Y279 HydrophobicContact CE3-CD1 3.85Å; W141-Y279 HydrophobicContact CE3-CD2 4.48Å; W141-Y279 AromaticContact CE3-CG 3.71Å; W141-Y279 HydrophobicContact CE3-CG 3.71Å; W141-Y279 AromaticContact CH2-CD1 3.97Å; W141-Y279 HydrophobicContact CH2-CD1 3.97Å; W141-Y279 HydrophobicContact CH2-CG 4.33Å; W141-Y279 AromaticContact CZ3-CD1 3.35Å; W141-Y279 HydrophobicContact CZ3-CD1 3.35Å; W141-Y279 HydrophobicContact CZ3-CE1 4.2Å; W141-Y279 AromaticContact CZ3-CG 3.68Å; W141-Y279 HydrophobicContact CZ3-CG 3.68Å; W141-K282 HydrophobicContact CH2-CB 4.15Å; W141-K282 HydrophobicContact CH2-CD 3.81Å; W141-K282 HydrophobicContact CZ2-CB 4.2Å; W141-K282 HydrophobicContact CZ3-CD 4.44Å
142	K	92.9	Very high	92.7	Very high	92 Å²	92	80.7 Å²	80.7	40%	0.4	39%	0.389	S	S	.	.	H	α-helix	trans	-54.7	-51.1	171.4	-174.6	178.1	-175.3	179.2	0	111.3	Y138 T144 A145 L146 W272	Y138-K142 WeakPolarHBondContact O-CB 3.4Å; Y138-K142 PolarHBondContact O-N 2.95Å; K142-T144 VanDerWaalsContact C-N 3.35Å; K142-T144 PolarHBondContact O-N 2.81Å; K142-A145 PolarHBondContact O-N 2.82Å; K142-L146 HydrophobicContact CD-CD1 4.49Å; K142-L146 HydrophobicContact CG-CD1 3.8Å; K142-L146 HydrophobicContact CG-CG 4.43Å; K142-L146 WeakPolarHBondContact O-CB 3.32Å; K142-L146 VanDerWaalsContact O-CG 3.29Å; K142-L146 WeakPolarHBondContact O-CG 3.34Å; K142-L146 PolarHBondContact O-N 3.32Å; K142-W272 HydrophobicContact CB-CE3 3.94Å; K142-W272 HydrophobicContact CB-CH2 3.67Å; K142-W272 HydrophobicContact CB-CZ3 3.38Å; K142-W272 HydrophobicContact CD-CH2 3.5Å; K142-W272 HydrophobicContact CD-CZ2 3.68Å; K142-W272 HydrophobicContact CD-CZ3 4.11Å; K142-W272 HydrophobicContact CG-CD2 4.11Å; K142-W272 HydrophobicContact CG-CE3 3.85Å; K142-W272 HydrophobicContact CG-CH2 3.49Å; K142-W272 VanDerWaalsContact CG-CH2 3.49Å; K142-W272 HydrophobicContact CG-CZ2 3.85Å; K142-W272 HydrophobicContact CG-CZ3 3.54Å
143	Y	91.4	Very high	92.6	Very high	167 Å²	167	72.6 Å²	72.6	66%	0.655	35%	0.354	S	S	*	.	H	α-helix	trans	-60.5	-43.7	177.6	178.4	-95.8	0	0	0	112.1	A139 F140 W141 A145 L146 S147	A139-Y143 WeakPolarHBondContact O-CB 3.46Å; A139-Y143 PolarHBondContact O-N 3.33Å; F140-Y143 PolarHBondContact O-N 3.45Å; W141-Y143 PolarHBondContact O-N 3.25Å; Y143-A145 VanDerWaalsContact C-N 3.34Å; Y143-A145 PolarHBondContact O-N 3.24Å; Y143-L146 PolarHBondContact O-N 2.87Å; Y143-S147 VanDerWaalsContact O-CB 3.26Å; Y143-S147 WeakPolarHBondContact O-CB 3.23Å; Y143-S147 PolarHBondContact O-N 2.85Å; Y143-S147 PolarHBondContact O-OG 3.05Å
144	T	86	Confident	92.5	Very high	26 Å²	26	69.2 Å²	69.2	16%	0.16	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-43.2	176.7	-60.5	0	0	0	0	111.7	F140 W141 K142 S147 K148	F140-T144 WeakPolarHBondContact O-CB 3.27Å; F140-T144 PolarHBondContact O-N 2.67Å; F140-T144 PolarHBondContact O-OG1 2.92Å; W141-T144 PolarHBondContact O-N 2.81Å; K142-T144 VanDerWaalsContact C-N 3.35Å; K142-T144 PolarHBondContact O-N 2.81Å; T144-S147 PolarHBondContact O-OG 3.24Å; T144-S147 VanDerWaalsContact O-OG 3.12Å; T144-K148 WeakPolarHBondContact O-CD 3.23Å; T144-K148 WeakPolarHBondContact O-CG 3.42Å
145	A	90.2	Very high	92.4	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67	-42.5	179.5	0	0	0	0	0	112.8	W141 K142 Y143 K211 W272 Y275 V276	W141-A145 WeakPolarHBondContact O-CB 3.23Å; W141-A145 PolarHBondContact O-N 3.35Å; K142-A145 PolarHBondContact O-N 2.82Å; Y143-A145 VanDerWaalsContact C-N 3.34Å; Y143-A145 PolarHBondContact O-N 3.24Å; A145-K211 PolarHBondContact O-NZ 2.94Å; A145-W272 HydrophobicContact CB-CB 4.02Å; A145-Y275 HydrophobicContact CB-CD1 3.56Å; A145-Y275 HydrophobicContact CB-CE1 3.96Å; A145-V276 HydrophobicContact CB-CG1 3.7Å
146	L	93.1	Very high	92.3	Very high	85 Å²	85	58 Å²	58	45%	0.445	28%	0.281	S	S	.	.	H	α-helix	trans	-80.7	-23	-175.9	-64	177.9	0	0	0	113.7	K142 Y143 W272	K142-L146 HydrophobicContact CD-CD1 4.49Å; K142-L146 HydrophobicContact CG-CD1 3.8Å; K142-L146 HydrophobicContact CG-CG 4.43Å; K142-L146 WeakPolarHBondContact O-CB 3.32Å; K142-L146 VanDerWaalsContact O-CG 3.29Å; K142-L146 WeakPolarHBondContact O-CG 3.34Å; K142-L146 PolarHBondContact O-N 3.32Å; Y143-L146 PolarHBondContact O-N 2.87Å; L146-W272 HydrophobicContact CD2-CB 4.04Å; L146-W272 HydrophobicContact CD2-CG 4.21Å
147	S	92	Very high	92.1	Very high	48 Å²	48	60.1 Å²	60.1	34%	0.336	30%	0.297	S	S	.	.	H	α-helix	trans	-75.7	-25.1	177.8	57.3	0	0	0	0	113.3	Y143 T144 R149	Y143-S147 VanDerWaalsContact O-CB 3.26Å; Y143-S147 WeakPolarHBondContact O-CB 3.23Å; Y143-S147 PolarHBondContact O-N 2.85Å; Y143-S147 PolarHBondContact O-OG 3.05Å; T144-S147 PolarHBondContact O-OG 3.24Å; T144-S147 VanDerWaalsContact O-OG 3.12Å; S147-R149 PolarHBondContact O-N 3.39Å
148	K	92.4	Very high	91.9	Very high	11 Å²	11	59.9 Å²	59.9	5%	0.048	29%	0.287	C	S	.	.			trans	-76.5	111.9	175.7	-67.3	163.9	174	-68.3	0	110.7	T144 K207 K208 Y210 K211 Y275 Y279	T144-K148 WeakPolarHBondContact O-CD 3.23Å; T144-K148 WeakPolarHBondContact O-CG 3.42Å; K148-K207 PolarHBondContact NZ-O 3.34Å; K148-K208 WeakPolarHBondContact CG-O 3.23Å; K148-Y210 WeakPolarHBondContact CD-O 3.44Å; K148-Y210 PolarHBondContact NZ-O 3.02Å; K148-K211 HydrophobicContact CB-CG 3.79Å; K148-K211 HydrophobicContact CD-CG 4.2Å; K148-Y275 HydrophobicContact CD-CE1 4.37Å; K148-Y275 WeakPolarHBondContact CD-OH 3.3Å; K148-Y279 WeakPolarHBondContact CE-OH 3.45Å
149	R	92.6	Very high	92.2	Very high	212 Å²	212	57.3 Å²	57.3	80%	0.8	29%	0.285	S	S	*	.			trans	-91.3	-22.7	-175.5	-61.2	-59.3	-173.8	-178.8	0.8	114.2	S147 N209	S147-R149 PolarHBondContact O-N 3.39Å; R149-N209 PolarHBondContact N-O 3.09Å
150	K	95.1	Very high	92.3	Very high	66 Å²	66	58.5 Å²	58.5	29%	0.287	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	147.8	-176.8	-60.4	-172.8	170.5	-161.5	0	110.9	D179 N209 Y210 K211	K150-D179 WeakPolarHBondContact CD-OD2 3.32Å; K150-D179 WeakPolarHBondContact CE-OD2 3.3Å; K150-D179 IonicContact NZ-OD2 3.63Å; K150-D179 PolarHBondContact NZ-OD2 2.03Å; K150-N209 WeakPolarHBondContact CB-O 3.42Å; K150-N209 PolarHBondContact N-O 2.97Å; K150-Y210 HydrophobicContact CB-CD1 3.33Å; K150-Y210 HydrophobicContact CB-CE1 3.41Å; K150-Y210 VanDerWaalsContact CB-CE1 3.41Å; K150-Y210 HydrophobicContact CB-CG 4.04Å; K150-Y210 HydrophobicContact CD-CD1 4.08Å; K150-Y210 HydrophobicContact CD-CE1 3.32Å; K150-Y210 HydrophobicContact CD-CE2 4.06Å; K150-Y210 WeakPolarHBondContact CD-OH 3.44Å; K150-Y210 HydrophobicContact CG-CD1 4.37Å; K150-Y210 HydrophobicContact CG-CE1 4.03Å; K150-Y210 PolarHBondContact NZ-OH 3.1Å; K150-Y210 WeakPolarHBondContact O-CA 3.4Å; K150-K211 PolarHBondContact O-N 3.43Å; K150-K211 VanDerWaalsContact O-N 3.07Å
151	V	95.8	Very high	92.6	Very high	20 Å²	20	53.4 Å²	53.4	12%	0.121	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-73.6	-172	-171.5	0	0	0	0	110.7	M176 K211 F212	V151-M176 HydrophobicContact CB-CE 4.21Å; V151-M176 HydrophobicContact CG1-CE 3.41Å; V151-M176 VanDerWaalsContact CG1-CE 3.41Å; V151-K211 WeakPolarHBondContact O-CB 3.47Å; V151-K211 PolarHBondContact O-N 2.84Å; V151-K211 VanDerWaalsContact O-N 3.16Å; V151-F212 HydrophobicContact CG1-CD2 4.01Å; V151-F212 HydrophobicContact CG1-CE2 4.2Å; V151-F212 WeakPolarHBondContact O-CD2 3.43Å; V151-F212 PolarHBondContact O-N 2.97Å
152	A	96.9	Very high	92.9	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.017	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150	-175.5	0	0	0	0	0	112	M176 V178 D179 Y210 F212 L214	A152-M176 HydrophobicContact CB-CE 3.76Å; A152-V178 HydrophobicContact CB-CG2 4.43Å; A152-D179 PolarHBondContact O-N 3.47Å; A152-D179 VanDerWaalsContact O-N 3.14Å; A152-Y210 WeakPolarHBondContact O-CD1 3.43Å; A152-F212 WeakPolarHBondContact CA-O 3.28Å; A152-F212 HydrophobicContact CB-CB 4.16Å; A152-L214 HydrophobicContact CB-CD2 4.33Å; A152-L214 HydrophobicContact CB-CG 4.44Å
153	V	95.2	Very high	93.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.2	173	62.4	0	0	0	0	110.8	D179 Y181 L206 Y210 F212 Y213 L214	V153-D179 CarbonylContact C-O 3.25Å; V153-D179 VanDerWaalsContact CA-O 3.31Å; V153-D179 WeakPolarHBondContact CA-O 3.28Å; V153-D179 WeakPolarHBondContact CG2-O 3.32Å; V153-Y181 HydrophobicContact CG2-CD2 3.6Å; V153-Y181 HydrophobicContact CG2-CE2 3.82Å; V153-L206 HydrophobicContact CB-CD2 4.38Å; V153-L206 HydrophobicContact CG1-CD2 4.12Å; V153-L206 HydrophobicContact CG2-CD2 3.7Å; V153-Y210 HydrophobicContact CB-CD1 3.55Å; V153-Y210 HydrophobicContact CB-CD2 3.92Å; V153-Y210 HydrophobicContact CB-CE1 3.68Å; V153-Y210 HydrophobicContact CB-CE2 4.03Å; V153-Y210 HydrophobicContact CB-CG 3.67Å; V153-Y210 HydrophobicContact CG1-CD1 4.03Å; V153-Y210 HydrophobicContact CG1-CD2 3.86Å; V153-Y210 HydrophobicContact CG1-CE2 4.39Å; V153-Y210 HydrophobicContact CG1-CG 3.64Å; V153-Y210 HydrophobicContact CG2-CD2 4.43Å; V153-Y210 HydrophobicContact CG2-CE1 4.24Å; V153-Y210 HydrophobicContact CG2-CE2 4.13Å; V153-F212 PolarHBondContact N-O 2.8Å; V153-Y213 HydrophobicContact CG1-CD2 3.86Å; V153-L214 PolarHBondContact O-N 3.08Å
154	W	95	Very high	93.3	Very high	4 Å²	4	43 Å²	43	2%	0.015	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.9	171.5	179.6	50.9	0	0	0	111.1	R165 E166 V169 V178 D179 I180 Y181 C184 L214	W154-R165 HydrophobicContact CZ2-CG 3.96Å; W154-R165 VanDerWaalsContact CZ2-CZ 3.47Å; W154-E166 HydrophobicContact CH2-CB 3.8Å; W154-V169 HydrophobicContact CD2-CB 4.36Å; W154-V169 HydrophobicContact CD2-CG1 4.1Å; W154-V169 HydrophobicContact CD2-CG2 3.87Å; W154-V169 HydrophobicContact CE3-CB 4.05Å; W154-V169 HydrophobicContact CE3-CG1 3.61Å; W154-V169 HydrophobicContact CE3-CG2 4.09Å; W154-V169 HydrophobicContact CG-CG1 4.49Å; W154-V169 HydrophobicContact CG-CG2 4.15Å; W154-V169 HydrophobicContact CZ3-CB 4.3Å; W154-V169 HydrophobicContact CZ3-CG1 4.18Å; W154-V178 HydrophobicContact CB-CG1 4.3Å; W154-D179 PolarHBondContact N-O 2.98Å; W154-I180 HydrophobicContact CD2-CG2 4.42Å; W154-I180 HydrophobicContact CE3-CB 4.3Å; W154-I180 HydrophobicContact CE3-CD1 3.82Å; W154-I180 HydrophobicContact CE3-CG1 3.93Å; W154-I180 HydrophobicContact CE3-CG2 3.46Å; W154-I180 VanDerWaalsContact CE3-CG2 3.46Å; W154-I180 HydrophobicContact CZ3-CD1 4.16Å; W154-I180 HydrophobicContact CZ3-CG2 3.85Å; W154-I180 WeakPolarHBondContact O-CA 3.25Å; W154-Y181 PolarHBondContact O-N 2.81Å; W154-C184 HydrophobicContact CH2-CB 3.83Å; W154-C184 HydrophobicContact CZ3-CB 3.77Å; W154-L214 HydrophobicContact CB-CB 4.07Å; W154-L214 HydrophobicContact CB-CD1 4.18Å; W154-L214 HydrophobicContact CB-CG 4.44Å; W154-L214 HydrophobicContact CG-CB 4.37Å
155	M	90.5	Very high	93.8	Very high	42 Å²	42	42.4 Å²	42.4	21%	0.207	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110	170	-66.1	-159.8	-66	0	0	110.3	R165 E203 L206 Y213	M155-R165 PolarHBondContact O-NH1 3.31Å; M155-E203 VanDerWaalsContact CE-OE1 3.3Å; M155-E203 WeakPolarHBondContact CE-OE1 3.37Å; M155-L206 HydrophobicContact CE-CD1 4.07Å; M155-L206 HydrophobicContact CG-CD1 4.15Å; M155-L206 HydrophobicContact SD-CD1 3.65Å; M155-Y213 HydrophobicContact CB-CE2 4.44Å; M155-Y213 HydrophobicContact CE-CE2 3.83Å; M155-Y213 WeakPolarHBondContact CE-OH 3.45Å; M155-Y213 HydrophobicContact CG-CE2 4.01Å
156	G	90.7	Very high	94.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	100.2	-176.7	0	0	0	0	0	111.7	Y181 G182 K183 C184	G156-Y181 PolarHBondContact N-O 3.29Å; G156-G182 CarbonylContact O-C 3.58Å; G156-K183 PolarHBondContact O-N 2.97Å; G156-C184 PolarHBondContact O-N 3.04Å; G156-C184 PolarHBondContact O-SG 3.45Å
157	S	87.9	Confident	94.3	Very high	79 Å²	79	41.6 Å²	41.6	55%	0.552	21%	0.213	S	C	*	.	S	Bend	trans	-96	-20.3	171.7	60.1	0	0	0	0	113.5	K183	S157-K183 WeakPolarHBondContact O-CD 3.42Å
158	F	89.9	Confident	94.6	Very high	83 Å²	83	39.3 Å²	39.3	36%	0.364	20%	0.197	S	C	.	.			trans	-122.3	115.9	178.4	-175.1	-145.4	0	0	0	109.6	H94 N160 T161 R165	H94-F158 AromaticContact CE1-CE1 3.85Å; F158-N160 WeakPolarHBondContact CE1-O 3.35Å; F158-N160 WeakPolarHBondContact CE2-O 3.42Å; F158-N160 WeakPolarHBondContact CZ-O 3.36Å; F158-T161 HydrophobicContact CB-CG2 4.34Å; F158-T161 HydrophobicContact CD1-CG2 3.6Å; F158-T161 HydrophobicContact CE1-CG2 4.14Å; F158-T161 HydrophobicContact CG-CG2 4.1Å; F158-T161 WeakPolarHBondContact O-CG2 3.46Å; F158-R165 PolarHBondContact O-NH2 2.74Å
159	C	94.9	Very high	94.8	Very high	57 Å²	57	38.8 Å²	38.8	39%	0.385	19%	0.194	S	C	.	.	S	Bend	trans	-107.7	16.5	-165	-41.3	0	0	0	0	113.6	E166 C184	C159-E166 WeakPolarHBondContact O-CG 3.37Å; C159-C184 WeakPolarHBondContact CA-SG 3.35Å; C159-C184 HydrophobicContact CB-CB 3.92Å; C159-C184 WeakPolarHBondContact CB-SG 3.41Å; C159-C184 PolarHBondContact N-SG 3Å; C159-C184 VanDerWaalsContact N-SG 3.4Å; C159-C184 WeakPolarHBondContact SG-CA 3.4Å; C159-C184 WeakPolarHBondContact SG-CB 3.06Å; C159-C184 PolarHBondContact SG-N 3.11Å; C159-C184 CovalentContact SG-SG 2.04Å; C159-C184 PolarHBondContact SG-SG 3.24Å
160	N	95.9	Very high	95	Very high	98 Å²	98	33.3 Å²	33.3	52%	0.524	18%	0.178	S	C	.	.	S	Bend	trans	-149.6	78.6	172.5	179.2	20.2	0	0	0	107.4	F158 K164 E166	F158-N160 WeakPolarHBondContact CE1-O 3.35Å; F158-N160 WeakPolarHBondContact CE2-O 3.42Å; F158-N160 WeakPolarHBondContact CZ-O 3.36Å; N160-K164 PolarHBondContact OD1-NZ 3.46Å; N160-E166 WeakPolarHBondContact CA-OE1 3.49Å
161	T	96.2	Very high	95.1	Very high	2 Å²	2	33 Å²	33	1%	0.012	18%	0.177	C	C	.	.			trans	-96.1	158.9	-172.8	76.1	0	0	0	0	111.6	F158 S163 K164 R165 E166 N218	F158-T161 HydrophobicContact CB-CG2 4.34Å; F158-T161 HydrophobicContact CD1-CG2 3.6Å; F158-T161 HydrophobicContact CE1-CG2 4.14Å; F158-T161 HydrophobicContact CG-CG2 4.1Å; F158-T161 WeakPolarHBondContact O-CG2 3.46Å; T161-S163 PolarHBondContact O-N 3.43Å; T161-S163 PolarHBondContact OG1-N 3.28Å; T161-S163 PolarHBondContact OG1-OG 2.99Å; T161-K164 VanDerWaalsContact O-CD 3.32Å; T161-K164 WeakPolarHBondContact O-CD 3.49Å; T161-K164 WeakPolarHBondContact O-CE 3.22Å; T161-K164 PolarHBondContact O-N 3Å; T161-K164 PolarHBondContact OG1-N 3.47Å; T161-R165 HydrophobicContact CG2-CG 4.02Å; T161-E166 PolarHBondContact N-OE1 2.6Å; T161-E166 PolarHBondContact N-OE2 2.78Å; T161-E166 PolarHBondContact OG1-OE2 3.12Å; T161-N218 WeakPolarHBondContact CB-O 3.46Å; T161-N218 HydrophobicContact CG2-CB 4.28Å; T161-N218 PolarHBondContact OG1-O 3.41Å
162	P	96.3	Very high	95.2	Very high	30 Å²	30	32.1 Å²	32.1	20%	0.195	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-33.9	166.8	-25.5	35.1	0	0	0	113	H93 K164 N336	H93-P162 HydrophobicContact CB-CG 3.98Å; H93-P162 WeakPolarHBondContact ND1-CB 3.5Å; H93-P162 WeakPolarHBondContact ND1-CG 3.48Å; P162-K164 VanDerWaalsContact C-N 3.28Å; P162-K164 PolarHBondContact O-N 2.85Å; P162-N336 PolarHBondContact O-N 2.82Å
163	S	96.4	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-21	177	65.5	0	0	0	0	114	T161 R165 E217 N218 F337 G338	T161-S163 PolarHBondContact O-N 3.43Å; T161-S163 PolarHBondContact OG1-N 3.28Å; T161-S163 PolarHBondContact OG1-OG 2.99Å; S163-R165 PolarHBondContact O-N 2.88Å; S163-R165 PolarHBondContact OG-N 3.49Å; S163-E217 WeakPolarHBondContact CB-O 3.4Å; S163-E217 PolarHBondContact OG-O 3.4Å; S163-N218 VanDerWaalsContact CB-O 3.24Å; S163-N218 WeakPolarHBondContact CB-O 3.36Å; S163-N218 PolarHBondContact N-O 2.76Å; S163-N218 VanDerWaalsContact N-O 3.13Å; S163-N218 PolarHBondContact OG-O 3.34Å; S163-F337 PolarHBondContact O-N 3.04Å; S163-G338 PolarHBondContact O-N 2.76Å
164	K	97.2	Very high	95.3	Very high	37 Å²	37	41.9 Å²	41.9	16%	0.161	22%	0.215	C	C	.	.			trans	56.3	33.6	-171.5	-55.4	-66.3	174.4	-171.3	0	112.9	N160 T161 P162 E166 V167 Y168 N336 Y339	N160-K164 PolarHBondContact OD1-NZ 3.46Å; T161-K164 VanDerWaalsContact O-CD 3.32Å; T161-K164 WeakPolarHBondContact O-CD 3.49Å; T161-K164 WeakPolarHBondContact O-CE 3.22Å; T161-K164 PolarHBondContact O-N 3Å; T161-K164 PolarHBondContact OG1-N 3.47Å; P162-K164 VanDerWaalsContact C-N 3.28Å; P162-K164 PolarHBondContact O-N 2.85Å; K164-E166 PolarHBondContact O-N 3.4Å; K164-V167 HydrophobicContact CB-CG2 4.29Å; K164-V167 PolarHBondContact O-N 2.88Å; K164-Y168 PolarHBondContact O-N 2.97Å; K164-N336 WeakPolarHBondContact CE-OD1 3.48Å; K164-N336 HydrophobicContact CG-CB 4.37Å; K164-N336 WeakPolarHBondContact CG-OD1 3.23Å; K164-Y339 HydrophobicContact CB-CD2 3.97Å; K164-Y339 HydrophobicContact CB-CE2 3.99Å; K164-Y339 HydrophobicContact CD-CD2 4.46Å; K164-Y339 HydrophobicContact CD-CE2 3.81Å; K164-Y339 HydrophobicContact CG-CD2 3.74Å; K164-Y339 HydrophobicContact CG-CE2 3.59Å
165	R	96.1	Very high	95.5	Very high	13 Å²	13	45.4 Å²	45.4	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-35.3	178.4	62.1	176.8	-172.5	137.2	7.2	112	W154 M155 F158 T161 S163 V167 Y168 V169 F216 N218 F235	W154-R165 HydrophobicContact CZ2-CG 3.96Å; W154-R165 VanDerWaalsContact CZ2-CZ 3.47Å; M155-R165 PolarHBondContact O-NH1 3.31Å; F158-R165 PolarHBondContact O-NH2 2.74Å; T161-R165 HydrophobicContact CG2-CG 4.02Å; S163-R165 PolarHBondContact O-N 2.88Å; S163-R165 PolarHBondContact OG-N 3.49Å; R165-V167 VanDerWaalsContact C-N 3.28Å; R165-V167 PolarHBondContact O-N 2.94Å; R165-Y168 PolarHBondContact O-N 2.83Å; R165-V169 VanDerWaalsContact O-CG2 3.3Å; R165-V169 WeakPolarHBondContact O-CG2 3.3Å; R165-V169 PolarHBondContact O-N 3.47Å; R165-F216 HydrophobicContact CB-CB 3.75Å; R165-F216 WeakPolarHBondContact CD-O 3.38Å; R165-F216 PolarHBondContact NH1-O 3.32Å; R165-N218 PolarHBondContact NE-OD1 2.64Å; R165-N218 PolarHBondContact NH2-OD1 3.4Å; R165-F235 HydrophobicContact CB-CE1 4.11Å
166	E	97.1	Very high	95.8	Very high	26 Å²	26	44 Å²	44	12%	0.121	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-37.5	-179.9	65	-77.4	179.2	0	0	111.7	W154 C159 N160 T161 K164 V169 E170	W154-E166 HydrophobicContact CH2-CB 3.8Å; C159-E166 WeakPolarHBondContact O-CG 3.37Å; N160-E166 WeakPolarHBondContact CA-OE1 3.49Å; T161-E166 PolarHBondContact N-OE1 2.6Å; T161-E166 PolarHBondContact N-OE2 2.78Å; T161-E166 PolarHBondContact OG1-OE2 3.12Å; K164-E166 PolarHBondContact O-N 3.4Å; E166-V169 PolarHBondContact O-N 3.06Å; E166-E170 WeakPolarHBondContact O-CB 3.46Å; E166-E170 PolarHBondContact O-N 2.99Å
167	V	96.6	Very high	96.1	Very high	42 Å²	42	49.6 Å²	49.6	26%	0.255	25%	0.248	S	C	.	.	H	α-helix	trans	-72	-42.3	179.7	-168.5	0	0	0	0	110.1	K164 R165 V169 E170 K171 Y339 M342	K164-V167 HydrophobicContact CB-CG2 4.29Å; K164-V167 PolarHBondContact O-N 2.88Å; R165-V167 VanDerWaalsContact C-N 3.28Å; R165-V167 PolarHBondContact O-N 2.94Å; V167-V169 PolarHBondContact O-N 2.01Å; V167-E170 PolarHBondContact O-N 3.35Å; V167-K171 PolarHBondContact O-N 3.3Å; V167-Y339 HydrophobicContact CB-CE1 4.31Å; V167-Y339 HydrophobicContact CG1-CD1 4.37Å; V167-Y339 HydrophobicContact CG1-CE1 3.68Å; V167-Y339 HydrophobicContact CG2-CE1 4.34Å; V167-M342 HydrophobicContact CB-CE 4.27Å; V167-M342 HydrophobicContact CG1-CE 3.62Å; V167-M342 HydrophobicContact CG1-SD 4.4Å
168	Y	97.7	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-42.4	175.4	-171.3	-86.8	0	0	0	111.7	K164 R165 K171 L172 F216 F235 A252 P258 L261 L341 M342	K164-Y168 PolarHBondContact O-N 2.97Å; R165-Y168 PolarHBondContact O-N 2.83Å; Y168-K171 PolarHBondContact O-N 2.96Å; Y168-L172 WeakPolarHBondContact O-CB 3.41Å; Y168-L172 PolarHBondContact O-N 3.45Å; Y168-F216 HydrophobicContact CD1-CD2 4.48Å; Y168-F216 AromaticContact CD1-CE2 3.72Å; Y168-F216 HydrophobicContact CD1-CE2 3.72Å; Y168-F216 HydrophobicContact CD1-CZ 4.11Å; Y168-F216 HydrophobicContact CE1-CE2 4.07Å; Y168-F216 HydrophobicContact CE1-CZ 4Å; Y168-F235 AromaticContact CD1-CE2 3.87Å; Y168-F235 HydrophobicContact CD1-CE2 3.87Å; Y168-F235 AromaticContact CD2-CE2 3.94Å; Y168-F235 HydrophobicContact CD2-CE2 3.94Å; Y168-F235 HydrophobicContact CD2-CZ 4.38Å; Y168-F235 HydrophobicContact CE1-CE2 4.34Å; Y168-F235 HydrophobicContact CE2-CE2 4.41Å; Y168-F235 AromaticContact CG-CE2 3.65Å; Y168-F235 HydrophobicContact CG-CE2 3.65Å; Y168-F235 AromaticContact CG-CZ 3.99Å; Y168-F235 HydrophobicContact CG-CZ 3.99Å; Y168-A252 HydrophobicContact CE1-CB 4.32Å; Y168-P258 HydrophobicContact CE1-CB 4.41Å; Y168-P258 HydrophobicContact CE2-CB 4.22Å; Y168-P258 HydrophobicContact CE2-CG 4.33Å; Y168-L261 HydrophobicContact CE1-CD2 3.93Å; Y168-L261 WeakPolarHBondContact OH-CD2 3.44Å; Y168-L341 HydrophobicContact CD2-CB 3.88Å; Y168-L341 HydrophobicContact CD2-CD1 4.46Å; Y168-L341 HydrophobicContact CE2-CB 3.5Å; Y168-L341 HydrophobicContact CE2-CD1 4.02Å; Y168-L341 HydrophobicContact CE2-CG 4.45Å; Y168-M342 HydrophobicContact CD2-CG 3.91Å; Y168-M342 HydrophobicContact CE2-CG 4.42Å
169	V	97.7	Very high	96.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-41	176.1	174.7	0	0	0	0	111.4	W154 R165 E166 V167 K171 L172 K173 V178 I180 L214 F216	W154-V169 HydrophobicContact CD2-CB 4.36Å; W154-V169 HydrophobicContact CD2-CG1 4.1Å; W154-V169 HydrophobicContact CD2-CG2 3.87Å; W154-V169 HydrophobicContact CE3-CB 4.05Å; W154-V169 HydrophobicContact CE3-CG1 3.61Å; W154-V169 HydrophobicContact CE3-CG2 4.09Å; W154-V169 HydrophobicContact CG-CG1 4.49Å; W154-V169 HydrophobicContact CG-CG2 4.15Å; W154-V169 HydrophobicContact CZ3-CB 4.3Å; W154-V169 HydrophobicContact CZ3-CG1 4.18Å; R165-V169 VanDerWaalsContact O-CG2 3.3Å; R165-V169 WeakPolarHBondContact O-CG2 3.3Å; R165-V169 PolarHBondContact O-N 3.47Å; E166-V169 PolarHBondContact O-N 3.06Å; V167-V169 PolarHBondContact O-N 2.01Å; V169-K171 VanDerWaalsContact C-N 3.29Å; V169-K171 PolarHBondContact O-N 3.19Å; V169-L172 WeakPolarHBondContact O-CB 3.01Å; V169-L172 PolarHBondContact O-N 3.22Å; V169-K173 PolarHBondContact O-N 3.3Å; V169-V178 HydrophobicContact CG1-CG1 4.2Å; V169-I180 HydrophobicContact CG1-CD1 3.81Å; V169-I180 HydrophobicContact CG1-CG1 4.37Å; V169-L214 HydrophobicContact CG2-CD1 4.24Å; V169-F216 HydrophobicContact CG2-CD2 3.53Å; V169-F216 HydrophobicContact CG2-CE2 3.73Å
170	E	96.9	Very high	97	Very high	96 Å²	96	41.4 Å²	41.4	45%	0.449	20%	0.198	S	C	.	.	H	α-helix	trans	-63.2	-37.9	176.5	-168.3	57.1	-143.8	0	0	111.8	E166 V167 K173	E166-E170 WeakPolarHBondContact O-CB 3.46Å; E166-E170 PolarHBondContact O-N 2.99Å; V167-E170 PolarHBondContact O-N 3.35Å; E170-K173 VanDerWaalsContact CD-NZ 3.25Å; E170-K173 IonicContact OE1-NZ 2.61Å; E170-K173 PolarHBondContact OE1-NZ 3.34Å; E170-K173 IonicContact OE2-NZ 2.8Å; E170-K173 PolarHBondContact OE2-NZ 2.87Å
171	K	97.2	Very high	96.9	Very high	61 Å²	61	37.9 Å²	37.9	27%	0.265	18%	0.177	S	C	.	.	H	α-helix	trans	-67.5	-41.8	173.1	-171.5	61.7	177.5	171	0	112	V167 Y168 V169 K173 Q174 Y175 P258 M342	V167-K171 PolarHBondContact O-N 3.3Å; Y168-K171 PolarHBondContact O-N 2.96Å; V169-K171 VanDerWaalsContact C-N 3.29Å; V169-K171 PolarHBondContact O-N 3.19Å; K171-K173 VanDerWaalsContact C-N 3.28Å; K171-K173 PolarHBondContact O-N 3.09Å; K171-Q174 WeakPolarHBondContact O-CB 3.32Å; K171-Q174 PolarHBondContact O-N 3.31Å; K171-Q174 VanDerWaalsContact O-N 3.1Å; K171-Y175 HydrophobicContact CD-CE2 4.34Å; K171-Y175 VanDerWaalsContact CE-OH 3.27Å; K171-Y175 WeakPolarHBondContact CE-OH 3.26Å; K171-Y175 HydrophobicContact CG-CE2 4.24Å; K171-Y175 PolarHBondContact NZ-OH 2.95Å; K171-Y175 WeakPolarHBondContact O-CD2 3.41Å; K171-P258 HydrophobicContact CB-CG 4.19Å; K171-P258 HydrophobicContact CG-CB 4.19Å; K171-P258 HydrophobicContact CG-CG 3.49Å; K171-P258 VanDerWaalsContact CG-CG 3.49Å; K171-M342 HydrophobicContact CB-SD 3.53Å; K171-M342 VanDerWaalsContact CB-SD 3.53Å; K171-M342 HydrophobicContact CG-CG 4.37Å; K171-M342 HydrophobicContact CG-SD 3.79Å
172	L	97.9	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.9	-36.7	177.6	-173.9	65.8	0	0	0	112.4	Y168 V169 Q174 Y175 M176 V178 L214 P258 L261 A262	Y168-L172 WeakPolarHBondContact O-CB 3.41Å; Y168-L172 PolarHBondContact O-N 3.45Å; V169-L172 WeakPolarHBondContact O-CB 3.01Å; V169-L172 PolarHBondContact O-N 3.22Å; L172-Q174 PolarHBondContact O-N 2.66Å; L172-Q174 VanDerWaalsContact O-N 3.15Å; L172-Y175 PolarHBondContact O-N 3.26Å; L172-M176 HydrophobicContact CD1-CG 4.2Å; L172-M176 HydrophobicContact CD1-SD 3.95Å; L172-M176 HydrophobicContact CD2-SD 4.28Å; L172-M176 HydrophobicContact CG-CG 4.06Å; L172-M176 HydrophobicContact CG-SD 4.05Å; L172-M176 PolarHBondContact O-N 3.41Å; L172-V178 HydrophobicContact CD2-CG2 4.16Å; L172-V178 HydrophobicContact CG-CG2 4.22Å; L172-L214 HydrophobicContact CD2-CD1 3.75Å; L172-L214 HydrophobicContact CD2-CD2 4.43Å; L172-P258 HydrophobicContact CB-CB 4.3Å; L172-P258 HydrophobicContact CD1-CB 4.13Å; L172-P258 WeakPolarHBondContact CD1-O 3.31Å; L172-L261 HydrophobicContact CD1-CD2 4.29Å; L172-L261 HydrophobicContact CD1-CG 4.44Å; L172-L261 HydrophobicContact CD2-CD2 4.46Å; L172-A262 HydrophobicContact CD1-CB 3.85Å
173	K	97	Very high	96.5	Very high	83 Å²	83	45.9 Å²	45.9	36%	0.361	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.9	175.1	-81.6	172.1	58.8	-149.7	0	114.1	V169 E170 K171 Y175 M176 V178 I180	V169-K173 PolarHBondContact O-N 3.3Å; E170-K173 VanDerWaalsContact CD-NZ 3.25Å; E170-K173 IonicContact OE1-NZ 2.61Å; E170-K173 PolarHBondContact OE1-NZ 3.34Å; E170-K173 IonicContact OE2-NZ 2.8Å; E170-K173 PolarHBondContact OE2-NZ 2.87Å; K171-K173 VanDerWaalsContact C-N 3.28Å; K171-K173 PolarHBondContact O-N 3.09Å; K173-Y175 PolarHBondContact O-N 3.21Å; K173-M176 WeakPolarHBondContact CA-O 2.82Å; K173-V178 HydrophobicContact CG-CB 3.9Å; K173-V178 HydrophobicContact CG-CG2 4.27Å; K173-I180 HydrophobicContact CD-CD1 3.6Å; K173-I180 HydrophobicContact CD-CG1 4.48Å
174	Q	97.2	Very high	96.4	Very high	126 Å²	126	47.4 Å²	47.4	59%	0.589	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.7	176.5	-58.8	-175.8	-11.3	0	0	112.3	K171 L172	K171-Q174 WeakPolarHBondContact O-CB 3.32Å; K171-Q174 PolarHBondContact O-N 3.31Å; K171-Q174 VanDerWaalsContact O-N 3.1Å; L172-Q174 PolarHBondContact O-N 2.66Å; L172-Q174 VanDerWaalsContact O-N 3.15Å
175	Y	97.8	Very high	96.3	Very high	77 Å²	77	46.2 Å²	46.2	30%	0.302	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-17.8	-173.7	-53.9	-64.7	0	0	0	113.7	K171 L172 K173 P258 K259 A262	K171-Y175 HydrophobicContact CD-CE2 4.34Å; K171-Y175 VanDerWaalsContact CE-OH 3.27Å; K171-Y175 WeakPolarHBondContact CE-OH 3.26Å; K171-Y175 HydrophobicContact CG-CE2 4.24Å; K171-Y175 PolarHBondContact NZ-OH 2.95Å; K171-Y175 WeakPolarHBondContact O-CD2 3.41Å; L172-Y175 PolarHBondContact O-N 3.26Å; K173-Y175 PolarHBondContact O-N 3.21Å; Y175-P258 HydrophobicContact CD2-CB 4.31Å; Y175-P258 HydrophobicContact CE2-CB 4.35Å; Y175-P258 HydrophobicContact CE2-CG 4.27Å; Y175-K259 HydrophobicContact CD1-CB 4.06Å; Y175-K259 HydrophobicContact CD1-CD 4.32Å; Y175-K259 HydrophobicContact CD1-CG 3.74Å; Y175-K259 HydrophobicContact CD2-CB 3.97Å; Y175-K259 HydrophobicContact CD2-CG 4.48Å; Y175-K259 HydrophobicContact CE1-CB 3.99Å; Y175-K259 HydrophobicContact CE1-CD 4.13Å; Y175-K259 HydrophobicContact CE1-CG 3.9Å; Y175-K259 HydrophobicContact CE2-CB 3.9Å; Y175-K259 HydrophobicContact CG-CB 4.04Å; Y175-K259 HydrophobicContact CG-CG 4.05Å; Y175-A262 VanDerWaalsContact CB-CB 3.49Å
176	M	97.8	Very high	96.2	Very high	13 Å²	13	53.1 Å²	53.1	6%	0.064	26%	0.262	C	S	.	.	S	Bend	trans	-155.5	159.8	177.4	63.3	177.2	-61.2	0	0	112.4	V151 A152 L172 K173 V178 A262 L265	V151-M176 HydrophobicContact CB-CE 4.21Å; V151-M176 HydrophobicContact CG1-CE 3.41Å; V151-M176 VanDerWaalsContact CG1-CE 3.41Å; A152-M176 HydrophobicContact CB-CE 3.76Å; L172-M176 HydrophobicContact CD1-CG 4.2Å; L172-M176 HydrophobicContact CD1-SD 3.95Å; L172-M176 HydrophobicContact CD2-SD 4.28Å; L172-M176 HydrophobicContact CG-CG 4.06Å; L172-M176 HydrophobicContact CG-SD 4.05Å; L172-M176 PolarHBondContact O-N 3.41Å; K173-M176 WeakPolarHBondContact CA-O 2.82Å; M176-V178 HydrophobicContact CG-CG2 4.01Å; M176-V178 PolarHBondContact O-N 3.39Å; M176-A262 HydrophobicContact CB-CB 4.01Å; M176-A262 HydrophobicContact CG-CB 3.8Å; M176-A262 HydrophobicContact SD-CB 3.82Å; M176-L265 HydrophobicContact CE-CB 3.9Å; M176-L265 HydrophobicContact CE-CD1 4.01Å; M176-L265 HydrophobicContact SD-CB 4.11Å; M176-L265 HydrophobicContact SD-CD1 3.81Å
177	Q	96.5	Very high	96.1	Very high	119 Å²	119	54.8 Å²	54.8	56%	0.556	27%	0.272	S	S	*	.			trans	-67.7	122.9	171.6	-174.8	-178.1	1.8	0	0	110.8	D179	Q177-D179 PolarHBondContact NE2-OD1 3.3Å; Q177-D179 VanDerWaalsContact NE2-OD1 3.08Å
178	V	97.8	Very high	95.8	Very high	13 Å²	13	59.4 Å²	59.4	8%	0.079	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	116.5	170.6	-175.3	0	0	0	0	108.4	A152 W154 V169 L172 K173 M176 I180 L214	A152-V178 HydrophobicContact CB-CG2 4.43Å; W154-V178 HydrophobicContact CB-CG1 4.3Å; V169-V178 HydrophobicContact CG1-CG1 4.2Å; L172-V178 HydrophobicContact CD2-CG2 4.16Å; L172-V178 HydrophobicContact CG-CG2 4.22Å; K173-V178 HydrophobicContact CG-CB 3.9Å; K173-V178 HydrophobicContact CG-CG2 4.27Å; M176-V178 HydrophobicContact CG-CG2 4.01Å; M176-V178 PolarHBondContact O-N 3.39Å; V178-I180 HydrophobicContact CG1-CG1 4.3Å; V178-L214 HydrophobicContact CG1-CD1 3.69Å; V178-L214 HydrophobicContact CG2-CD1 4.38Å
179	D	97	Very high	95.3	Very high	21 Å²	21	61.3 Å²	61.3	11%	0.112	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.3	173.6	-76.1	8.4	0	0	0	108.8	K150 A152 V153 W154 Q177 Y181 L187 Y210	K150-D179 WeakPolarHBondContact CD-OD2 3.32Å; K150-D179 WeakPolarHBondContact CE-OD2 3.3Å; K150-D179 IonicContact NZ-OD2 3.63Å; K150-D179 PolarHBondContact NZ-OD2 2.03Å; A152-D179 PolarHBondContact O-N 3.47Å; A152-D179 VanDerWaalsContact O-N 3.14Å; V153-D179 CarbonylContact C-O 3.25Å; V153-D179 VanDerWaalsContact CA-O 3.31Å; V153-D179 WeakPolarHBondContact CA-O 3.28Å; V153-D179 WeakPolarHBondContact CG2-O 3.32Å; W154-D179 PolarHBondContact N-O 2.98Å; Q177-D179 PolarHBondContact NE2-OD1 3.3Å; Q177-D179 VanDerWaalsContact NE2-OD1 3.08Å; D179-Y181 HydrophobicContact CB-CE2 4.41Å; D179-L187 HydrophobicContact CB-CD1 3.61Å; D179-Y210 HydrophobicContact CB-CE1 3.68Å; D179-Y210 WeakPolarHBondContact CB-OH 3.3Å; D179-Y210 PolarHBondContact OD2-OH 3.13Å
180	I	96.4	Very high	94.5	Very high	13 Å²	13	66 Å²	66	7%	0.067	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.6	-176.5	-55.5	178.6	0	0	0	110.5	W154 V169 K173 V178 L187	W154-I180 HydrophobicContact CD2-CG2 4.42Å; W154-I180 HydrophobicContact CE3-CB 4.3Å; W154-I180 HydrophobicContact CE3-CD1 3.82Å; W154-I180 HydrophobicContact CE3-CG1 3.93Å; W154-I180 HydrophobicContact CE3-CG2 3.46Å; W154-I180 VanDerWaalsContact CE3-CG2 3.46Å; W154-I180 HydrophobicContact CZ3-CD1 4.16Å; W154-I180 HydrophobicContact CZ3-CG2 3.85Å; W154-I180 WeakPolarHBondContact O-CA 3.25Å; V169-I180 HydrophobicContact CG1-CD1 3.81Å; V169-I180 HydrophobicContact CG1-CG1 4.37Å; K173-I180 HydrophobicContact CD-CD1 3.6Å; K173-I180 HydrophobicContact CD-CG1 4.48Å; V178-I180 HydrophobicContact CG1-CG1 4.3Å; I180-L187 VanDerWaalsContact O-CB 3.31Å; I180-L187 WeakPolarHBondContact O-CB 3.42Å; I180-L187 PolarHBondContact O-N 3.42Å
181	Y	93.4	Very high	93.4	Very high	23 Å²	23	70 Å²	70	9%	0.09	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	145.6	174.1	-71.8	-103.8	0	0	0	111.3	V153 W154 G156 D179 L187 K188 C189 M205 L206 Y210	V153-Y181 HydrophobicContact CG2-CD2 3.6Å; V153-Y181 HydrophobicContact CG2-CE2 3.82Å; W154-Y181 PolarHBondContact O-N 2.81Å; G156-Y181 PolarHBondContact N-O 3.29Å; D179-Y181 HydrophobicContact CB-CE2 4.41Å; Y181-L187 VanDerWaalsContact CA-O 3.31Å; Y181-L187 WeakPolarHBondContact CA-O 3.12Å; Y181-L187 HydrophobicContact CD1-CB 3.58Å; Y181-L187 HydrophobicContact CD2-CB 3.95Å; Y181-L187 HydrophobicContact CD2-CD1 3.95Å; Y181-L187 HydrophobicContact CE1-CB 3.63Å; Y181-L187 HydrophobicContact CE1-CD1 4.41Å; Y181-L187 HydrophobicContact CE2-CB 3.98Å; Y181-L187 HydrophobicContact CE2-CD1 3.46Å; Y181-L187 VanDerWaalsContact CE2-CD1 3.46Å; Y181-L187 HydrophobicContact CE2-CG 4.37Å; Y181-L187 HydrophobicContact CG-CB 3.75Å; Y181-K188 WeakPolarHBondContact CD1-O 3.15Å; Y181-K188 WeakPolarHBondContact CE1-O 3.29Å; Y181-C189 HydrophobicContact CD1-CB 3.92Å; Y181-M205 HydrophobicContact CE1-CE 3.91Å; Y181-M205 HydrophobicContact CE2-CE 4.44Å; Y181-M205 WeakPolarHBondContact OH-CE 3.33Å; Y181-L206 HydrophobicContact CD2-CD2 4.41Å; Y181-L206 HydrophobicContact CE2-CD2 4.16Å; Y181-Y210 HydrophobicContact CE2-CE2 4.45Å; Y181-Y210 WeakPolarHBondContact CE2-OH 3.17Å; Y181-Y210 PolarHBondContact OH-OH 3.36Å
182	G	91.7	Very high	92.5	Very high	25 Å²	25	69.5 Å²	69.5	26%	0.258	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	114.5	-145.9	170.9	0	0	0	0	0	113.6	G156 G185 L187 K188	G156-G182 CarbonylContact O-C 3.58Å; G182-G185 VanDerWaalsContact O-O 3.05Å; G182-L187 PolarHBondContact N-O 3.13Å; G182-K188 PolarHBondContact O-NZ 3.05Å
183	K	93	Very high	91.3	Very high	176 Å²	176	77.8 Å²	77.8	77%	0.765	40%	0.395	S	S	*	.	S	Bend	trans	-81.4	-25.2	179.5	-67	-171	-177.2	174.7	0	112.3	G156 S157 G185	G156-K183 PolarHBondContact O-N 2.97Å; S157-K183 WeakPolarHBondContact O-CD 3.42Å; K183-G185 VanDerWaalsContact C-N 3.32Å
184	C	95.2	Very high	90.1	Very high	32 Å²	32	76 Å²	76	22%	0.216	39%	0.39	C	S	.	.	S	Bend	trans	-90.3	4.2	-177.5	-44.6	0	0	0	0	113.4	W154 G156 C159	W154-C184 HydrophobicContact CH2-CB 3.83Å; W154-C184 HydrophobicContact CZ3-CB 3.77Å; G156-C184 PolarHBondContact O-N 3.04Å; G156-C184 PolarHBondContact O-SG 3.45Å; C159-C184 WeakPolarHBondContact CA-SG 3.35Å; C159-C184 HydrophobicContact CB-CB 3.92Å; C159-C184 WeakPolarHBondContact CB-SG 3.41Å; C159-C184 PolarHBondContact N-SG 3Å; C159-C184 VanDerWaalsContact N-SG 3.4Å; C159-C184 WeakPolarHBondContact SG-CA 3.4Å; C159-C184 WeakPolarHBondContact SG-CB 3.06Å; C159-C184 PolarHBondContact SG-N 3.11Å; C159-C184 CovalentContact SG-SG 2.04Å; C159-C184 PolarHBondContact SG-SG 3.24Å
185	G	94.2	Very high	88.8	Confident	12 Å²	12	71.1 Å²	71.1	12%	0.124	37%	0.372	C	S	.	.	S	Bend	trans	-153	177.2	178.1	0	0	0	0	0	112.6	G182 K183 K188	G182-G185 VanDerWaalsContact O-O 3.05Å; K183-G185 VanDerWaalsContact C-N 3.32Å; G185-K188 PolarHBondContact O-NZ 3.4Å
186	D	93.7	Very high	87.3	Confident	157 Å²	157	71.9 Å²	71.9	84%	0.84	38%	0.375	S	S	*	.	S	Bend	trans	-85.1	-23.1	-170.4	-56.7	-45.3	0	0	0	112.8
187	L	95.5	Very high	85.9	Confident	62 Å²	62	75 Å²	75	33%	0.325	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-80.2	146.1	-178.9	-53.4	173.7	0	0	0	110.9	D179 I180 Y181 G182	D179-L187 HydrophobicContact CB-CD1 3.61Å; I180-L187 VanDerWaalsContact O-CB 3.31Å; I180-L187 WeakPolarHBondContact O-CB 3.42Å; I180-L187 PolarHBondContact O-N 3.42Å; Y181-L187 VanDerWaalsContact CA-O 3.31Å; Y181-L187 WeakPolarHBondContact CA-O 3.12Å; Y181-L187 HydrophobicContact CD1-CB 3.58Å; Y181-L187 HydrophobicContact CD2-CB 3.95Å; Y181-L187 HydrophobicContact CD2-CD1 3.95Å; Y181-L187 HydrophobicContact CE1-CB 3.63Å; Y181-L187 HydrophobicContact CE1-CD1 4.41Å; Y181-L187 HydrophobicContact CE2-CB 3.98Å; Y181-L187 HydrophobicContact CE2-CD1 3.46Å; Y181-L187 VanDerWaalsContact CE2-CD1 3.46Å; Y181-L187 HydrophobicContact CE2-CG 4.37Å; Y181-L187 HydrophobicContact CG-CB 3.75Å; G182-L187 PolarHBondContact N-O 3.13Å
188	K	91.4	Very high	84.7	Confident	139 Å²	139	76.5 Å²	76.5	60%	0.604	40%	0.395	S	S	*	.			trans	-117.6	141.3	-177.3	-55.1	-59.1	170.1	-156	0	111.1	Y181 G182 G185	Y181-K188 WeakPolarHBondContact CD1-O 3.15Å; Y181-K188 WeakPolarHBondContact CE1-O 3.29Å; G182-K188 PolarHBondContact O-NZ 3.05Å; G185-K188 PolarHBondContact O-NZ 3.4Å
189	C	85.8	Confident	83.8	Confident	39 Å²	39	80.7 Å²	80.7	26%	0.264	41%	0.414	S	S	.	.			trans	-126.5	98.8	177	177.3	0	0	0	0	104.7	Y181 K191 C202	Y181-C189 HydrophobicContact CD1-CB 3.92Å; C189-K191 PolarHBondContact O-N 3Å; C189-C202 HydrophobicContact CB-CB 4.2Å; C189-C202 WeakPolarHBondContact CB-SG 3.45Å; C189-C202 WeakPolarHBondContact SG-CB 2.97Å; C189-C202 CovalentContact SG-SG 2.01Å; C189-C202 PolarHBondContact SG-SG 3.26Å
190	P	81.1	Confident	83.1	Confident	100 Å²	100	80.1 Å²	80.1	65%	0.649	41%	0.411	S	S	*	.			trans	-59.1	131	179.8	-22.8	33.7	0	0	0	109.7	T192	P190-T192 PolarHBondContact O-N 3.08Å
191	K	73.9	Confident	82.6	Confident	178 Å²	178	83.2 Å²	83.2	77%	0.774	43%	0.431	S	S	*	.			trans	-71.1	126.9	170.6	-69.9	-170.5	171.9	-163.7	0	108.6	C189	C189-K191 PolarHBondContact O-N 3Å
192	T	78	Confident	82.3	Confident	51 Å²	51	82.6 Å²	82.6	31%	0.313	43%	0.43	S	S	.	.			trans	-109	169.2	171.4	60.7	0	0	0	0	109.6	P190 T194 A195 D200	P190-T192 PolarHBondContact O-N 3.08Å; T192-T194 PolarHBondContact O-N 2.82Å; T192-T194 VanDerWaalsContact O-N 3.1Å; T192-T194 PolarHBondContact OG1-N 3.07Å; T192-T194 PolarHBondContact OG1-OG1 3.41Å; T192-A195 WeakPolarHBondContact O-CB 3.35Å; T192-A195 PolarHBondContact O-N 3.35Å; T192-D200 PolarHBondContact OG1-OD2 3.03Å
193	D	73.7	Confident	81.8	Confident	175 Å²	175	82.6 Å²	82.6	94%	0.936	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.1	171.7	-58.3	-29.4	0	0	0	112.7
194	T	71.1	Confident	81.4	Confident	44 Å²	44	79.3 Å²	79.3	27%	0.27	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	12.1	175.8	57.4	0	0	0	0	113.2	T192 Y196 M197 E199 D200	T192-T194 PolarHBondContact O-N 2.82Å; T192-T194 VanDerWaalsContact O-N 3.1Å; T192-T194 PolarHBondContact OG1-N 3.07Å; T192-T194 PolarHBondContact OG1-OG1 3.41Å; T194-Y196 PolarHBondContact O-N 2.74Å; T194-M197 WeakPolarHBondContact O-CA 3.18Å; T194-M197 WeakPolarHBondContact O-CB 3.33Å; T194-M197 WeakPolarHBondContact O-CG 3.4Å; T194-M197 PolarHBondContact O-N 3.2Å; T194-E199 HydrophobicContact CG2-CB 4.41Å; T194-D200 WeakPolarHBondContact O-CB 3.32Å
195	A	70.1	Confident	81.1	Confident	25 Å²	25	80.2 Å²	80.2	21%	0.207	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	139.1	179.1	0	0	0	0	0	111	T192 M197	T192-A195 WeakPolarHBondContact O-CB 3.35Å; T192-A195 PolarHBondContact O-N 3.35Å; A195-M197 PolarHBondContact O-N 2.61Å
196	Y	65.9	Low	80.9	Confident	93 Å²	93	79.8 Å²	79.8	37%	0.365	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	-3.2	-177.2	-36.1	-72.4	0	0	0	115.3	T194 E227	T194-Y196 PolarHBondContact O-N 2.74Å; Y196-E227 WeakPolarHBondContact CD1-OE1 3.48Å
197	M	69.2	Low	80.4	Confident	77 Å²	77	77.9 Å²	77.9	38%	0.379	39%	0.392	S	S	.	.	S	Bend	trans	-90.8	160.1	174.3	-51.4	-179.1	75.5	0	0	111	T194 A195 E199 D200	T194-M197 WeakPolarHBondContact O-CA 3.18Å; T194-M197 WeakPolarHBondContact O-CB 3.33Å; T194-M197 WeakPolarHBondContact O-CG 3.4Å; T194-M197 PolarHBondContact O-N 3.2Å; A195-M197 PolarHBondContact O-N 2.61Å; M197-E199 PolarHBondContact O-N 3.06Å; M197-E199 VanDerWaalsContact O-N 3.13Å; M197-D200 WeakPolarHBondContact O-CB 3.48Å; M197-D200 PolarHBondContact O-N 3.23Å; M197-D200 VanDerWaalsContact O-N 3.09Å
198	K	69.8	Low	80.1	Confident	151 Å²	151	82.3 Å²	82.3	66%	0.657	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.3	179.9	179.9	-173.1	170.4	-160.3	0	112.5
199	E	79.2	Confident	80.1	Confident	101 Å²	101	78 Å²	78	47%	0.472	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.1	-177.5	-63.5	67.5	-145.9	0	0	112.8	T194 M197 P201 Q204	T194-E199 HydrophobicContact CG2-CB 4.41Å; M197-E199 PolarHBondContact O-N 3.06Å; M197-E199 VanDerWaalsContact O-N 3.13Å; E199-P201 WeakPolarHBondContact O-CD 2.98Å; E199-Q204 PolarHBondContact O-NE2 3.03Å
200	D	81.9	Confident	80.5	Confident	9 Å²	9	76.2 Å²	76.2	5%	0.048	38%	0.38	C	S	.	.			trans	-55.9	122.4	176.8	173.7	-132.2	0	0	0	111.7	T192 T194 M197 C202 E203 Q204	T192-D200 PolarHBondContact OG1-OD2 3.03Å; T194-D200 WeakPolarHBondContact O-CB 3.32Å; M197-D200 WeakPolarHBondContact O-CB 3.48Å; M197-D200 PolarHBondContact O-N 3.23Å; M197-D200 VanDerWaalsContact O-N 3.09Å; D200-C202 PolarHBondContact O-N 3.44Å; D200-C202 VanDerWaalsContact OD1-CB 3.28Å; D200-C202 WeakPolarHBondContact OD1-CB 3.22Å; D200-C202 PolarHBondContact OD1-N 3.44Å; D200-C202 PolarHBondContact OD2-N 2.99Å; D200-E203 HydrophobicContact CB-CB 3.99Å; D200-E203 HydrophobicContact CB-CG 4.06Å; D200-E203 PolarHBondContact O-N 2.93Å; D200-E203 WeakPolarHBondContact OD1-CG 3.48Å; D200-E203 PolarHBondContact OD1-N 3.45Å; D200-Q204 WeakPolarHBondContact O-CG 3.46Å; D200-Q204 PolarHBondContact O-N 3.11Å
201	P	86.2	Confident	81.2	Confident	78 Å²	78	72 Å²	72	51%	0.506	35%	0.351	S	S	.	.	H	α-helix	trans	-56.4	-33.6	177.8	-27.6	35.7	0	0	0	113.6	E199 M205	E199-P201 WeakPolarHBondContact O-CD 2.98Å; P201-M205 WeakPolarHBondContact O-CB 3.44Å; P201-M205 PolarHBondContact O-N 3.14Å
202	C	87.1	Confident	82.2	Confident	10 Å²	10	63.5 Å²	63.5	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-72.3	-49.2	-179.8	-170.8	0	0	0	0	111	C189 D200 Q204 M205 L206	C189-C202 HydrophobicContact CB-CB 4.2Å; C189-C202 WeakPolarHBondContact CB-SG 3.45Å; C189-C202 WeakPolarHBondContact SG-CB 2.97Å; C189-C202 CovalentContact SG-SG 2.01Å; C189-C202 PolarHBondContact SG-SG 3.26Å; D200-C202 PolarHBondContact O-N 3.44Å; D200-C202 VanDerWaalsContact OD1-CB 3.28Å; D200-C202 WeakPolarHBondContact OD1-CB 3.22Å; D200-C202 PolarHBondContact OD1-N 3.44Å; D200-C202 PolarHBondContact OD2-N 2.99Å; C202-Q204 VanDerWaalsContact C-N 3.28Å; C202-Q204 PolarHBondContact O-N 2.83Å; C202-M205 WeakPolarHBondContact O-CB 3.45Å; C202-M205 PolarHBondContact O-N 2.84Å; C202-L206 WeakPolarHBondContact O-CG 3.35Å; C202-L206 PolarHBondContact O-N 2.87Å
203	E	81.6	Confident	83	Confident	25 Å²	25	62.2 Å²	62.2	12%	0.117	30%	0.304	C	S	.	.	H	α-helix	trans	-53.1	-44	171.1	-77.3	-55.6	131.6	0	0	112.7	M155 D200 M205 L206 K207	M155-E203 VanDerWaalsContact CE-OE1 3.3Å; M155-E203 WeakPolarHBondContact CE-OE1 3.37Å; D200-E203 HydrophobicContact CB-CB 3.99Å; D200-E203 HydrophobicContact CB-CG 4.06Å; D200-E203 PolarHBondContact O-N 2.93Å; D200-E203 WeakPolarHBondContact OD1-CG 3.48Å; D200-E203 PolarHBondContact OD1-N 3.45Å; E203-M205 PolarHBondContact O-N 3.37Å; E203-L206 PolarHBondContact O-N 2.87Å; E203-K207 VanDerWaalsContact O-CB 3.23Å; E203-K207 WeakPolarHBondContact O-CB 3.46Å; E203-K207 PolarHBondContact O-N 2.93Å
204	Q	84.2	Confident	84	Confident	108 Å²	108	54 Å²	54	51%	0.505	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-42.4	176.5	-72	-174.3	66.9	0	0	112.3	E199 D200 C202 K208	E199-Q204 PolarHBondContact O-NE2 3.03Å; D200-Q204 WeakPolarHBondContact O-CG 3.46Å; D200-Q204 PolarHBondContact O-N 3.11Å; C202-Q204 VanDerWaalsContact C-N 3.28Å; C202-Q204 PolarHBondContact O-N 2.83Å; Q204-K208 VanDerWaalsContact O-CB 3.3Å; Q204-K208 WeakPolarHBondContact O-CB 3.45Å; Q204-K208 PolarHBondContact O-N 2.92Å
205	M	89.4	Confident	85	Confident	50 Å²	50	52.3 Å²	52.3	25%	0.246	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-45.9	176	178.6	-75.7	-62.1	0	0	111.2	Y181 P201 C202 E203 K207 K208 N209 Y210	Y181-M205 HydrophobicContact CE1-CE 3.91Å; Y181-M205 HydrophobicContact CE2-CE 4.44Å; Y181-M205 WeakPolarHBondContact OH-CE 3.33Å; P201-M205 WeakPolarHBondContact O-CB 3.44Å; P201-M205 PolarHBondContact O-N 3.14Å; C202-M205 WeakPolarHBondContact O-CB 3.45Å; C202-M205 PolarHBondContact O-N 2.84Å; E203-M205 PolarHBondContact O-N 3.37Å; M205-K207 PolarHBondContact O-N 2.9Å; M205-K208 PolarHBondContact O-N 3.11Å; M205-N209 WeakPolarHBondContact CG-ND2 3.35Å; M205-N209 WeakPolarHBondContact O-CB 3.42Å; M205-N209 PolarHBondContact O-N 3.15Å; M205-N209 PolarHBondContact O-ND2 3.4Å; M205-N209 PolarHBondContact SD-ND2 3.37Å; M205-N209 VanDerWaalsContact SD-ND2 3.44Å; M205-Y210 HydrophobicContact SD-CE2 4.05Å
206	L	89.2	Confident	86	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-49.2	178	-66.5	-175.2	0	0	0	110.7	V153 M155 Y181 C202 E203 K208 N209 Y210 Y213	V153-L206 HydrophobicContact CB-CD2 4.38Å; V153-L206 HydrophobicContact CG1-CD2 4.12Å; V153-L206 HydrophobicContact CG2-CD2 3.7Å; M155-L206 HydrophobicContact CE-CD1 4.07Å; M155-L206 HydrophobicContact CG-CD1 4.15Å; M155-L206 HydrophobicContact SD-CD1 3.65Å; Y181-L206 HydrophobicContact CD2-CD2 4.41Å; Y181-L206 HydrophobicContact CE2-CD2 4.16Å; C202-L206 WeakPolarHBondContact O-CG 3.35Å; C202-L206 PolarHBondContact O-N 2.87Å; E203-L206 PolarHBondContact O-N 2.87Å; L206-K208 VanDerWaalsContact C-N 3.28Å; L206-K208 PolarHBondContact O-N 3.23Å; L206-N209 PolarHBondContact O-N 3.2Å; L206-Y210 HydrophobicContact CB-CD2 4.5Å; L206-Y210 HydrophobicContact CD2-CD2 3.86Å; L206-Y210 HydrophobicContact CD2-CE2 3.6Å; L206-Y210 PolarHBondContact O-N 2.98Å; L206-Y213 HydrophobicContact CD1-CE2 4.41Å
207	K	84.6	Confident	87	Confident	116 Å²	116	48 Å²	48	50%	0.504	23%	0.229	S	C	.	.	H	α-helix	trans	-59.2	-36.5	176.4	-171.9	177.6	177.4	-178.4	0	112.7	K148 E203 M205 X229	K148-K207 PolarHBondContact NZ-O 3.34Å; E203-K207 VanDerWaalsContact O-CB 3.23Å; E203-K207 WeakPolarHBondContact O-CB 3.46Å; E203-K207 PolarHBondContact O-N 2.93Å; M205-K207 PolarHBondContact O-N 2.9Å; K207-A229 HydrophobicContact CB-CB 3.91Å; K207-A229 HydrophobicContact CD-CB 4.39Å; K207-A229 HydrophobicContact CG-CB 4.16Å
208	K	87.8	Confident	87.6	Confident	155 Å²	155	46 Å²	46	67%	0.674	22%	0.221	S	C	*	.	H	α-helix	trans	-75.7	-38.3	-179.6	-174.4	177.3	176.8	-178.4	0	112.1	K148 Q204 M205 L206	K148-K208 WeakPolarHBondContact CG-O 3.23Å; Q204-K208 VanDerWaalsContact O-CB 3.3Å; Q204-K208 WeakPolarHBondContact O-CB 3.45Å; Q204-K208 PolarHBondContact O-N 2.92Å; M205-K208 PolarHBondContact O-N 3.11Å; L206-K208 VanDerWaalsContact C-N 3.28Å; L206-K208 PolarHBondContact O-N 3.23Å
209	N	92.9	Very high	88.4	Confident	50 Å²	50	38.9 Å²	38.9	27%	0.267	19%	0.19	S	C	.	.	H	α-helix	trans	-100.1	-31.7	-164.6	-66.7	-31.4	0	0	0	114.8	R149 K150 M205 L206	R149-N209 PolarHBondContact N-O 3.09Å; K150-N209 WeakPolarHBondContact CB-O 3.42Å; K150-N209 PolarHBondContact N-O 2.97Å; M205-N209 WeakPolarHBondContact CG-ND2 3.35Å; M205-N209 WeakPolarHBondContact O-CB 3.42Å; M205-N209 PolarHBondContact O-N 3.15Å; M205-N209 PolarHBondContact O-ND2 3.4Å; M205-N209 PolarHBondContact SD-ND2 3.37Å; M205-N209 VanDerWaalsContact SD-ND2 3.44Å; L206-N209 PolarHBondContact O-N 3.2Å
210	Y	94.7	Very high	88.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.8	-172.2	-61.5	-89.8	0	0	0	113.3	K148 K150 A152 V153 D179 Y181 M205 L206	K148-Y210 WeakPolarHBondContact CD-O 3.44Å; K148-Y210 PolarHBondContact NZ-O 3.02Å; K150-Y210 HydrophobicContact CB-CD1 3.33Å; K150-Y210 HydrophobicContact CB-CE1 3.41Å; K150-Y210 VanDerWaalsContact CB-CE1 3.41Å; K150-Y210 HydrophobicContact CB-CG 4.04Å; K150-Y210 HydrophobicContact CD-CD1 4.08Å; K150-Y210 HydrophobicContact CD-CE1 3.32Å; K150-Y210 HydrophobicContact CD-CE2 4.06Å; K150-Y210 WeakPolarHBondContact CD-OH 3.44Å; K150-Y210 HydrophobicContact CG-CD1 4.37Å; K150-Y210 HydrophobicContact CG-CE1 4.03Å; K150-Y210 PolarHBondContact NZ-OH 3.1Å; K150-Y210 WeakPolarHBondContact O-CA 3.4Å; A152-Y210 WeakPolarHBondContact O-CD1 3.43Å; V153-Y210 HydrophobicContact CB-CD1 3.55Å; V153-Y210 HydrophobicContact CB-CD2 3.92Å; V153-Y210 HydrophobicContact CB-CE1 3.68Å; V153-Y210 HydrophobicContact CB-CE2 4.03Å; V153-Y210 HydrophobicContact CB-CG 3.67Å; V153-Y210 HydrophobicContact CG1-CD1 4.03Å; V153-Y210 HydrophobicContact CG1-CD2 3.86Å; V153-Y210 HydrophobicContact CG1-CE2 4.39Å; V153-Y210 HydrophobicContact CG1-CG 3.64Å; V153-Y210 HydrophobicContact CG2-CD2 4.43Å; V153-Y210 HydrophobicContact CG2-CE1 4.24Å; V153-Y210 HydrophobicContact CG2-CE2 4.13Å; D179-Y210 HydrophobicContact CB-CE1 3.68Å; D179-Y210 WeakPolarHBondContact CB-OH 3.3Å; D179-Y210 PolarHBondContact OD2-OH 3.13Å; Y181-Y210 HydrophobicContact CE2-CE2 4.45Å; Y181-Y210 WeakPolarHBondContact CE2-OH 3.17Å; Y181-Y210 PolarHBondContact OH-OH 3.36Å; M205-Y210 HydrophobicContact SD-CE2 4.05Å; L206-Y210 HydrophobicContact CB-CD2 4.5Å; L206-Y210 HydrophobicContact CD2-CD2 3.86Å; L206-Y210 HydrophobicContact CD2-CE2 3.6Å; L206-Y210 PolarHBondContact O-N 2.98Å
211	K	94.7	Very high	88.7	Confident	12 Å²	12	34.2 Å²	34.2	5%	0.052	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-42.2	173.6	-67.3	179.1	-169.3	-83.3	0	112.3	A145 K148 K150 V151 X230 V231 S269 Y275	A145-K211 PolarHBondContact O-NZ 2.94Å; K148-K211 HydrophobicContact CB-CG 3.79Å; K148-K211 HydrophobicContact CD-CG 4.2Å; K150-K211 PolarHBondContact O-N 3.43Å; K150-K211 VanDerWaalsContact O-N 3.07Å; V151-K211 WeakPolarHBondContact O-CB 3.47Å; V151-K211 PolarHBondContact O-N 2.84Å; V151-K211 VanDerWaalsContact O-N 3.16Å; K211-A230 WeakPolarHBondContact O-CB 3.19Å; K211-V231 PolarHBondContact O-N 2.94Å; K211-V231 VanDerWaalsContact O-N 3.11Å; K211-S269 WeakPolarHBondContact CD-OG 3.46Å; K211-S269 WeakPolarHBondContact CE-O 3.38Å; K211-S269 VanDerWaalsContact CE-OG 3.31Å; K211-S269 WeakPolarHBondContact CE-OG 3.36Å; K211-S269 PolarHBondContact NZ-O 3.15Å; K211-Y275 VanDerWaalsContact CA-OH 3.29Å; K211-Y275 WeakPolarHBondContact CA-OH 3.37Å; K211-Y275 HydrophobicContact CB-CD2 4.47Å; K211-Y275 HydrophobicContact CB-CE2 3.6Å; K211-Y275 HydrophobicContact CD-CE2 4.43Å; K211-Y275 HydrophobicContact CG-CE2 4.1Å; K211-Y275 PolarHBondContact O-OH 2.71Å
212	F	95.7	Very high	88.6	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.5	-175.7	-53.4	-70.7	0	0	0	111.4	V151 A152 V153 V231 V233 I250 L265 L268 Y275	V151-F212 HydrophobicContact CG1-CD2 4.01Å; V151-F212 HydrophobicContact CG1-CE2 4.2Å; V151-F212 WeakPolarHBondContact O-CD2 3.43Å; V151-F212 PolarHBondContact O-N 2.97Å; A152-F212 WeakPolarHBondContact CA-O 3.28Å; A152-F212 HydrophobicContact CB-CB 4.16Å; V153-F212 PolarHBondContact N-O 2.8Å; F212-V231 WeakPolarHBondContact CA-O 3.23Å; F212-V231 HydrophobicContact CD1-CB 3.92Å; F212-V231 HydrophobicContact CD1-CG1 4.22Å; F212-V231 HydrophobicContact CE1-CB 4.22Å; F212-V231 HydrophobicContact CE1-CG1 4.36Å; F212-V233 HydrophobicContact CB-CG2 3.95Å; F212-V233 HydrophobicContact CD1-CG2 4.21Å; F212-V233 HydrophobicContact CG-CG2 4.35Å; F212-I250 HydrophobicContact CD1-CD1 4.08Å; F212-I250 HydrophobicContact CE1-CD1 3.76Å; F212-L265 HydrophobicContact CD1-CD2 3.79Å; F212-L265 HydrophobicContact CD2-CB 4.23Å; F212-L265 HydrophobicContact CD2-CD2 4.05Å; F212-L265 HydrophobicContact CE1-CD2 3.85Å; F212-L265 HydrophobicContact CE2-CB 4.1Å; F212-L265 HydrophobicContact CE2-CD2 4.11Å; F212-L265 WeakPolarHBondContact CE2-O 3.16Å; F212-L265 HydrophobicContact CG-CD2 3.91Å; F212-L265 HydrophobicContact CZ-CD2 4.02Å; F212-L268 HydrophobicContact CE1-CB 4.46Å; F212-L268 HydrophobicContact CE1-CD1 4.03Å; F212-L268 HydrophobicContact CE2-CB 4.5Å; F212-L268 HydrophobicContact CZ-CB 3.65Å; F212-L268 HydrophobicContact CZ-CD1 4Å; F212-Y275 HydrophobicContact CD1-CE2 4.46Å; F212-Y275 AromaticContact CE1-CD2 3.95Å; F212-Y275 HydrophobicContact CE1-CD2 3.95Å; F212-Y275 AromaticContact CE1-CE2 3.79Å; F212-Y275 HydrophobicContact CE1-CE2 3.79Å; F212-Y275 AromaticContact CZ-CD2 3.75Å; F212-Y275 HydrophobicContact CZ-CD2 3.75Å; F212-Y275 AromaticContact CZ-CE2 3.84Å; F212-Y275 HydrophobicContact CZ-CE2 3.84Å
213	Y	94.3	Very high	88.3	Confident	24 Å²	24	32.9 Å²	32.9	9%	0.094	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.1	169	179.8	-99.5	0	0	0	107.7	V153 M155 L206 A215 V231 P232 V233	V153-Y213 HydrophobicContact CG1-CD2 3.86Å; M155-Y213 HydrophobicContact CB-CE2 4.44Å; M155-Y213 HydrophobicContact CE-CE2 3.83Å; M155-Y213 WeakPolarHBondContact CE-OH 3.45Å; M155-Y213 HydrophobicContact CG-CE2 4.01Å; L206-Y213 HydrophobicContact CD1-CE2 4.41Å; Y213-A215 VanDerWaalsContact C-N 3.33Å; Y213-A215 HydrophobicContact CD1-CB 3.89Å; Y213-A215 HydrophobicContact CE1-CB 4.05Å; Y213-A215 PolarHBondContact O-N 3.13Å; Y213-V231 PolarHBondContact N-O 3.17Å; Y213-P232 WeakPolarHBondContact O-CA 3.45Å; Y213-V233 PolarHBondContact O-N 3.25Å
214	L	95.5	Very high	87.8	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	89.1	176.9	-55.5	-171.1	0	0	0	108.4	A152 V153 W154 V169 L172 V178 F216 V233	A152-L214 HydrophobicContact CB-CD2 4.33Å; A152-L214 HydrophobicContact CB-CG 4.44Å; V153-L214 PolarHBondContact O-N 3.08Å; W154-L214 HydrophobicContact CB-CB 4.07Å; W154-L214 HydrophobicContact CB-CD1 4.18Å; W154-L214 HydrophobicContact CB-CG 4.44Å; W154-L214 HydrophobicContact CG-CB 4.37Å; V169-L214 HydrophobicContact CG2-CD1 4.24Å; L172-L214 HydrophobicContact CD2-CD1 3.75Å; L172-L214 HydrophobicContact CD2-CD2 4.43Å; V178-L214 HydrophobicContact CG1-CD1 3.69Å; V178-L214 HydrophobicContact CG2-CD1 4.38Å; L214-F216 HydrophobicContact CB-CD2 4.16Å; L214-F216 HydrophobicContact CB-CE2 4.06Å; L214-F216 HydrophobicContact CB-CG 4.47Å; L214-F216 HydrophobicContact CB-CZ 4.28Å; L214-F216 HydrophobicContact CD1-CE2 4.02Å; L214-F216 HydrophobicContact CD1-CZ 4.49Å; L214-F216 HydrophobicContact CD2-CE2 4.48Å; L214-F216 HydrophobicContact CD2-CZ 4.16Å; L214-F216 HydrophobicContact CG-CE2 4.41Å; L214-F216 PolarHBondContact O-N 3.49Å; L214-V233 HydrophobicContact CD2-CB 3.76Å; L214-V233 HydrophobicContact CD2-CG1 4.2Å; L214-V233 HydrophobicContact CD2-CG2 3.94Å
215	A	92	Very high	87.1	Confident	9 Å²	9	28.5 Å²	28.5	7%	0.074	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	53.1	177.4	0	0	0	0	0	110.5	Y213 E217 P232 V233 V234	Y213-A215 VanDerWaalsContact C-N 3.33Å; Y213-A215 HydrophobicContact CD1-CB 3.89Å; Y213-A215 HydrophobicContact CE1-CB 4.05Å; Y213-A215 PolarHBondContact O-N 3.13Å; A215-E217 PolarHBondContact O-N 2.99Å; A215-P232 HydrophobicContact CB-CB 4.19Å; A215-V233 PolarHBondContact N-O 3.5Å; A215-V234 HydrophobicContact CB-CG1 4.28Å
216	F	91.3	Very high	85.7	Confident	3 Å²	3	27.9 Å²	27.9	1%	0.013	13%	0.134	C	C	.	.			trans	-83.6	104.6	174.8	-57	-23	0	0	0	108.5	R165 Y168 V169 L214 V233 F235 A252	R165-F216 HydrophobicContact CB-CB 3.75Å; R165-F216 WeakPolarHBondContact CD-O 3.38Å; R165-F216 PolarHBondContact NH1-O 3.32Å; Y168-F216 HydrophobicContact CD1-CD2 4.48Å; Y168-F216 AromaticContact CD1-CE2 3.72Å; Y168-F216 HydrophobicContact CD1-CE2 3.72Å; Y168-F216 HydrophobicContact CD1-CZ 4.11Å; Y168-F216 HydrophobicContact CE1-CE2 4.07Å; Y168-F216 HydrophobicContact CE1-CZ 4Å; V169-F216 HydrophobicContact CG2-CD2 3.53Å; V169-F216 HydrophobicContact CG2-CE2 3.73Å; L214-F216 HydrophobicContact CB-CD2 4.16Å; L214-F216 HydrophobicContact CB-CE2 4.06Å; L214-F216 HydrophobicContact CB-CG 4.47Å; L214-F216 HydrophobicContact CB-CZ 4.28Å; L214-F216 HydrophobicContact CD1-CE2 4.02Å; L214-F216 HydrophobicContact CD1-CZ 4.49Å; L214-F216 HydrophobicContact CD2-CE2 4.48Å; L214-F216 HydrophobicContact CD2-CZ 4.16Å; L214-F216 HydrophobicContact CG-CE2 4.41Å; L214-F216 PolarHBondContact O-N 3.49Å; F216-V233 WeakPolarHBondContact CD1-O 3.41Å; F216-V233 HydrophobicContact CE1-CB 4.43Å; F216-V233 HydrophobicContact CE1-CG1 3.98Å; F216-V233 VanDerWaalsContact CE1-O 3.31Å; F216-V233 WeakPolarHBondContact CE1-O 3.44Å; F216-V233 HydrophobicContact CZ-CG1 4.22Å; F216-F235 HydrophobicContact CD1-CB 4.11Å; F216-F235 HydrophobicContact CD1-CD2 4.07Å; F216-F235 HydrophobicContact CD1-CG 4.17Å; F216-F235 HydrophobicContact CE1-CD2 4.23Å; F216-F235 HydrophobicContact CG-CD2 4.37Å; F216-F235 HydrophobicContact CG-CG 4.43Å; F216-A252 HydrophobicContact CE1-CB 4.15Å; F216-A252 HydrophobicContact CZ-CB 4.37Å
217	E	87	Confident	84.2	Confident	24 Å²	24	29.8 Å²	29.8	11%	0.112	14%	0.143	C	C	.	.			trans	-65.2	151	179.5	-62	-60.4	164.6	0	0	112.1	S163 A215 S219 F224 V225 T226	S163-E217 WeakPolarHBondContact CB-O 3.4Å; S163-E217 PolarHBondContact OG-O 3.4Å; A215-E217 PolarHBondContact O-N 2.99Å; E217-S219 WeakPolarHBondContact CB-O 3.49Å; E217-S219 PolarHBondContact O-N 3.26Å; E217-F224 HydrophobicContact CB-CD1 3.86Å; E217-F224 HydrophobicContact CB-CE1 4.12Å; E217-F224 HydrophobicContact CG-CD1 3.87Å; E217-F224 HydrophobicContact CG-CE1 4.28Å; E217-F224 WeakPolarHBondContact OE2-CE1 3.38Å; E217-V225 WeakPolarHBondContact OE1-CA 3.47Å; E217-T226 PolarHBondContact OE1-N 2.59Å; E217-T226 PolarHBondContact OE1-OG1 3.14Å
218	N	80.8	Confident	82.7	Confident	37 Å²	37	26.4 Å²	26.4	20%	0.198	14%	0.137	C	C	.	.	S	Bend	trans	-59.1	-31.2	175.3	-69.4	-24.1	0	0	0	111.8	T161 S163 R165	T161-N218 WeakPolarHBondContact CB-O 3.46Å; T161-N218 HydrophobicContact CG2-CB 4.28Å; T161-N218 PolarHBondContact OG1-O 3.41Å; S163-N218 VanDerWaalsContact CB-O 3.24Å; S163-N218 WeakPolarHBondContact CB-O 3.36Å; S163-N218 PolarHBondContact N-O 2.76Å; S163-N218 VanDerWaalsContact N-O 3.13Å; S163-N218 PolarHBondContact OG-O 3.34Å; R165-N218 PolarHBondContact NE-OD1 2.64Å; R165-N218 PolarHBondContact NH2-OD1 3.4Å
219	S	86.4	Confident	81.2	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.007	12%	0.115	C	C	.	.	S	Bend	trans	-130.6	129.3	177.4	-59.2	0	0	0	0	109.9	S91 H93 E217 C221	S91-S219 VanDerWaalsContact OG-CB 3.23Å; S91-S219 WeakPolarHBondContact OG-CB 3.19Å; S91-S219 PolarHBondContact OG-OG 2.74Å; H93-S219 PolarHBondContact ND1-OG 3.42Å; E217-S219 WeakPolarHBondContact CB-O 3.49Å; E217-S219 PolarHBondContact O-N 3.26Å; S219-C221 VanDerWaalsContact CB-SG 3.51Å; S219-C221 PolarHBondContact O-N 2.86Å; S219-C221 VanDerWaalsContact O-N 3.13Å
220	V	86.2	Confident	80.5	Confident	8 Å²	8	18.5 Å²	18.5	5%	0.048	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-86	81.9	174.7	-176	0	0	0	0	108.1	F235 K236 C333 I334 F337	V220-F235 HydrophobicContact CG2-CB 4.26Å; V220-F235 HydrophobicContact CG2-CD1 3.48Å; V220-F235 VanDerWaalsContact CG2-CD1 3.48Å; V220-F235 HydrophobicContact CG2-CE1 4.26Å; V220-F235 HydrophobicContact CG2-CG 4.27Å; V220-K236 HydrophobicContact CG1-CB 3.73Å; V220-K236 HydrophobicContact CG1-CD 3.8Å; V220-K236 HydrophobicContact CG1-CG 4.38Å; V220-C333 CarbonylContact O-C 3.49Å; V220-C333 WeakPolarHBondContact O-CA 3.33Å; V220-I334 PolarHBondContact O-N 2.66Å; V220-F337 HydrophobicContact CB-CB 4.46Å; V220-F337 HydrophobicContact CG1-CD1 4.23Å; V220-F337 HydrophobicContact CG1-CG 4.41Å; V220-F337 HydrophobicContact CG2-CB 3.92Å; V220-F337 HydrophobicContact CG2-CD1 3.89Å; V220-F337 HydrophobicContact CG2-CG 4.14Å
221	C	80.6	Confident	80.4	Confident	3 Å²	3	18.6 Å²	18.6	2%	0.02	11%	0.108	C	C	.	.			trans	-120.4	157.6	-177.5	-57.9	0	0	0	0	111	S219 D223 F224 H239 C333	S219-C221 VanDerWaalsContact CB-SG 3.51Å; S219-C221 PolarHBondContact O-N 2.86Å; S219-C221 VanDerWaalsContact O-N 3.13Å; C221-D223 PolarHBondContact O-N 3.13Å; C221-F224 HydrophobicContact CB-CB 4.42Å; C221-F224 PolarHBondContact O-N 3.32Å; C221-H239 PolarHBondContact O-CD2 2.96Å; C221-H239 VanDerWaalsContact O-CD2 3.24Å; C221-C333 HydrophobicContact CB-CB 4.2Å; C221-C333 WeakPolarHBondContact CB-SG 3.38Å; C221-C333 WeakPolarHBondContact SG-CB 3.42Å; C221-C333 CovalentContact SG-SG 2.03Å; C221-C333 PolarHBondContact SG-SG 2.86Å
222	K	84.8	Confident	80.3	Confident	53 Å²	53	18.5 Å²	18.5	23%	0.23	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	133.5	177.9	-174.8	-177.5	-164.8	155	0	111.4	Y114 F224 S331 E332	Y114-K222 WeakPolarHBondContact CE2-O 3.23Å; K222-F224 PolarHBondContact O-N 2.85Å; K222-F224 VanDerWaalsContact O-N 3.09Å; K222-S331 WeakPolarHBondContact CB-O 2.95Å; K222-S331 PolarHBondContact N-O 3.31Å; K222-E332 HydrophobicContact CB-CB 4.29Å; K222-E332 WeakPolarHBondContact CD-OE1 3.27Å; K222-E332 IonicContact NZ-OE1 2.85Å; K222-E332 PolarHBondContact NZ-OE1 2.9Å
223	D	81.7	Confident	80.3	Confident	7 Å²	7	18.5 Å²	18.5	4%	0.037	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	5	175.4	-57.2	-30.5	0	0	0	116.9	Y114 R116 C221 V225 L243	Y114-D223 HydrophobicContact CD2-CB 4.44Å; Y114-D223 WeakPolarHBondContact CD2-O 3.37Å; R116-D223 WeakPolarHBondContact CB-OD2 3.43Å; R116-D223 IonicContact CZ-OD1 2.91Å; R116-D223 VanDerWaalsContact CZ-OD1 3.24Å; R116-D223 PolarHBondContact N-OD2 3.13Å; R116-D223 VanDerWaalsContact N-OD2 3.13Å; R116-D223 VanDerWaalsContact NE-CG 3.33Å; R116-D223 IonicContact NE-OD1 3.25Å; R116-D223 PolarHBondContact NE-OD1 2.78Å; R116-D223 IonicContact NE-OD2 2.78Å; R116-D223 PolarHBondContact NE-OD2 3.3Å; R116-D223 IonicContact NH2-OD1 2.71Å; R116-D223 PolarHBondContact NH2-OD1 3.09Å; R116-D223 IonicContact NH2-OD2 3.76Å; C221-D223 PolarHBondContact O-N 3.13Å; D223-V225 PolarHBondContact O-N 2.87Å; D223-L243 HydrophobicContact CB-CD1 4.28Å; D223-L243 WeakPolarHBondContact O-CD1 3.17Å
224	F	69.4	Low	80.4	Confident	12 Å²	12	17.5 Å²	17.5	5%	0.053	10%	0.104	C	C	.	.			trans	-85.4	110.6	-178.9	-168.6	-107.9	0	0	0	111.1	M89 Y114 Y124 E217 C221 K222 T226	M89-F224 WeakPolarHBondContact O-CE2 3.48Å; Y114-F224 AromaticContact CD1-CD2 3.79Å; Y114-F224 HydrophobicContact CD1-CD2 3.79Å; Y114-F224 HydrophobicContact CD1-CE2 4.22Å; Y114-F224 HydrophobicContact CD2-CB 4.11Å; Y114-F224 AromaticContact CD2-CD2 3.89Å; Y114-F224 HydrophobicContact CD2-CD2 3.89Å; Y114-F224 AromaticContact CE1-CD2 3.61Å; Y114-F224 HydrophobicContact CE1-CD2 3.61Å; Y114-F224 HydrophobicContact CE1-CE2 4.15Å; Y114-F224 HydrophobicContact CE2-CB 3.6Å; Y114-F224 AromaticContact CE2-CD2 3.73Å; Y114-F224 HydrophobicContact CE2-CD2 3.73Å; Y114-F224 HydrophobicContact CE2-CG 4.15Å; Y114-F224 AromaticContact CG-CD2 3.93Å; Y114-F224 HydrophobicContact CG-CD2 3.93Å; Y114-F224 AromaticContact CZ-CD2 3.59Å; Y124-F224 HydrophobicContact CE2-CE2 4.01Å; E217-F224 HydrophobicContact CB-CD1 3.86Å; E217-F224 HydrophobicContact CB-CE1 4.12Å; E217-F224 HydrophobicContact CG-CD1 3.87Å; E217-F224 HydrophobicContact CG-CE1 4.28Å; E217-F224 WeakPolarHBondContact OE2-CE1 3.38Å; C221-F224 HydrophobicContact CB-CB 4.42Å; C221-F224 PolarHBondContact O-N 3.32Å; K222-F224 PolarHBondContact O-N 2.85Å; K222-F224 VanDerWaalsContact O-N 3.09Å; F224-T226 HydrophobicContact CE1-CG2 4.23Å; F224-T226 HydrophobicContact CE2-CG2 4.48Å; F224-T226 HydrophobicContact CZ-CG2 3.98Å
225	V	71	Confident	80.3	Confident	30 Å²	30	17.8 Å²	17.8	18%	0.182	11%	0.106	C	C	.	.			trans	-146.6	127.7	178.5	-179.3	0	0	0	0	109.2	E217 D223 V240 L243	E217-V225 WeakPolarHBondContact OE1-CA 3.47Å; D223-V225 PolarHBondContact O-N 2.87Å; V225-V240 HydrophobicContact CG2-CB 4.36Å; V225-V240 HydrophobicContact CG2-CG1 4.14Å; V225-V240 HydrophobicContact CG2-CG2 3.75Å; V225-L243 HydrophobicContact CB-CD1 4.42Å; V225-L243 HydrophobicContact CG2-CD1 3.76Å
226	T	58.8	Low	80.5	Confident	36 Å²	36	19.3 Å²	19.3	22%	0.221	11%	0.111	C	C	.	.			trans	-104	-28.9	-175	63.6	0	0	0	0	116.5	Y124 E217 F224	Y124-T226 HydrophobicContact CD2-CG2 3.89Å; Y124-T226 HydrophobicContact CE2-CG2 3.94Å; Y124-T226 HydrophobicContact CG-CG2 4.34Å; E217-T226 PolarHBondContact OE1-N 2.59Å; E217-T226 PolarHBondContact OE1-OG1 3.14Å; F224-T226 HydrophobicContact CE1-CG2 4.23Å; F224-T226 HydrophobicContact CE2-CG2 4.48Å; F224-T226 HydrophobicContact CZ-CG2 3.98Å
227	E	58	Low	80.6	Confident	45 Å²	45	22.1 Å²	22.1	21%	0.21	12%	0.121	C	C	.	.			trans	-170.5	156.3	-171.9	-101.6	144.4	-148.6	0	0	114.3	Y196	Y196-E227 WeakPolarHBondContact CD1-OE1 3.48Å
228	X	52.4	Low	81	Confident	45 Å²	45	23.8 Å²	23.8	37%	0.372	14%	0.136	S	C	.	.			trans	-162.9	111.2	160.6	0	0	0	0	0	114.8	P232	A228-P232 HydrophobicContact CB-CB 3.77Å; A228-P232 HydrophobicContact CB-CG 3.8Å
229	X	58	Low	81.5	Confident	27 Å²	27	22.6 Å²	22.6	22%	0.223	13%	0.129	C	C	.	.	S	Bend	trans	-94.2	-32.1	170.8	0	0	0	0	0	113.9	K207	K207-A229 HydrophobicContact CB-CB 3.91Å; K207-A229 HydrophobicContact CD-CB 4.39Å; K207-A229 HydrophobicContact CG-CB 4.16Å
230	X	77.9	Confident	81.7	Confident	11 Å²	11	23 Å²	23	9%	0.091	13%	0.131	C	C	.	.	S	Bend	trans	-100.8	-173.1	173.5	0	0	0	0	0	110.8	K211 P232	K211-A230 WeakPolarHBondContact O-CB 3.19Å; A230-P232 WeakPolarHBondContact O-CD 3.3Å
231	V	91.1	Very high	82.1	Confident	3 Å²	3	27 Å²	27	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	115.6	170.1	179.2	0	0	0	0	107.4	K211 F212 Y213 I250 Y275 Y278 Y279	K211-V231 PolarHBondContact O-N 2.94Å; K211-V231 VanDerWaalsContact O-N 3.11Å; F212-V231 WeakPolarHBondContact CA-O 3.23Å; F212-V231 HydrophobicContact CD1-CB 3.92Å; F212-V231 HydrophobicContact CD1-CG1 4.22Å; F212-V231 HydrophobicContact CE1-CB 4.22Å; F212-V231 HydrophobicContact CE1-CG1 4.36Å; Y213-V231 PolarHBondContact N-O 3.17Å; V231-I250 HydrophobicContact CG1-CD1 4.17Å; V231-I250 HydrophobicContact CG1-CG1 4.29Å; V231-Y275 HydrophobicContact CG2-CE2 3.78Å; V231-Y278 HydrophobicContact CG1-CD1 3.81Å; V231-Y278 HydrophobicContact CG1-CG 3.85Å; V231-Y278 HydrophobicContact CG2-CG 4.33Å; V231-Y279 HydrophobicContact CG2-CE2 3.76Å
232	P	94	Very high	82.6	Confident	9 Å²	9	30.3 Å²	30.3	6%	0.058	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	133.4	-179	27.8	-30.2	0	0	0	110.3	Y213 A215 X228 X230 V234 S248 F249 I250	Y213-P232 WeakPolarHBondContact O-CA 3.45Å; A215-P232 HydrophobicContact CB-CB 4.19Å; A228-P232 HydrophobicContact CB-CB 3.77Å; A228-P232 HydrophobicContact CB-CG 3.8Å; A230-P232 WeakPolarHBondContact O-CD 3.3Å; P232-V234 HydrophobicContact CB-CG1 4.31Å; P232-S248 WeakPolarHBondContact CD-O 3.41Å; P232-F249 HydrophobicContact CG-CB 3.7Å; P232-F249 WeakPolarHBondContact O-CA 3.3Å; P232-I250 PolarHBondContact O-N 3.19Å
233	V	96.3	Very high	82.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	104.1	165.3	-171.6	0	0	0	0	106.3	F212 Y213 L214 A215 F216 I250 L261 L265	F212-V233 HydrophobicContact CB-CG2 3.95Å; F212-V233 HydrophobicContact CD1-CG2 4.21Å; F212-V233 HydrophobicContact CG-CG2 4.35Å; Y213-V233 PolarHBondContact O-N 3.25Å; L214-V233 HydrophobicContact CD2-CB 3.76Å; L214-V233 HydrophobicContact CD2-CG1 4.2Å; L214-V233 HydrophobicContact CD2-CG2 3.94Å; A215-V233 PolarHBondContact N-O 3.5Å; F216-V233 WeakPolarHBondContact CD1-O 3.41Å; F216-V233 HydrophobicContact CE1-CB 4.43Å; F216-V233 HydrophobicContact CE1-CG1 3.98Å; F216-V233 VanDerWaalsContact CE1-O 3.31Å; F216-V233 WeakPolarHBondContact CE1-O 3.44Å; F216-V233 HydrophobicContact CZ-CG1 4.22Å; V233-I250 CarbonylContact C-O 3.44Å; V233-I250 VanDerWaalsContact CA-O 3.27Å; V233-I250 WeakPolarHBondContact CA-O 3.31Å; V233-I250 HydrophobicContact CG1-CB 4.45Å; V233-I250 HydrophobicContact CG1-CG2 4.34Å; V233-I250 HydrophobicContact CG2-CB 4.34Å; V233-L261 HydrophobicContact CG1-CD1 4.08Å; V233-L261 HydrophobicContact CG1-CD2 4.2Å; V233-L265 HydrophobicContact CG2-CD1 4.21Å; V233-L265 HydrophobicContact CG2-CD2 3.96Å
234	V	94.8	Very high	83.4	Confident	3 Å²	3	31 Å²	31	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	160.4	-178	-53.9	0	0	0	0	110.7	A215 P232 V240 F249 I250 A251 A252	A215-V234 HydrophobicContact CB-CG1 4.28Å; P232-V234 HydrophobicContact CB-CG1 4.31Å; V234-V240 HydrophobicContact CB-CG2 3.97Å; V234-V240 HydrophobicContact CG1-CB 4.48Å; V234-V240 HydrophobicContact CG1-CG1 4.02Å; V234-V240 HydrophobicContact CG1-CG2 4.1Å; V234-V240 HydrophobicContact CG2-CB 4.15Å; V234-V240 HydrophobicContact CG2-CG1 4.41Å; V234-V240 HydrophobicContact CG2-CG2 3.95Å; V234-F249 HydrophobicContact CG2-CD2 3.65Å; V234-F249 HydrophobicContact CG2-CE2 3.98Å; V234-I250 PolarHBondContact N-O 3.33Å; V234-A251 HydrophobicContact CG2-CB 3.89Å; V234-A251 CarbonylContact O-C 3.52Å; V234-A251 WeakPolarHBondContact O-CA 3.21Å; V234-A252 PolarHBondContact O-N 3.48Å
235	F	94.2	Very high	84.5	Confident	7 Å²	7	31 Å²	31	3%	0.031	18%	0.177	C	C	.	.	S	Bend	trans	-75.7	-44.1	-177	-137.6	-178.7	0	0	0	112.3	R165 Y168 F216 V220 A252 D253 F337 L341	R165-F235 HydrophobicContact CB-CE1 4.11Å; Y168-F235 AromaticContact CD1-CE2 3.87Å; Y168-F235 HydrophobicContact CD1-CE2 3.87Å; Y168-F235 AromaticContact CD2-CE2 3.94Å; Y168-F235 HydrophobicContact CD2-CE2 3.94Å; Y168-F235 HydrophobicContact CD2-CZ 4.38Å; Y168-F235 HydrophobicContact CE1-CE2 4.34Å; Y168-F235 HydrophobicContact CE2-CE2 4.41Å; Y168-F235 AromaticContact CG-CE2 3.65Å; Y168-F235 HydrophobicContact CG-CE2 3.65Å; Y168-F235 AromaticContact CG-CZ 3.99Å; Y168-F235 HydrophobicContact CG-CZ 3.99Å; F216-F235 HydrophobicContact CD1-CB 4.11Å; F216-F235 HydrophobicContact CD1-CD2 4.07Å; F216-F235 HydrophobicContact CD1-CG 4.17Å; F216-F235 HydrophobicContact CE1-CD2 4.23Å; F216-F235 HydrophobicContact CG-CD2 4.37Å; F216-F235 HydrophobicContact CG-CG 4.43Å; V220-F235 HydrophobicContact CG2-CB 4.26Å; V220-F235 HydrophobicContact CG2-CD1 3.48Å; V220-F235 VanDerWaalsContact CG2-CD1 3.48Å; V220-F235 HydrophobicContact CG2-CE1 4.26Å; V220-F235 HydrophobicContact CG2-CG 4.27Å; F235-A252 HydrophobicContact CD2-CB 4.07Å; F235-D253 PolarHBondContact O-N 2.88Å; F235-F337 HydrophobicContact CB-CD1 4.3Å; F235-F337 HydrophobicContact CB-CE1 4.34Å; F235-F337 AromaticContact CD1-CD1 3.69Å; F235-F337 HydrophobicContact CD1-CD1 3.69Å; F235-F337 HydrophobicContact CD1-CE1 4.48Å; F235-F337 HydrophobicContact CD2-CD1 4.05Å; F235-F337 HydrophobicContact CD2-CE1 4.25Å; F235-F337 HydrophobicContact CE1-CB 4.34Å; F235-F337 HydrophobicContact CE1-CD1 4Å; F235-F337 HydrophobicContact CE2-CD1 4.39Å; F235-F337 AromaticContact CG-CD1 3.72Å; F235-F337 HydrophobicContact CG-CD1 3.72Å; F235-F337 HydrophobicContact CG-CE1 4.07Å; F235-F337 HydrophobicContact CZ-CD1 4.37Å; F235-F337 WeakPolarHBondContact O-CE1 3.46Å; F235-L341 HydrophobicContact CD2-CD1 3.58Å; F235-L341 HydrophobicContact CE2-CD1 3.56Å
236	K	95	Very high	85.5	Confident	41 Å²	41	39 Å²	39	18%	0.178	21%	0.21	C	C	.	.			trans	-131.5	120.4	-173.2	178.9	160.8	-174.7	58.4	0	112.1	V220 S238 H239 D253 I334 F337	V220-K236 HydrophobicContact CG1-CB 3.73Å; V220-K236 HydrophobicContact CG1-CD 3.8Å; V220-K236 HydrophobicContact CG1-CG 4.38Å; K236-S238 WeakPolarHBondContact CE-OG 3.31Å; K236-S238 PolarHBondContact NZ-OG 2.85Å; K236-H239 HydrophobicContact CG-CB 4.47Å; K236-D253 WeakPolarHBondContact CA-OD1 3.44Å; K236-D253 IonicContact NZ-OD2 2.69Å; K236-I334 HydrophobicContact CD-CD1 3.75Å; K236-F337 HydrophobicContact CB-CE1 3.96Å; K236-F337 HydrophobicContact CB-CZ 4.1Å; K236-F337 HydrophobicContact CD-CE2 4.42Å; K236-F337 HydrophobicContact CD-CZ 4.13Å; K236-F337 HydrophobicContact CG-CZ 4.35Å
237	R	94.9	Very high	87.2	Confident	63 Å²	63	39 Å²	39	24%	0.238	22%	0.217	C	C	.	.	H	α-helix	trans	-56.7	-53.5	-178.5	175	169.3	-71.4	-73.4	-8.8	112.9	H239 V240 E241 F249 A251 D253 D254	R237-H239 PolarHBondContact O-N 3.23Å; R237-H239 VanDerWaalsContact O-N 3.08Å; R237-V240 PolarHBondContact O-N 3.4Å; R237-E241 HydrophobicContact CG-CB 4.13Å; R237-E241 IonicContact NH1-OE1 3.32Å; R237-E241 PolarHBondContact NH1-OE1 3.23Å; R237-E241 VanDerWaalsContact NH1-OE1 3.09Å; R237-E241 VanDerWaalsContact O-CB 3.3Å; R237-E241 WeakPolarHBondContact O-CB 3.37Å; R237-E241 PolarHBondContact O-N 3.5Å; R237-F249 HydrophobicContact CG-CE2 4.3Å; R237-F249 HydrophobicContact CG-CZ 4.37Å; R237-A251 HydrophobicContact CB-CB 3.63Å; R237-D253 PolarHBondContact N-OD1 3.03Å; R237-D253 PolarHBondContact N-OD2 3.05Å; R237-D254 IonicContact CZ-OD1 2.86Å; R237-D254 IonicContact CZ-OD2 2.74Å; R237-D254 VanDerWaalsContact CZ-OD2 3.26Å; R237-D254 IonicContact NE-OD1 3.71Å; R237-D254 PolarHBondContact NE-OD1 2.92Å; R237-D254 IonicContact NE-OD2 3.54Å; R237-D254 PolarHBondContact NE-OD2 2.84Å; R237-D254 IonicContact NH2-OD2 3.42Å; R237-D254 PolarHBondContact NH2-OD2 3.42Å
238	S	94.8	Very high	88.9	Confident	59 Å²	59	37 Å²	37	41%	0.413	21%	0.208	S	C	.	.	H	α-helix	trans	-60	-26.8	-170.3	61.6	0	0	0	0	114	K236 P242	K236-S238 WeakPolarHBondContact CE-OG 3.31Å; K236-S238 PolarHBondContact NZ-OG 2.85Å; S238-P242 WeakPolarHBondContact O-CD 3.33Å
239	H	91.7	Very high	90.9	Very high	12 Å²	12	35.1 Å²	35.1	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-81.6	-18.1	-178.6	-69.3	5.8	0	0	0	112.7	C221 K236 R237 E332	C221-H239 PolarHBondContact O-CD2 2.96Å; C221-H239 VanDerWaalsContact O-CD2 3.24Å; K236-H239 HydrophobicContact CG-CB 4.47Å; R237-H239 PolarHBondContact O-N 3.23Å; R237-H239 VanDerWaalsContact O-N 3.08Å; H239-E332 PolarHBondContact NE2-O 3.05Å
240	V	90.5	Very high	92.8	Very high	8 Å²	8	34 Å²	34	5%	0.048	18%	0.181	C	C	.	.	H	α-helix	trans	-115.8	-32.2	-173.1	-179	0	0	0	0	112.4	V225 V234 R237 P242 L243 L244 F249	V225-V240 HydrophobicContact CG2-CB 4.36Å; V225-V240 HydrophobicContact CG2-CG1 4.14Å; V225-V240 HydrophobicContact CG2-CG2 3.75Å; V234-V240 HydrophobicContact CB-CG2 3.97Å; V234-V240 HydrophobicContact CG1-CB 4.48Å; V234-V240 HydrophobicContact CG1-CG1 4.02Å; V234-V240 HydrophobicContact CG1-CG2 4.1Å; V234-V240 HydrophobicContact CG2-CB 4.15Å; V234-V240 HydrophobicContact CG2-CG1 4.41Å; V234-V240 HydrophobicContact CG2-CG2 3.95Å; R237-V240 PolarHBondContact O-N 3.4Å; V240-P242 VanDerWaalsContact C-CD 3.42Å; V240-P242 VanDerWaalsContact C-N 3.32Å; V240-L243 WeakPolarHBondContact O-CA 3.13Å; V240-L243 WeakPolarHBondContact O-CB 3.37Å; V240-L243 PolarHBondContact O-N 3.43Å; V240-L244 HydrophobicContact CG1-CB 4.35Å; V240-L244 HydrophobicContact CG1-CD1 3.37Å; V240-L244 HydrophobicContact CG1-CG 3.7Å; V240-L244 PolarHBondContact O-N 3.09Å; V240-L244 VanDerWaalsContact O-N 3.13Å; V240-F249 HydrophobicContact CG1-CD1 4.4Å; V240-F249 HydrophobicContact CG1-CE1 4.39Å; V240-F249 HydrophobicContact CG1-CZ 4.49Å
241	E	93.3	Very high	93.7	Very high	94 Å²	94	33.4 Å²	33.4	44%	0.439	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-38.1	-177.7	-174.2	165.5	-112.3	0	0	114.4	R237 L243 F249	R237-E241 HydrophobicContact CG-CB 4.13Å; R237-E241 IonicContact NH1-OE1 3.32Å; R237-E241 PolarHBondContact NH1-OE1 3.23Å; R237-E241 VanDerWaalsContact NH1-OE1 3.09Å; R237-E241 VanDerWaalsContact O-CB 3.3Å; R237-E241 WeakPolarHBondContact O-CB 3.37Å; R237-E241 PolarHBondContact O-N 3.5Å; E241-L243 PolarHBondContact O-N 3.13Å; E241-F249 HydrophobicContact CB-CZ 3.92Å; E241-F249 HydrophobicContact CG-CZ 4.42Å
242	P	92.9	Very high	94	Very high	71 Å²	71	33.3 Å²	33.3	46%	0.461	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.5	175.3	-20.6	34.8	0	0	0	114.6	R116 S238 V240	R116-P242 VanDerWaalsContact CZ-CB 3.47Å; R116-P242 VanDerWaalsContact NH1-CB 3.26Å; S238-P242 WeakPolarHBondContact O-CD 3.33Å; V240-P242 VanDerWaalsContact C-CD 3.42Å; V240-P242 VanDerWaalsContact C-N 3.32Å
243	L	90.7	Very high	94.1	Very high	39 Å²	39	34.3 Å²	34.3	20%	0.204	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-31.2	-174.9	-58.5	-179	0	0	0	113	R116 V127 D223 V225 V240 E241	R116-L243 VanDerWaalsContact CD-CD2 3.41Å; R116-L243 HydrophobicContact CG-CD2 3.85Å; V127-L243 WeakPolarHBondContact CG2-O 3.16Å; D223-L243 HydrophobicContact CB-CD1 4.28Å; D223-L243 WeakPolarHBondContact O-CD1 3.17Å; V225-L243 HydrophobicContact CB-CD1 4.42Å; V225-L243 HydrophobicContact CG2-CD1 3.76Å; V240-L243 WeakPolarHBondContact O-CA 3.13Å; V240-L243 WeakPolarHBondContact O-CB 3.37Å; V240-L243 PolarHBondContact O-N 3.43Å; E241-L243 PolarHBondContact O-N 3.13Å
244	L	91	Very high	94.2	Very high	37 Å²	37	38.1 Å²	38.1	19%	0.194	20%	0.202	C	C	.	.	S	Bend	trans	-114.2	150.7	-172.6	-61.1	-172.6	0	0	0	112	V127 V240 S248 F249	V127-L244 HydrophobicContact CG1-CD2 4.29Å; V240-L244 HydrophobicContact CG1-CB 4.35Å; V240-L244 HydrophobicContact CG1-CD1 3.37Å; V240-L244 HydrophobicContact CG1-CG 3.7Å; V240-L244 PolarHBondContact O-N 3.09Å; V240-L244 VanDerWaalsContact O-N 3.13Å; L244-S248 WeakPolarHBondContact CB-OG 3.3Å; L244-F249 HydrophobicContact CB-CD1 3.82Å; L244-F249 HydrophobicContact CB-CE1 4.06Å; L244-F249 HydrophobicContact CD1-CB 4.28Å; L244-F249 HydrophobicContact CD1-CD1 3.96Å; L244-F249 HydrophobicContact CD1-CG 4.34Å; L244-F249 HydrophobicContact CG-CD1 4.5Å
245	P	92.8	Very high	94.3	Very high	11 Å²	11	39.2 Å²	39.2	7%	0.071	21%	0.206	C	C	.	.			trans	-62.9	146.9	179	-22	36.9	0	0	0	111.3	V127 G247 S248 W281 Y285	V127-P245 HydrophobicContact CB-CG 4.42Å; V127-P245 HydrophobicContact CG1-CG 4.48Å; V127-P245 HydrophobicContact CG2-CG 4.07Å; P245-G247 PolarHBondContact O-N 2.85Å; P245-S248 WeakPolarHBondContact CD-OG 3.12Å; P245-S248 WeakPolarHBondContact O-CB 3.25Å; P245-S248 PolarHBondContact O-N 3.38Å; P245-S248 PolarHBondContact O-OG 3.31Å; P245-W281 HydrophobicContact CB-CB 3.92Å; P245-W281 HydrophobicContact CB-CD2 4.49Å; P245-W281 HydrophobicContact CB-CE3 4.4Å; P245-W281 HydrophobicContact CB-CG 4.34Å; P245-W281 HydrophobicContact CG-CB 4.49Å; P245-W281 HydrophobicContact CG-CD2 4.24Å; P245-W281 HydrophobicContact CG-CE3 3.75Å; P245-W281 HydrophobicContact CG-CZ3 4.24Å; P245-Y285 HydrophobicContact CB-CD2 3.95Å; P245-Y285 HydrophobicContact CB-CE2 3.93Å; P245-Y285 HydrophobicContact CB-CG 4.43Å; P245-Y285 HydrophobicContact CG-CD1 4.04Å; P245-Y285 HydrophobicContact CG-CD2 3.75Å; P245-Y285 HydrophobicContact CG-CE1 4.37Å; P245-Y285 HydrophobicContact CG-CE2 4.12Å; P245-Y285 HydrophobicContact CG-CG 3.74Å
246	K	93.5	Very high	94.3	Very high	198 Å²	198	44.9 Å²	44.9	86%	0.861	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	134.7	176	-171.7	178.4	-177.6	177.7	0	110.8	S248	K246-S248 VanDerWaalsContact C-N 3.26Å; K246-S248 PolarHBondContact O-N 3.13Å
247	G	93.3	Very high	94.4	Very high	36 Å²	36	43 Å²	43	37%	0.371	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	12.3	-179.7	0	0	0	0	0	114.7	P245 Y278	P245-G247 PolarHBondContact O-N 2.85Å; G247-Y278 WeakPolarHBondContact O-CA 3.32Å; G247-Y278 VanDerWaalsContact O-CD1 3.23Å; G247-Y278 WeakPolarHBondContact O-CD1 2.81Å
248	S	93.5	Very high	94.5	Very high	3 Å²	3	40 Å²	40	2%	0.021	21%	0.211	C	C	.	.	S	Bend	trans	-89.4	-10.8	176.8	65.5	0	0	0	0	114.6	P232 L244 P245 K246 W281	P232-S248 WeakPolarHBondContact CD-O 3.41Å; L244-S248 WeakPolarHBondContact CB-OG 3.3Å; P245-S248 WeakPolarHBondContact CD-OG 3.12Å; P245-S248 WeakPolarHBondContact O-CB 3.25Å; P245-S248 PolarHBondContact O-N 3.38Å; P245-S248 PolarHBondContact O-OG 3.31Å; K246-S248 VanDerWaalsContact C-N 3.26Å; K246-S248 PolarHBondContact O-N 3.13Å; S248-W281 VanDerWaalsContact CA-CD1 3.49Å; S248-W281 VanDerWaalsContact CB-CE2 3.48Å
249	F	95.2	Very high	94.6	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.022	21%	0.21	C	C	.	.			trans	-145.3	162.3	-175	68.9	-90.6	0	0	0	111.5	P232 V234 R237 V240 E241 L244 A251	P232-F249 HydrophobicContact CG-CB 3.7Å; P232-F249 WeakPolarHBondContact O-CA 3.3Å; V234-F249 HydrophobicContact CG2-CD2 3.65Å; V234-F249 HydrophobicContact CG2-CE2 3.98Å; R237-F249 HydrophobicContact CG-CE2 4.3Å; R237-F249 HydrophobicContact CG-CZ 4.37Å; V240-F249 HydrophobicContact CG1-CD1 4.4Å; V240-F249 HydrophobicContact CG1-CE1 4.39Å; V240-F249 HydrophobicContact CG1-CZ 4.49Å; E241-F249 HydrophobicContact CB-CZ 3.92Å; E241-F249 HydrophobicContact CG-CZ 4.42Å; L244-F249 HydrophobicContact CB-CD1 3.82Å; L244-F249 HydrophobicContact CB-CE1 4.06Å; L244-F249 HydrophobicContact CD1-CB 4.28Å; L244-F249 HydrophobicContact CD1-CD1 3.96Å; L244-F249 HydrophobicContact CD1-CG 4.34Å; L244-F249 HydrophobicContact CG-CD1 4.5Å; F249-A251 HydrophobicContact CD2-CB 4.44Å; F249-A251 HydrophobicContact CE2-CB 4.18Å
250	I	97.2	Very high	94.9	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.2	171.5	-60.1	168.8	0	0	0	106.8	F212 V231 P232 V233 V234 F255 L261 Y264 L265 L268 Y278	F212-I250 HydrophobicContact CD1-CD1 4.08Å; F212-I250 HydrophobicContact CE1-CD1 3.76Å; V231-I250 HydrophobicContact CG1-CD1 4.17Å; V231-I250 HydrophobicContact CG1-CG1 4.29Å; P232-I250 PolarHBondContact O-N 3.19Å; V233-I250 CarbonylContact C-O 3.44Å; V233-I250 VanDerWaalsContact CA-O 3.27Å; V233-I250 WeakPolarHBondContact CA-O 3.31Å; V233-I250 HydrophobicContact CG1-CB 4.45Å; V233-I250 HydrophobicContact CG1-CG2 4.34Å; V233-I250 HydrophobicContact CG2-CB 4.34Å; V234-I250 PolarHBondContact N-O 3.33Å; I250-F255 HydrophobicContact CG2-CE2 3.67Å; I250-F255 HydrophobicContact CG2-CZ 3.97Å; I250-L261 HydrophobicContact CG2-CD1 4.1Å; I250-Y264 HydrophobicContact CD1-CD1 4.43Å; I250-Y264 HydrophobicContact CD1-CE1 4.04Å; I250-Y264 HydrophobicContact CG1-CE1 4.33Å; I250-Y264 HydrophobicContact CG2-CD1 4.38Å; I250-Y264 HydrophobicContact CG2-CE1 4.35Å; I250-L265 HydrophobicContact CD1-CD2 3.62Å; I250-L268 HydrophobicContact CD1-CD1 3.56Å; I250-Y278 HydrophobicContact CD1-CE1 4.2Å; I250-Y278 HydrophobicContact CD1-CE2 4.29Å; I250-Y278 HydrophobicContact CG1-CD1 4.24Å; I250-Y278 HydrophobicContact CG1-CE1 3.47Å; I250-Y278 VanDerWaalsContact CG1-CE1 3.47Å; I250-Y278 HydrophobicContact CG1-CE2 4.38Å
251	A	97.1	Very high	95.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.4	176.1	0	0	0	0	0	110.6	V234 R237 F249 D253 D254 F255	V234-A251 HydrophobicContact CG2-CB 3.89Å; V234-A251 CarbonylContact O-C 3.52Å; V234-A251 WeakPolarHBondContact O-CA 3.21Å; R237-A251 HydrophobicContact CB-CB 3.63Å; F249-A251 HydrophobicContact CD2-CB 4.44Å; F249-A251 HydrophobicContact CE2-CB 4.18Å; A251-D253 WeakPolarHBondContact CB-OD1 3.38Å; A251-D253 PolarHBondContact O-N 3.23Å; A251-D254 WeakPolarHBondContact O-CB 3.46Å; A251-D254 PolarHBondContact O-N 3.09Å; A251-F255 VanDerWaalsContact O-CD2 3.26Å; A251-F255 WeakPolarHBondContact O-CD2 3.31Å; A251-F255 WeakPolarHBondContact O-CE2 3.42Å
252	A	97.5	Very high	95.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-64.4	-27.2	-178.2	0	0	0	0	0	112.7	Y168 F216 V234 F235 D254 F255 L261 L341	Y168-A252 HydrophobicContact CE1-CB 4.32Å; F216-A252 HydrophobicContact CE1-CB 4.15Å; F216-A252 HydrophobicContact CZ-CB 4.37Å; V234-A252 PolarHBondContact O-N 3.48Å; F235-A252 HydrophobicContact CD2-CB 4.07Å; A252-D254 VanDerWaalsContact C-N 3.27Å; A252-D254 PolarHBondContact O-N 3.13Å; A252-F255 PolarHBondContact O-N 3.46Å; A252-L261 HydrophobicContact CB-CD2 3.95Å; A252-L341 HydrophobicContact CB-CD1 4.02Å
253	D	96.7	Very high	95.8	Very high	30 Å²	30	40.1 Å²	40.1	16%	0.16	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-77.7	-6.9	178.6	69.6	-31.4	0	0	0	115	F235 K236 R237 A251 F255 F337 L341	F235-D253 PolarHBondContact O-N 2.88Å; K236-D253 WeakPolarHBondContact CA-OD1 3.44Å; K236-D253 IonicContact NZ-OD2 2.69Å; R237-D253 PolarHBondContact N-OD1 3.03Å; R237-D253 PolarHBondContact N-OD2 3.05Å; A251-D253 WeakPolarHBondContact CB-OD1 3.38Å; A251-D253 PolarHBondContact O-N 3.23Å; D253-F255 PolarHBondContact O-N 3.44Å; D253-F337 HydrophobicContact CB-CE1 4.31Å; D253-F337 HydrophobicContact CB-CZ 3.88Å; D253-L341 HydrophobicContact CB-CD1 4.4Å; D253-L341 HydrophobicContact CB-CD2 3.73Å
254	D	97.2	Very high	96.1	Very high	81 Å²	81	41.8 Å²	41.8	43%	0.433	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-73.2	-12.8	169.4	-63.8	-29.7	0	0	0	112.5	R237 A251 A252	R237-D254 IonicContact CZ-OD1 2.86Å; R237-D254 IonicContact CZ-OD2 2.74Å; R237-D254 VanDerWaalsContact CZ-OD2 3.26Å; R237-D254 IonicContact NE-OD1 3.71Å; R237-D254 PolarHBondContact NE-OD1 2.92Å; R237-D254 IonicContact NE-OD2 3.54Å; R237-D254 PolarHBondContact NE-OD2 2.84Å; R237-D254 IonicContact NH2-OD2 3.42Å; R237-D254 PolarHBondContact NH2-OD2 3.42Å; A251-D254 WeakPolarHBondContact O-CB 3.46Å; A251-D254 PolarHBondContact O-N 3.09Å; A252-D254 VanDerWaalsContact C-N 3.27Å; A252-D254 PolarHBondContact O-N 3.13Å
255	F	97.2	Very high	96.5	Very high	26 Å²	26	40 Å²	40	11%	0.114	20%	0.195	C	C	.	.	S	Bend	trans	-108.4	157.4	-175.7	-56.4	-88.2	0	0	0	111.4	I250 A251 A252 D253 G257 E260 L261 Y264	I250-F255 HydrophobicContact CG2-CE2 3.67Å; I250-F255 HydrophobicContact CG2-CZ 3.97Å; A251-F255 VanDerWaalsContact O-CD2 3.26Å; A251-F255 WeakPolarHBondContact O-CD2 3.31Å; A251-F255 WeakPolarHBondContact O-CE2 3.42Å; A252-F255 PolarHBondContact O-N 3.46Å; D253-F255 PolarHBondContact O-N 3.44Å; F255-G257 PolarHBondContact O-N 3.08Å; F255-E260 WeakPolarHBondContact CA-OE2 3.41Å; F255-E260 HydrophobicContact CB-CB 4.3Å; F255-E260 HydrophobicContact CD1-CB 4.41Å; F255-E260 HydrophobicContact CD1-CG 4.01Å; F255-L261 HydrophobicContact CB-CB 4.27Å; F255-L261 HydrophobicContact CD2-CB 4.07Å; F255-L261 HydrophobicContact CD2-CD1 3.69Å; F255-L261 HydrophobicContact CD2-CG 4.43Å; F255-L261 HydrophobicContact CE2-CD1 3.49Å; F255-L261 VanDerWaalsContact CE2-CD1 3.49Å; F255-L261 HydrophobicContact CG-CB 4.02Å; F255-L261 HydrophobicContact CG-CD1 4.38Å; F255-L261 HydrophobicContact CZ-CD1 4.03Å; F255-Y264 AromaticContact CE1-CD1 3.79Å; F255-Y264 HydrophobicContact CE1-CD1 3.79Å; F255-Y264 HydrophobicContact CE1-CD2 4.38Å; F255-Y264 AromaticContact CE1-CG 3.64Å; F255-Y264 HydrophobicContact CE1-CG 3.64Å; F255-Y264 AromaticContact CZ-CD1 3.4Å; F255-Y264 HydrophobicContact CZ-CD1 3.4Å; F255-Y264 VanDerWaalsContact CZ-CD1 3.4Å; F255-Y264 HydrophobicContact CZ-CE1 4.02Å; F255-Y264 AromaticContact CZ-CG 3.79Å; F255-Y264 HydrophobicContact CZ-CG 3.79Å
256	K	95.1	Very high	96.8	Very high	126 Å²	126	42.3 Å²	42.3	55%	0.548	21%	0.206	S	C	.	.	S	Bend	trans	-66.6	-19.6	174	-68.1	178.5	-178.8	179.1	0	112.9	E260 K344 D345	K256-E260 WeakPolarHBondContact CB-OE2 3.46Å; K256-E260 WeakPolarHBondContact CG-OE2 3.33Å; K256-E260 PolarHBondContact N-OE2 3.48Å; K256-K344 CarbonylContact O-C 3.58Å; K256-K344 VanDerWaalsContact O-C 3.25Å; K256-K344 WeakPolarHBondContact O-CB 3.48Å; K256-D345 PolarHBondContact O-N 2.98Å
257	G	95.6	Very high	97	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	164.4	-172	172	0	0	0	0	0	112.4	F255 K259 E260 L261 L341 D345	F255-G257 PolarHBondContact O-N 3.08Å; G257-K259 PolarHBondContact O-N 3.09Å; G257-E260 PolarHBondContact O-N 3.37Å; G257-L261 PolarHBondContact O-N 3.19Å; G257-L261 VanDerWaalsContact O-N 3.14Å; G257-L341 WeakPolarHBondContact CA-O 3.28Å; G257-D345 VanDerWaalsContact CA-OD1 3.23Å; G257-D345 WeakPolarHBondContact CA-OD1 3.25Å; G257-D345 PolarHBondContact N-OD1 3.08Å
258	P	97.2	Very high	97.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.1	-32.1	-174.8	19.8	-33.7	0	0	0	114	Y168 K171 L172 Y175 A262 M342 D345	Y168-P258 HydrophobicContact CE1-CB 4.41Å; Y168-P258 HydrophobicContact CE2-CB 4.22Å; Y168-P258 HydrophobicContact CE2-CG 4.33Å; K171-P258 HydrophobicContact CB-CG 4.19Å; K171-P258 HydrophobicContact CG-CB 4.19Å; K171-P258 HydrophobicContact CG-CG 3.49Å; K171-P258 VanDerWaalsContact CG-CG 3.49Å; L172-P258 HydrophobicContact CB-CB 4.3Å; L172-P258 HydrophobicContact CD1-CB 4.13Å; L172-P258 WeakPolarHBondContact CD1-O 3.31Å; Y175-P258 HydrophobicContact CD2-CB 4.31Å; Y175-P258 HydrophobicContact CE2-CB 4.35Å; Y175-P258 HydrophobicContact CE2-CG 4.27Å; P258-A262 WeakPolarHBondContact O-CB 3.38Å; P258-A262 PolarHBondContact O-N 2.93Å; P258-M342 HydrophobicContact CG-CG 4.15Å; P258-D345 WeakPolarHBondContact CD-OD2 2.86Å; P258-D345 WeakPolarHBondContact CG-OD2 3.36Å
259	K	97.4	Very high	97.3	Very high	92 Å²	92	37.9 Å²	37.9	40%	0.4	18%	0.178	S	C	.	.	H	α-helix	trans	-65.8	-49.6	178.3	-172.1	-173.2	-179.6	-62	0	111.8	Y175 G257 L261 A262 D263	Y175-K259 HydrophobicContact CD1-CB 4.06Å; Y175-K259 HydrophobicContact CD1-CD 4.32Å; Y175-K259 HydrophobicContact CD1-CG 3.74Å; Y175-K259 HydrophobicContact CD2-CB 3.97Å; Y175-K259 HydrophobicContact CD2-CG 4.48Å; Y175-K259 HydrophobicContact CE1-CB 3.99Å; Y175-K259 HydrophobicContact CE1-CD 4.13Å; Y175-K259 HydrophobicContact CE1-CG 3.9Å; Y175-K259 HydrophobicContact CE2-CB 3.9Å; Y175-K259 HydrophobicContact CG-CB 4.04Å; Y175-K259 HydrophobicContact CG-CG 4.05Å; G257-K259 PolarHBondContact O-N 3.09Å; K259-L261 VanDerWaalsContact C-N 3.33Å; K259-L261 PolarHBondContact O-N 3.09Å; K259-A262 WeakPolarHBondContact O-CB 3.13Å; K259-A262 PolarHBondContact O-N 3.32Å; K259-A262 VanDerWaalsContact O-N 3.15Å; K259-D263 IonicContact NZ-OD1 2.93Å; K259-D263 IonicContact NZ-OD2 2.74Å; K259-D263 PolarHBondContact NZ-OD2 3.22Å; K259-D263 PolarHBondContact O-N 3.22Å
260	E	97.9	Very high	97.3	Very high	76 Å²	76	42 Å²	42	36%	0.355	21%	0.213	S	C	.	.	H	α-helix	trans	-67.2	-37	-178.2	-168	-174.8	-149.3	0	0	111.3	F255 K256 G257 D263 Y264	F255-E260 WeakPolarHBondContact CA-OE2 3.41Å; F255-E260 HydrophobicContact CB-CB 4.3Å; F255-E260 HydrophobicContact CD1-CB 4.41Å; F255-E260 HydrophobicContact CD1-CG 4.01Å; K256-E260 WeakPolarHBondContact CB-OE2 3.46Å; K256-E260 WeakPolarHBondContact CG-OE2 3.33Å; K256-E260 PolarHBondContact N-OE2 3.48Å; G257-E260 PolarHBondContact O-N 3.37Å; E260-D263 PolarHBondContact O-N 3Å; E260-Y264 PolarHBondContact O-N 2.7Å
261	L	98.3	Very high	97.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-46.8	170.1	175.3	63.6	0	0	0	111	Y168 L172 V233 I250 A252 F255 G257 K259 D263 Y264 L265	Y168-L261 HydrophobicContact CE1-CD2 3.93Å; Y168-L261 WeakPolarHBondContact OH-CD2 3.44Å; L172-L261 HydrophobicContact CD1-CD2 4.29Å; L172-L261 HydrophobicContact CD1-CG 4.44Å; L172-L261 HydrophobicContact CD2-CD2 4.46Å; V233-L261 HydrophobicContact CG1-CD1 4.08Å; V233-L261 HydrophobicContact CG1-CD2 4.2Å; I250-L261 HydrophobicContact CG2-CD1 4.1Å; A252-L261 HydrophobicContact CB-CD2 3.95Å; F255-L261 HydrophobicContact CB-CB 4.27Å; F255-L261 HydrophobicContact CD2-CB 4.07Å; F255-L261 HydrophobicContact CD2-CD1 3.69Å; F255-L261 HydrophobicContact CD2-CG 4.43Å; F255-L261 HydrophobicContact CE2-CD1 3.49Å; F255-L261 VanDerWaalsContact CE2-CD1 3.49Å; F255-L261 HydrophobicContact CG-CB 4.02Å; F255-L261 HydrophobicContact CG-CD1 4.38Å; F255-L261 HydrophobicContact CZ-CD1 4.03Å; G257-L261 PolarHBondContact O-N 3.19Å; G257-L261 VanDerWaalsContact O-N 3.14Å; K259-L261 VanDerWaalsContact C-N 3.33Å; K259-L261 PolarHBondContact O-N 3.09Å; L261-D263 PolarHBondContact O-N 2.98Å; L261-Y264 PolarHBondContact O-N 3.03Å; L261-L265 HydrophobicContact CD1-CD1 4.1Å; L261-L265 HydrophobicContact CD1-CD2 4.33Å; L261-L265 HydrophobicContact CD1-CG 3.99Å; L261-L265 HydrophobicContact CG-CD1 4.11Å; L261-L265 HydrophobicContact CG-CG 4.33Å; L261-L265 WeakPolarHBondContact O-CG 3.34Å; L261-L265 PolarHBondContact O-N 3.18Å
262	A	98.4	Very high	97.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-44.7	178.1	0	0	0	0	0	112.5	L172 Y175 M176 P258 K259 Y264 L265 N266	L172-A262 HydrophobicContact CD1-CB 3.85Å; Y175-A262 VanDerWaalsContact CB-CB 3.49Å; M176-A262 HydrophobicContact CB-CB 4.01Å; M176-A262 HydrophobicContact CG-CB 3.8Å; M176-A262 HydrophobicContact SD-CB 3.82Å; P258-A262 WeakPolarHBondContact O-CB 3.38Å; P258-A262 PolarHBondContact O-N 2.93Å; K259-A262 WeakPolarHBondContact O-CB 3.13Å; K259-A262 PolarHBondContact O-N 3.32Å; K259-A262 VanDerWaalsContact O-N 3.15Å; A262-Y264 VanDerWaalsContact C-N 3.28Å; A262-Y264 PolarHBondContact O-N 3.14Å; A262-L265 PolarHBondContact O-N 2.84Å; A262-N266 WeakPolarHBondContact O-CB 3.47Å; A262-N266 VanDerWaalsContact O-CG 3.3Å; A262-N266 PolarHBondContact O-N 3.47Å; A262-N266 PolarHBondContact O-ND2 3.24Å
263	D	98.4	Very high	97.2	Very high	79 Å²	79	49.5 Å²	49.5	42%	0.422	25%	0.251	S	S	.	.	H	α-helix	trans	-58	-43.1	176.1	-68.8	-26.9	0	0	0	110.6	K259 E260 L261 N266 Y267	K259-D263 IonicContact NZ-OD1 2.93Å; K259-D263 IonicContact NZ-OD2 2.74Å; K259-D263 PolarHBondContact NZ-OD2 3.22Å; K259-D263 PolarHBondContact O-N 3.22Å; E260-D263 PolarHBondContact O-N 3Å; L261-D263 PolarHBondContact O-N 2.98Å; D263-N266 PolarHBondContact O-N 3Å; D263-Y267 WeakPolarHBondContact O-CB 3.25Å; D263-Y267 PolarHBondContact O-N 3.26Å
264	Y	98.6	Very high	97.2	Very high	74 Å²	74	48.9 Å²	48.9	29%	0.29	25%	0.25	S	S	.	.	H	α-helix	trans	-66.7	-44.7	177.3	-173.2	-112.1	0	0	0	113.5	I250 F255 E260 L261 A262 N266 Y267 L268 Y278	I250-Y264 HydrophobicContact CD1-CD1 4.43Å; I250-Y264 HydrophobicContact CD1-CE1 4.04Å; I250-Y264 HydrophobicContact CG1-CE1 4.33Å; I250-Y264 HydrophobicContact CG2-CD1 4.38Å; I250-Y264 HydrophobicContact CG2-CE1 4.35Å; F255-Y264 AromaticContact CE1-CD1 3.79Å; F255-Y264 HydrophobicContact CE1-CD1 3.79Å; F255-Y264 HydrophobicContact CE1-CD2 4.38Å; F255-Y264 AromaticContact CE1-CG 3.64Å; F255-Y264 HydrophobicContact CE1-CG 3.64Å; F255-Y264 AromaticContact CZ-CD1 3.4Å; F255-Y264 HydrophobicContact CZ-CD1 3.4Å; F255-Y264 VanDerWaalsContact CZ-CD1 3.4Å; F255-Y264 HydrophobicContact CZ-CE1 4.02Å; F255-Y264 AromaticContact CZ-CG 3.79Å; F255-Y264 HydrophobicContact CZ-CG 3.79Å; E260-Y264 PolarHBondContact O-N 2.7Å; L261-Y264 PolarHBondContact O-N 3.03Å; A262-Y264 VanDerWaalsContact C-N 3.28Å; A262-Y264 PolarHBondContact O-N 3.14Å; Y264-N266 VanDerWaalsContact C-N 3.33Å; Y264-N266 PolarHBondContact O-N 2.57Å; Y264-Y267 HydrophobicContact CD2-CD1 4.18Å; Y264-Y267 HydrophobicContact CE2-CD1 4.15Å; Y264-Y267 HydrophobicContact CE2-CE1 4.4Å; Y264-Y267 WeakPolarHBondContact O-CB 3.45Å; Y264-Y267 PolarHBondContact O-N 2.78Å; Y264-L268 HydrophobicContact CD1-CD1 3.95Å; Y264-L268 HydrophobicContact CD1-CG 4.44Å; Y264-L268 HydrophobicContact CE1-CD1 3.42Å; Y264-L268 VanDerWaalsContact CE1-CD1 3.42Å; Y264-L268 HydrophobicContact CE1-CG 4.07Å; Y264-L268 HydrophobicContact CE2-CG 4.37Å; Y264-L268 WeakPolarHBondContact O-CG 3.36Å; Y264-L268 PolarHBondContact O-N 3.48Å; Y264-Y278 PolarHBondContact OH-OH 3.46Å
265	L	98.4	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.3	-37.7	177.4	-65.2	-176.6	0	0	0	111.6	M176 F212 V233 I250 L261 A262 L268 S269	M176-L265 HydrophobicContact CE-CB 3.9Å; M176-L265 HydrophobicContact CE-CD1 4.01Å; M176-L265 HydrophobicContact SD-CB 4.11Å; M176-L265 HydrophobicContact SD-CD1 3.81Å; F212-L265 HydrophobicContact CD1-CD2 3.79Å; F212-L265 HydrophobicContact CD2-CB 4.23Å; F212-L265 HydrophobicContact CD2-CD2 4.05Å; F212-L265 HydrophobicContact CE1-CD2 3.85Å; F212-L265 HydrophobicContact CE2-CB 4.1Å; F212-L265 HydrophobicContact CE2-CD2 4.11Å; F212-L265 WeakPolarHBondContact CE2-O 3.16Å; F212-L265 HydrophobicContact CG-CD2 3.91Å; F212-L265 HydrophobicContact CZ-CD2 4.02Å; V233-L265 HydrophobicContact CG2-CD1 4.21Å; V233-L265 HydrophobicContact CG2-CD2 3.96Å; I250-L265 HydrophobicContact CD1-CD2 3.62Å; L261-L265 HydrophobicContact CD1-CD1 4.1Å; L261-L265 HydrophobicContact CD1-CD2 4.33Å; L261-L265 HydrophobicContact CD1-CG 3.99Å; L261-L265 HydrophobicContact CG-CD1 4.11Å; L261-L265 HydrophobicContact CG-CG 4.33Å; L261-L265 WeakPolarHBondContact O-CG 3.34Å; L261-L265 PolarHBondContact O-N 3.18Å; A262-L265 PolarHBondContact O-N 2.84Å; L265-L268 PolarHBondContact O-N 3.39Å; L265-S269 VanDerWaalsContact O-CB 3.26Å; L265-S269 WeakPolarHBondContact O-CB 3.24Å; L265-S269 PolarHBondContact O-N 2.9Å
266	N	98.1	Very high	96.9	Very high	59 Å²	59	44 Å²	44	32%	0.316	23%	0.225	S	C	.	.	H	α-helix	trans	-66.4	-42.8	173.8	-75.4	-31.3	0	0	0	111.7	A262 D263 Y264 S269 A270	A262-N266 WeakPolarHBondContact O-CB 3.47Å; A262-N266 VanDerWaalsContact O-CG 3.3Å; A262-N266 PolarHBondContact O-N 3.47Å; A262-N266 PolarHBondContact O-ND2 3.24Å; D263-N266 PolarHBondContact O-N 3Å; Y264-N266 VanDerWaalsContact C-N 3.33Å; Y264-N266 PolarHBondContact O-N 2.57Å; N266-S269 WeakPolarHBondContact O-CB 3.16Å; N266-S269 PolarHBondContact O-N 2.76Å; N266-A270 PolarHBondContact O-N 3.27Å
267	Y	98.1	Very high	96.9	Very high	115 Å²	115	42.1 Å²	42.1	45%	0.451	22%	0.218	S	C	.	.	H	α-helix	trans	-55.5	-52.5	172.2	159.2	-101.8	0	0	0	111.4	D263 Y264 S269 A270 N271 A274	D263-Y267 WeakPolarHBondContact O-CB 3.25Å; D263-Y267 PolarHBondContact O-N 3.26Å; Y264-Y267 HydrophobicContact CD2-CD1 4.18Å; Y264-Y267 HydrophobicContact CE2-CD1 4.15Å; Y264-Y267 HydrophobicContact CE2-CE1 4.4Å; Y264-Y267 WeakPolarHBondContact O-CB 3.45Å; Y264-Y267 PolarHBondContact O-N 2.78Å; Y267-S269 VanDerWaalsContact C-N 3.28Å; Y267-S269 PolarHBondContact O-N 3.25Å; Y267-A270 PolarHBondContact O-N 3.16Å; Y267-N271 HydrophobicContact CD2-CB 4.34Å; Y267-N271 HydrophobicContact CE2-CB 4.02Å; Y267-N271 WeakPolarHBondContact CE2-ND2 3.46Å; Y267-N271 VanDerWaalsContact O-CB 3.23Å; Y267-N271 WeakPolarHBondContact O-CB 3.43Å; Y267-N271 PolarHBondContact O-N 2.77Å; Y267-N271 PolarHBondContact OH-ND2 2.98Å; Y267-A274 HydrophobicContact CE1-CB 3.91Å
268	L	97.7	Very high	96.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-36.9	178	-70.5	-179.6	0	0	0	111.6	F212 I250 Y264 L265 A270 N271 A274 Y275 Y278	F212-L268 HydrophobicContact CE1-CB 4.46Å; F212-L268 HydrophobicContact CE1-CD1 4.03Å; F212-L268 HydrophobicContact CE2-CB 4.5Å; F212-L268 HydrophobicContact CZ-CB 3.65Å; F212-L268 HydrophobicContact CZ-CD1 4Å; I250-L268 HydrophobicContact CD1-CD1 3.56Å; Y264-L268 HydrophobicContact CD1-CD1 3.95Å; Y264-L268 HydrophobicContact CD1-CG 4.44Å; Y264-L268 HydrophobicContact CE1-CD1 3.42Å; Y264-L268 VanDerWaalsContact CE1-CD1 3.42Å; Y264-L268 HydrophobicContact CE1-CG 4.07Å; Y264-L268 HydrophobicContact CE2-CG 4.37Å; Y264-L268 WeakPolarHBondContact O-CG 3.36Å; Y264-L268 PolarHBondContact O-N 3.48Å; L265-L268 PolarHBondContact O-N 3.39Å; L268-A270 VanDerWaalsContact C-N 3.32Å; L268-A270 PolarHBondContact O-N 2.91Å; L268-N271 CarbonylContact O-C 3.59Å; L268-N271 PolarHBondContact O-N 2.84Å; L268-N271 VanDerWaalsContact O-O 3.11Å; L268-A274 HydrophobicContact CD2-CB 3.69Å; L268-Y275 WeakPolarHBondContact O-CB 3.38Å; L268-Y278 HydrophobicContact CD1-CD2 4.28Å; L268-Y278 HydrophobicContact CD1-CE2 3.56Å; L268-Y278 HydrophobicContact CD2-CE2 4.07Å; L268-Y278 HydrophobicContact CG-CE2 4.49Å
269	S	95.9	Very high	96.5	Very high	28 Å²	28	44.1 Å²	44.1	20%	0.196	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-41.9	177.6	-172.6	0	0	0	0	112.4	K211 L265 N266 Y267	K211-S269 WeakPolarHBondContact CD-OG 3.46Å; K211-S269 WeakPolarHBondContact CE-O 3.38Å; K211-S269 VanDerWaalsContact CE-OG 3.31Å; K211-S269 WeakPolarHBondContact CE-OG 3.36Å; K211-S269 PolarHBondContact NZ-O 3.15Å; L265-S269 VanDerWaalsContact O-CB 3.26Å; L265-S269 WeakPolarHBondContact O-CB 3.24Å; L265-S269 PolarHBondContact O-N 2.9Å; N266-S269 WeakPolarHBondContact O-CB 3.16Å; N266-S269 PolarHBondContact O-N 2.76Å; Y267-S269 VanDerWaalsContact C-N 3.28Å; Y267-S269 PolarHBondContact O-N 3.25Å
270	A	96.1	Very high	96.2	Very high	93 Å²	93	45 Å²	45	77%	0.769	23%	0.23	S	C	*	.	H	α-helix	trans	-81.1	-26.4	178.2	0	0	0	0	0	113.3	N266 Y267 L268	N266-A270 PolarHBondContact O-N 3.27Å; Y267-A270 PolarHBondContact O-N 3.16Å; L268-A270 VanDerWaalsContact C-N 3.32Å; L268-A270 PolarHBondContact O-N 2.91Å
271	N	97.4	Very high	96	Very high	47 Å²	47	42.8 Å²	42.8	25%	0.251	22%	0.218	S	C	.	.			trans	-106.1	88.3	-178.8	-171.1	-12.7	0	0	0	111.5	Y267 L268 T273 A274 Y275	Y267-N271 HydrophobicContact CD2-CB 4.34Å; Y267-N271 HydrophobicContact CE2-CB 4.02Å; Y267-N271 WeakPolarHBondContact CE2-ND2 3.46Å; Y267-N271 VanDerWaalsContact O-CB 3.23Å; Y267-N271 WeakPolarHBondContact O-CB 3.43Å; Y267-N271 PolarHBondContact O-N 2.77Å; Y267-N271 PolarHBondContact OH-ND2 2.98Å; L268-N271 CarbonylContact O-C 3.59Å; L268-N271 PolarHBondContact O-N 2.84Å; L268-N271 VanDerWaalsContact O-O 3.11Å; N271-T273 PolarHBondContact O-N 3.39Å; N271-T273 PolarHBondContact OD1-N 2.92Å; N271-T273 PolarHBondContact OD1-OG1 3.11Å; N271-A274 HydrophobicContact CB-CB 4.21Å; N271-A274 PolarHBondContact O-N 3.38Å; N271-A274 PolarHBondContact OD1-N 2.96Å; N271-Y275 PolarHBondContact O-N 3.3Å
272	W	94	Very high	95.6	Very high	56 Å²	56	45.1 Å²	45.1	21%	0.212	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-30.1	-176.9	77.5	-90.4	0	0	0	113.5	Y138 K142 A145 L146 Y275 V276	Y138-W272 AromaticContact CD1-CH2 3.83Å; Y138-W272 HydrophobicContact CD1-CH2 3.83Å; Y138-W272 HydrophobicContact CD1-CZ3 4.12Å; Y138-W272 AromaticContact CE1-CH2 3.06Å; Y138-W272 HydrophobicContact CE1-CH2 3.06Å; Y138-W272 HydrophobicContact CE1-CZ2 4.14Å; Y138-W272 AromaticContact CE1-CZ3 3.38Å; Y138-W272 HydrophobicContact CE1-CZ3 3.38Å; Y138-W272 HydrophobicContact CE2-CZ3 4.14Å; Y138-W272 AromaticContact CZ-CH2 3.52Å; Y138-W272 AromaticContact CZ-CZ3 3.35Å; Y138-W272 WeakPolarHBondContact OH-CZ3 3.19Å; K142-W272 HydrophobicContact CB-CE3 3.94Å; K142-W272 HydrophobicContact CB-CH2 3.67Å; K142-W272 HydrophobicContact CB-CZ3 3.38Å; K142-W272 HydrophobicContact CD-CH2 3.5Å; K142-W272 HydrophobicContact CD-CZ2 3.68Å; K142-W272 HydrophobicContact CD-CZ3 4.11Å; K142-W272 HydrophobicContact CG-CD2 4.11Å; K142-W272 HydrophobicContact CG-CE3 3.85Å; K142-W272 HydrophobicContact CG-CH2 3.49Å; K142-W272 VanDerWaalsContact CG-CH2 3.49Å; K142-W272 HydrophobicContact CG-CZ2 3.85Å; K142-W272 HydrophobicContact CG-CZ3 3.54Å; A145-W272 HydrophobicContact CB-CB 4.02Å; L146-W272 HydrophobicContact CD2-CB 4.04Å; L146-W272 HydrophobicContact CD2-CG 4.21Å; W272-Y275 PolarHBondContact O-N 2.49Å; W272-V276 HydrophobicContact CE3-CG1 4.09Å; W272-V276 HydrophobicContact CE3-CG2 4.26Å; W272-V276 HydrophobicContact CZ3-CG2 4.34Å; W272-V276 WeakPolarHBondContact O-CG1 3.38Å; W272-V276 WeakPolarHBondContact O-CG2 3.39Å; W272-V276 PolarHBondContact O-N 2.7Å
273	T	96.5	Very high	95.4	Very high	56 Å²	56	46.3 Å²	46.3	34%	0.344	24%	0.235	S	C	.	.	H	α-helix	trans	-70.6	-39.1	-179	61.1	0	0	0	0	111	Y138 N271 V276	Y138-T273 WeakPolarHBondContact OH-CB 3.41Å; Y138-T273 WeakPolarHBondContact OH-CG2 3.44Å; N271-T273 PolarHBondContact O-N 3.39Å; N271-T273 PolarHBondContact OD1-N 2.92Å; N271-T273 PolarHBondContact OD1-OG1 3.11Å; T273-V276 VanDerWaalsContact O-CG2 3.23Å; T273-V276 WeakPolarHBondContact O-CG2 3.38Å
274	A	97.2	Very high	95.3	Very high	18 Å²	18	48.1 Å²	48.1	15%	0.149	24%	0.239	C	C	.	.	H	α-helix	trans	-68.2	-40.3	171.9	0	0	0	0	0	111.7	Y267 L268 N271 V276 E277	Y267-A274 HydrophobicContact CE1-CB 3.91Å; L268-A274 HydrophobicContact CD2-CB 3.69Å; N271-A274 HydrophobicContact CB-CB 4.21Å; N271-A274 PolarHBondContact O-N 3.38Å; N271-A274 PolarHBondContact OD1-N 2.96Å; A274-V276 PolarHBondContact O-N 2.75Å; A274-E277 WeakPolarHBondContact O-CB 3.48Å; A274-E277 PolarHBondContact O-N 3.37Å
275	Y	95.5	Very high	95	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-40.4	179.4	176.1	-102.5	0	0	0	113.6	A145 K148 K211 F212 V231 L268 N271 W272 E277 Y278 Y279	A145-Y275 HydrophobicContact CB-CD1 3.56Å; A145-Y275 HydrophobicContact CB-CE1 3.96Å; K148-Y275 HydrophobicContact CD-CE1 4.37Å; K148-Y275 WeakPolarHBondContact CD-OH 3.3Å; K211-Y275 VanDerWaalsContact CA-OH 3.29Å; K211-Y275 WeakPolarHBondContact CA-OH 3.37Å; K211-Y275 HydrophobicContact CB-CD2 4.47Å; K211-Y275 HydrophobicContact CB-CE2 3.6Å; K211-Y275 HydrophobicContact CD-CE2 4.43Å; K211-Y275 HydrophobicContact CG-CE2 4.1Å; K211-Y275 PolarHBondContact O-OH 2.71Å; F212-Y275 HydrophobicContact CD1-CE2 4.46Å; F212-Y275 AromaticContact CE1-CD2 3.95Å; F212-Y275 HydrophobicContact CE1-CD2 3.95Å; F212-Y275 AromaticContact CE1-CE2 3.79Å; F212-Y275 HydrophobicContact CE1-CE2 3.79Å; F212-Y275 AromaticContact CZ-CD2 3.75Å; F212-Y275 HydrophobicContact CZ-CD2 3.75Å; F212-Y275 AromaticContact CZ-CE2 3.84Å; F212-Y275 HydrophobicContact CZ-CE2 3.84Å; V231-Y275 HydrophobicContact CG2-CE2 3.78Å; L268-Y275 WeakPolarHBondContact O-CB 3.38Å; N271-Y275 PolarHBondContact O-N 3.3Å; W272-Y275 PolarHBondContact O-N 2.49Å; Y275-E277 PolarHBondContact O-N 3.18Å; Y275-Y278 PolarHBondContact O-N 2.91Å; Y275-Y279 HydrophobicContact CD1-CE2 4.18Å; Y275-Y279 HydrophobicContact CE1-CD2 4.34Å; Y275-Y279 AromaticContact CE1-CE2 3.45Å; Y275-Y279 HydrophobicContact CE1-CE2 3.45Å; Y275-Y279 VanDerWaalsContact CE1-CE2 3.45Å; Y275-Y279 HydrophobicContact CE2-CE2 4.4Å; Y275-Y279 AromaticContact CZ-CE2 3.58Å; Y275-Y279 PolarHBondContact OH-OH 3.37Å
276	V	93.3	Very high	94.6	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.024	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-69.8	-14.6	-177.8	-65.2	0	0	0	0	113.8	Y138 W141 A145 W272 T273 A274 Y278 Y279	Y138-V276 HydrophobicContact CE2-CG2 3.6Å; W141-V276 HydrophobicContact CB-CB 3.93Å; W141-V276 HydrophobicContact CB-CG1 3.72Å; W141-V276 WeakPolarHBondContact O-CG1 3.13Å; A145-V276 HydrophobicContact CB-CG1 3.7Å; W272-V276 HydrophobicContact CE3-CG1 4.09Å; W272-V276 HydrophobicContact CE3-CG2 4.26Å; W272-V276 HydrophobicContact CZ3-CG2 4.34Å; W272-V276 WeakPolarHBondContact O-CG1 3.38Å; W272-V276 WeakPolarHBondContact O-CG2 3.39Å; W272-V276 PolarHBondContact O-N 2.7Å; T273-V276 VanDerWaalsContact O-CG2 3.23Å; T273-V276 WeakPolarHBondContact O-CG2 3.38Å; A274-V276 PolarHBondContact O-N 2.75Å; V276-Y278 PolarHBondContact O-N 3.17Å; V276-Y279 WeakPolarHBondContact O-CB 3.06Å; V276-Y279 PolarHBondContact O-N 2.67Å
277	E	95.3	Very high	94.1	Very high	86 Å²	86	51.6 Å²	51.6	40%	0.402	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-57.6	-34.3	172.6	-64.5	-62.5	122.8	0	0	111.5	A274 Y275 Y279 K280	A274-E277 WeakPolarHBondContact O-CB 3.48Å; A274-E277 PolarHBondContact O-N 3.37Å; Y275-E277 PolarHBondContact O-N 3.18Å; E277-Y279 PolarHBondContact O-N 3.1Å; E277-K280 PolarHBondContact O-N 3.06Å; E277-K280 WeakPolarHBondContact OE1-CE 3.46Å; E277-K280 IonicContact OE1-NZ 3.24Å; E277-K280 PolarHBondContact OE1-NZ 2.98Å; E277-K280 WeakPolarHBondContact OE2-CD 3.5Å; E277-K280 WeakPolarHBondContact OE2-CE 3.38Å; E277-K280 IonicContact OE2-NZ 3.89Å; E277-K280 PolarHBondContact OE2-NZ 2.89Å
278	Y	93.8	Very high	93.7	Very high	30 Å²	30	46.8 Å²	46.8	12%	0.118	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-69.6	-0.3	176	-69.6	-83.2	0	0	0	114.7	V231 G247 I250 Y264 L268 Y275 V276 W281	V231-Y278 HydrophobicContact CG1-CD1 3.81Å; V231-Y278 HydrophobicContact CG1-CG 3.85Å; V231-Y278 HydrophobicContact CG2-CG 4.33Å; G247-Y278 WeakPolarHBondContact O-CA 3.32Å; G247-Y278 VanDerWaalsContact O-CD1 3.23Å; G247-Y278 WeakPolarHBondContact O-CD1 2.81Å; I250-Y278 HydrophobicContact CD1-CE1 4.2Å; I250-Y278 HydrophobicContact CD1-CE2 4.29Å; I250-Y278 HydrophobicContact CG1-CD1 4.24Å; I250-Y278 HydrophobicContact CG1-CE1 3.47Å; I250-Y278 VanDerWaalsContact CG1-CE1 3.47Å; I250-Y278 HydrophobicContact CG1-CE2 4.38Å; Y264-Y278 PolarHBondContact OH-OH 3.46Å; L268-Y278 HydrophobicContact CD1-CD2 4.28Å; L268-Y278 HydrophobicContact CD1-CE2 3.56Å; L268-Y278 HydrophobicContact CD2-CE2 4.07Å; L268-Y278 HydrophobicContact CG-CE2 4.49Å; Y275-Y278 PolarHBondContact O-N 2.91Å; V276-Y278 PolarHBondContact O-N 3.17Å; Y278-W281 PolarHBondContact O-NE1 3.13Å
279	Y	90.1	Very high	93.1	Very high	12 Å²	12	49.6 Å²	49.6	5%	0.047	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-110.4	-12	175.4	-70.6	-87.9	0	0	0	113.7	W141 K148 V231 Y275 V276 E277 W281 K282	W141-Y279 HydrophobicContact CD2-CG 4.4Å; W141-Y279 AromaticContact CE3-CD1 3.85Å; W141-Y279 HydrophobicContact CE3-CD1 3.85Å; W141-Y279 HydrophobicContact CE3-CD2 4.48Å; W141-Y279 AromaticContact CE3-CG 3.71Å; W141-Y279 HydrophobicContact CE3-CG 3.71Å; W141-Y279 AromaticContact CH2-CD1 3.97Å; W141-Y279 HydrophobicContact CH2-CD1 3.97Å; W141-Y279 HydrophobicContact CH2-CG 4.33Å; W141-Y279 AromaticContact CZ3-CD1 3.35Å; W141-Y279 HydrophobicContact CZ3-CD1 3.35Å; W141-Y279 HydrophobicContact CZ3-CE1 4.2Å; W141-Y279 AromaticContact CZ3-CG 3.68Å; W141-Y279 HydrophobicContact CZ3-CG 3.68Å; K148-Y279 WeakPolarHBondContact CE-OH 3.45Å; V231-Y279 HydrophobicContact CG2-CE2 3.76Å; Y275-Y279 HydrophobicContact CD1-CE2 4.18Å; Y275-Y279 HydrophobicContact CE1-CD2 4.34Å; Y275-Y279 AromaticContact CE1-CE2 3.45Å; Y275-Y279 HydrophobicContact CE1-CE2 3.45Å; Y275-Y279 VanDerWaalsContact CE1-CE2 3.45Å; Y275-Y279 HydrophobicContact CE2-CE2 4.4Å; Y275-Y279 AromaticContact CZ-CE2 3.58Å; Y275-Y279 PolarHBondContact OH-OH 3.37Å; V276-Y279 WeakPolarHBondContact O-CB 3.06Å; V276-Y279 PolarHBondContact O-N 2.67Å; E277-Y279 PolarHBondContact O-N 3.1Å; Y279-W281 PolarHBondContact O-N 3.06Å; Y279-W281 VanDerWaalsContact O-N 3.17Å; Y279-K282 HydrophobicContact CD1-CD 3.86Å; Y279-K282 VanDerWaalsContact CD1-CE 3.47Å; Y279-K282 VanDerWaalsContact O-CB 3.3Å; Y279-K282 WeakPolarHBondContact O-CB 3.3Å; Y279-K282 PolarHBondContact O-N 3.39Å
280	K	91.7	Very high	92.6	Very high	110 Å²	110	49.3 Å²	49.3	48%	0.478	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-56.1	-36.6	-176.7	-76.2	-174.8	171.3	171.6	0	113.3	E277 K282 D283	E277-K280 PolarHBondContact O-N 3.06Å; E277-K280 WeakPolarHBondContact OE1-CE 3.46Å; E277-K280 IonicContact OE1-NZ 3.24Å; E277-K280 PolarHBondContact OE1-NZ 2.98Å; E277-K280 WeakPolarHBondContact OE2-CD 3.5Å; E277-K280 WeakPolarHBondContact OE2-CE 3.38Å; E277-K280 IonicContact OE2-NZ 3.89Å; E277-K280 PolarHBondContact OE2-NZ 2.89Å; K280-K282 PolarHBondContact O-N 2.77Å; K280-K282 VanDerWaalsContact O-N 3.14Å; K280-D283 PolarHBondContact O-N 2.9Å
281	W	93.2	Very high	92.2	Very high	30 Å²	30	45.8 Å²	45.8	11%	0.114	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-59.3	-24.7	177.8	69.2	-92.1	0	0	0	113.3	V127 P245 S248 Y278 Y279 D283 F284 Y285 V287	V127-W281 HydrophobicContact CG1-CH2 4.13Å; V127-W281 HydrophobicContact CG1-CZ3 3.9Å; P245-W281 HydrophobicContact CB-CB 3.92Å; P245-W281 HydrophobicContact CB-CD2 4.49Å; P245-W281 HydrophobicContact CB-CE3 4.4Å; P245-W281 HydrophobicContact CB-CG 4.34Å; P245-W281 HydrophobicContact CG-CB 4.49Å; P245-W281 HydrophobicContact CG-CD2 4.24Å; P245-W281 HydrophobicContact CG-CE3 3.75Å; P245-W281 HydrophobicContact CG-CZ3 4.24Å; S248-W281 VanDerWaalsContact CA-CD1 3.49Å; S248-W281 VanDerWaalsContact CB-CE2 3.48Å; Y278-W281 PolarHBondContact O-NE1 3.13Å; Y279-W281 PolarHBondContact O-N 3.06Å; Y279-W281 VanDerWaalsContact O-N 3.17Å; W281-D283 PolarHBondContact O-N 2.59Å; W281-F284 PolarHBondContact O-N 3.48Å; W281-Y285 WeakPolarHBondContact O-CD2 3.46Å; W281-Y285 PolarHBondContact O-N 3.36Å; W281-V287 HydrophobicContact CH2-CG2 3.66Å; W281-V287 HydrophobicContact CZ3-CG2 4.25Å
282	K	89.8	Confident	91.9	Very high	49 Å²	49	47.3 Å²	47.3	21%	0.213	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-68.4	-16.3	-178.1	-65.6	-169.6	-176.8	-69.8	0	113.8	R130 W141 Y279 K280 F284 Y285	R130-K282 PolarHBondContact NE-O 2.94Å; R130-K282 PolarHBondContact NH2-O 2.98Å; W141-K282 HydrophobicContact CH2-CB 4.15Å; W141-K282 HydrophobicContact CH2-CD 3.81Å; W141-K282 HydrophobicContact CZ2-CB 4.2Å; W141-K282 HydrophobicContact CZ3-CD 4.44Å; Y279-K282 HydrophobicContact CD1-CD 3.86Å; Y279-K282 VanDerWaalsContact CD1-CE 3.47Å; Y279-K282 VanDerWaalsContact O-CB 3.3Å; Y279-K282 WeakPolarHBondContact O-CB 3.3Å; Y279-K282 PolarHBondContact O-N 3.39Å; K280-K282 PolarHBondContact O-N 2.77Å; K280-K282 VanDerWaalsContact O-N 3.14Å; K282-F284 VanDerWaalsContact C-N 3.27Å; K282-Y285 VanDerWaalsContact O-O 3.06Å
283	D	93.7	Very high	91.8	Very high	25 Å²	25	44.7 Å²	44.7	13%	0.134	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-71.7	-25	171.4	-81.1	1.4	0	0	0	111.9	P133 L134 T136 K280 W281	P133-D283 CarbonylContact C-O 3.48Å; P133-D283 VanDerWaalsContact CA-O 3.24Å; P133-D283 WeakPolarHBondContact CA-O 3.35Å; L134-D283 HydrophobicContact CB-CB 4.38Å; L134-D283 PolarHBondContact N-O 3.47Å; T136-D283 WeakPolarHBondContact CB-OD1 3.44Å; T136-D283 PolarHBondContact N-OD1 2.84Å; T136-D283 PolarHBondContact N-OD2 2.9Å; T136-D283 VanDerWaalsContact N-OD2 3.14Å; T136-D283 PolarHBondContact OG1-OD1 3.15Å; K280-D283 PolarHBondContact O-N 2.9Å; W281-D283 PolarHBondContact O-N 2.59Å
284	F	95.8	Very high	91.7	Very high	117 Å²	117	42 Å²	42	51%	0.513	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-26.4	-175.4	-56.2	-77.2	0	0	0	113.6	R130 P133 W281 K282	R130-F284 PolarHBondContact N-O 2.83Å; P133-F284 HydrophobicContact CB-CD1 4.21Å; P133-F284 HydrophobicContact CB-CE1 4.42Å; P133-F284 HydrophobicContact CG-CD1 4.44Å; W281-F284 PolarHBondContact O-N 3.48Å; K282-F284 VanDerWaalsContact C-N 3.27Å
285	Y	94	Very high	91.6	Very high	84 Å²	84	41.6 Å²	41.6	33%	0.329	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	154.9	-179.3	-55.3	-102.3	0	0	0	111.6	R128 P129 R130 P245 W281 K282	R128-Y285 CarbonylContact O-C 3.59Å; R128-Y285 VanDerWaalsContact O-CA 3.25Å; R128-Y285 WeakPolarHBondContact O-CA 3.48Å; R128-Y285 WeakPolarHBondContact O-CB 3.45Å; P129-Y285 HydrophobicContact CG-CD1 4.25Å; P129-Y285 HydrophobicContact CG-CE1 4.01Å; R130-Y285 PolarHBondContact NE-O 3.25Å; R130-Y285 VanDerWaalsContact NE-O 3.15Å; R130-Y285 PolarHBondContact NH2-O 2.77Å; P245-Y285 HydrophobicContact CB-CD2 3.95Å; P245-Y285 HydrophobicContact CB-CE2 3.93Å; P245-Y285 HydrophobicContact CB-CG 4.43Å; P245-Y285 HydrophobicContact CG-CD1 4.04Å; P245-Y285 HydrophobicContact CG-CD2 3.75Å; P245-Y285 HydrophobicContact CG-CE1 4.37Å; P245-Y285 HydrophobicContact CG-CE2 4.12Å; P245-Y285 HydrophobicContact CG-CG 3.74Å; W281-Y285 WeakPolarHBondContact O-CD2 3.46Å; W281-Y285 PolarHBondContact O-N 3.36Å; K282-Y285 VanDerWaalsContact O-O 3.06Å
286	E	89.6	Confident	91.7	Very high	49 Å²	49	45.4 Å²	45.4	23%	0.229	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	149.4	169.1	63.4	-174.5	167	0	0	110.9	V127 R128 R130	V127-E286 WeakPolarHBondContact CA-O 3.43Å; R128-E286 HydrophobicContact CG-CG 3.75Å; R128-E286 IonicContact CZ-OE1 3.2Å; R128-E286 PolarHBondContact N-O 3.38Å; R128-E286 IonicContact NE-OE1 2.73Å; R128-E286 PolarHBondContact NE-OE1 2.83Å; R128-E286 IonicContact NH2-OE1 2.8Å; R128-E286 PolarHBondContact NH2-OE1 3.4Å; R128-E286 PolarHBondContact O-N 3.27Å; R130-E286 HydrophobicContact CG-CB 4.14Å; R130-E286 HydrophobicContact CG-CG 4.43Å; R130-E286 IonicContact NH1-OE2 2.92Å
287	V	87.6	Confident	91.9	Very high	74 Å²	74	45.2 Å²	45.2	45%	0.448	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	129.5	172.8	179.4	0	0	0	0	108.1	V127 W281	V127-V287 HydrophobicContact CG1-CG2 4.35Å; W281-V287 HydrophobicContact CH2-CG2 3.66Å; W281-V287 HydrophobicContact CZ3-CG2 4.25Å
288	V	89.4	Confident	92	Very high	13 Å²	13	41.2 Å²	41.2	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	107.6	171.2	-166.4	0	0	0	0	107	G125 F126 R128 K292	G125-V288 CarbonylContact C-O 3.59Å; G125-V288 VanDerWaalsContact CA-O 3.25Å; G125-V288 WeakPolarHBondContact CA-O 3.12Å; F126-V288 HydrophobicContact CD1-CB 4.19Å; F126-V288 HydrophobicContact CD2-CB 4.13Å; F126-V288 HydrophobicContact CD2-CG2 4Å; F126-V288 HydrophobicContact CE1-CB 3.96Å; F126-V288 HydrophobicContact CE1-CG1 3.87Å; F126-V288 HydrophobicContact CE2-CB 3.89Å; F126-V288 HydrophobicContact CE2-CG1 4.27Å; F126-V288 HydrophobicContact CE2-CG2 3.61Å; F126-V288 HydrophobicContact CG-CB 4.28Å; F126-V288 HydrophobicContact CZ-CB 3.8Å; F126-V288 HydrophobicContact CZ-CG1 3.72Å; F126-V288 HydrophobicContact CZ-CG2 3.94Å; F126-V288 PolarHBondContact N-O 3.22Å; F126-V288 WeakPolarHBondContact O-CB 3.07Å; F126-V288 PolarHBondContact O-N 2.98Å; R128-V288 HydrophobicContact CG-CG2 3.95Å; V288-K292 HydrophobicContact CG1-CB 3.38Å; V288-K292 HydrophobicContact CG1-CG 3.73Å
289	P	85	Confident	92.2	Very high	60 Å²	60	40.7 Å²	40.7	39%	0.39	19%	0.194	S	C	.	.			trans	-78.1	167.7	-171.3	33.2	-36.7	0	0	0	112.5	K292	P289-K292 WeakPolarHBondContact O-CB 3.33Å; P289-K292 WeakPolarHBondContact O-CG 3.48Å; P289-K292 PolarHBondContact O-N 3.21Å
290	F	85.5	Confident	92.6	Very high	22 Å²	22	43.1 Å²	43.1	10%	0.096	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	142.9	163.8	179.3	-92.4	0	0	0	110.6	Y28 Y124 I294	Y28-F290 HydrophobicContact CE1-CE2 4.24Å; Y28-F290 AromaticContact CE1-CZ 3.96Å; Y28-F290 HydrophobicContact CE1-CZ 3.96Å; Y124-F290 AromaticContact CD1-CD2 3.91Å; Y124-F290 HydrophobicContact CD1-CD2 3.91Å; Y124-F290 HydrophobicContact CD1-CE2 4.21Å; Y124-F290 WeakPolarHBondContact O-CA 3.19Å; Y124-F290 PolarHBondContact O-N 2.82Å; F290-I294 HydrophobicContact CE2-CD1 3.81Å; F290-I294 HydrophobicContact CE2-CG1 4.48Å; F290-I294 HydrophobicContact CZ-CD1 4.24Å
291	P	87.9	Confident	93	Very high	20 Å²	20	37.9 Å²	37.9	13%	0.13	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.7	26.9	1.7	39.1	-37.8	0	0	0	114.5	Y37 G293 I294 H295	Y37-P291 HydrophobicContact CE1-CB 3.79Å; Y37-P291 HydrophobicContact CE1-CG 3.88Å; Y37-P291 WeakPolarHBondContact OH-CB 3.32Å; Y37-P291 VanDerWaalsContact OH-CG 3.3Å; Y37-P291 WeakPolarHBondContact OH-CG 3.5Å; P291-G293 PolarHBondContact O-N 3.47Å; P291-G293 VanDerWaalsContact O-N 3.11Å; P291-I294 HydrophobicContact CB-CD1 4.32Å; P291-I294 WeakPolarHBondContact O-CB 3.37Å; P291-I294 PolarHBondContact O-N 3.17Å; P291-H295 PolarHBondContact O-N 3.08Å
292	K	90.7	Very high	93.2	Very high	79 Å²	79	36.5 Å²	36.5	34%	0.343	18%	0.178	S	C	.	.	H	α-helix	trans	-64.4	-19.3	-173.1	-67.8	-68.6	172.7	-155.9	0	115.4	V288 P289 H295 K296	V288-K292 HydrophobicContact CG1-CB 3.38Å; V288-K292 HydrophobicContact CG1-CG 3.73Å; P289-K292 WeakPolarHBondContact O-CB 3.33Å; P289-K292 WeakPolarHBondContact O-CG 3.48Å; P289-K292 PolarHBondContact O-N 3.21Å; K292-H295 PolarHBondContact NZ-NE2 2.96Å; K292-H295 WeakPolarHBondContact O-CB 3.37Å; K292-H295 PolarHBondContact O-N 2.8Å; K292-K296 PolarHBondContact O-N 3.49Å; K292-K296 VanDerWaalsContact O-N 3.11Å
293	G	93.1	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-73	-28.1	169.9	0	0	0	0	0	113.4	T122 P123 P291 K296 G297	T122-G293 WeakPolarHBondContact CG2-O 3.41Å; P123-G293 CarbonylContact O-C 3.6Å; P123-G293 WeakPolarHBondContact O-CA 3.4Å; P291-G293 PolarHBondContact O-N 3.47Å; P291-G293 VanDerWaalsContact O-N 3.11Å; G293-K296 WeakPolarHBondContact O-CB 3.49Å; G293-K296 PolarHBondContact O-N 2.86Å; G293-G297 PolarHBondContact O-N 3.22Å
294	I	94.2	Very high	93.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-43.5	168.8	-58.3	-179.9	0	0	0	110.4	Y28 Y37 F87 T122 F290 P291 K296 G297 M298	Y28-I294 HydrophobicContact CD1-CD1 3.95Å; Y28-I294 HydrophobicContact CE1-CD1 3.82Å; Y37-I294 HydrophobicContact CD1-CB 3.87Å; Y37-I294 HydrophobicContact CD1-CG2 3.55Å; Y37-I294 HydrophobicContact CE1-CB 3.57Å; Y37-I294 HydrophobicContact CE1-CG2 3.55Å; Y37-I294 HydrophobicContact CG-CG2 4.04Å; F87-I294 HydrophobicContact CZ-CD1 4.32Å; F87-I294 HydrophobicContact CZ-CG1 4.27Å; T122-I294 HydrophobicContact CG2-CG1 4.26Å; F290-I294 HydrophobicContact CE2-CD1 3.81Å; F290-I294 HydrophobicContact CE2-CG1 4.48Å; F290-I294 HydrophobicContact CZ-CD1 4.24Å; P291-I294 HydrophobicContact CB-CD1 4.32Å; P291-I294 WeakPolarHBondContact O-CB 3.37Å; P291-I294 PolarHBondContact O-N 3.17Å; I294-K296 PolarHBondContact O-N 2.91Å; I294-G297 PolarHBondContact O-N 3.11Å; I294-M298 HydrophobicContact CG2-CE 4.32Å; I294-M298 HydrophobicContact CG2-CG 4.2Å; I294-M298 WeakPolarHBondContact O-CG 3.45Å; I294-M298 PolarHBondContact O-N 2.84Å
295	H	95.5	Very high	93.8	Very high	9 Å²	9	32.9 Å²	32.9	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-55.2	-43.5	172	-72.5	-100.6	0	0	0	111.5	E36 Y37 P291 K292 C299	E36-H295 PolarHBondContact O-CE1 3.33Å; E36-H295 PolarHBondContact O-ND1 2.81Å; Y37-H295 WeakPolarHBondContact CA-ND1 3.42Å; Y37-H295 HydrophobicContact CD1-CB 4.4Å; Y37-H295 AromaticContact CD1-CD2 3.45Å; Y37-H295 VanDerWaalsContact CD1-CD2 3.45Å; Y37-H295 WeakPolarHBondContact CD1-CD2 3.44Å; Y37-H295 AromaticContact CD1-CG 3.69Å; Y37-H295 AromaticContact CD1-NE2 3.8Å; Y37-H295 AromaticContact CE1-CD2 3.63Å; Y37-H295 AromaticContact CE1-NE2 3.92Å; Y37-H295 WeakPolarHBondContact O-CA 3.44Å; Y37-H295 PolarHBondContact O-ND1 2.89Å; P291-H295 PolarHBondContact O-N 3.08Å; K292-H295 PolarHBondContact NZ-NE2 2.96Å; K292-H295 WeakPolarHBondContact O-CB 3.37Å; K292-H295 PolarHBondContact O-N 2.8Å; H295-C299 WeakPolarHBondContact O-CB 3.34Å; H295-C299 PolarHBondContact O-N 2.73Å; H295-C299 PolarHBondContact O-SG 2.96Å; H295-C299 VanDerWaalsContact O-SG 3.33Å
296	K	96.7	Very high	93.9	Very high	80 Å²	80	31.2 Å²	31.2	35%	0.348	16%	0.161	S	C	.	.	H	α-helix	trans	-61.1	-48.7	177.1	-176.3	-171	172.1	64.1	0	111.3	F121 F126 K292 G293 I294 C299 Q300	F121-K296 HydrophobicContact CD1-CD 4.5Å; F126-K296 HydrophobicContact CE1-CD 4.37Å; K292-K296 PolarHBondContact O-N 3.49Å; K292-K296 VanDerWaalsContact O-N 3.11Å; G293-K296 WeakPolarHBondContact O-CB 3.49Å; G293-K296 PolarHBondContact O-N 2.86Å; I294-K296 PolarHBondContact O-N 2.91Å; K296-C299 PolarHBondContact O-N 3.3Å; K296-Q300 WeakPolarHBondContact O-CG 3.16Å; K296-Q300 PolarHBondContact O-N 3.09Å
297	G	97.7	Very high	94.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.3	-48.5	177	0	0	0	0	0	113.3	T122 G293 I294 C299 Q300 L301	T122-G297 WeakPolarHBondContact OG1-CA 3.4Å; G293-G297 PolarHBondContact O-N 3.22Å; I294-G297 PolarHBondContact O-N 3.11Å; G297-C299 PolarHBondContact O-N 3.12Å; G297-Q300 WeakPolarHBondContact O-CB 3.37Å; G297-Q300 PolarHBondContact O-N 2.96Å; G297-L301 PolarHBondContact O-N 3.33Å
298	M	97.7	Very high	94.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-38.3	179.1	-67.4	-63.3	172.3	0	0	112.5	I24 V33 L38 L48 M112 I294 L301 C302	I24-M298 HydrophobicContact CD1-CE 4.42Å; V33-M298 HydrophobicContact CG1-CE 3.8Å; V33-M298 HydrophobicContact CG2-CE 4.45Å; L38-M298 HydrophobicContact CD2-CB 3.94Å; L48-M298 HydrophobicContact CD2-SD 4.28Å; M112-M298 HydrophobicContact CE-CE 3.64Å; M112-M298 HydrophobicContact CE-SD 4.3Å; M112-M298 HydrophobicContact SD-CE 4.48Å; I294-M298 HydrophobicContact CG2-CE 4.32Å; I294-M298 HydrophobicContact CG2-CG 4.2Å; I294-M298 WeakPolarHBondContact O-CG 3.45Å; I294-M298 PolarHBondContact O-N 2.84Å; M298-L301 WeakPolarHBondContact O-CB 3.32Å; M298-L301 PolarHBondContact O-N 3.36Å; M298-C302 WeakPolarHBondContact O-CB 3.47Å; M298-C302 PolarHBondContact O-N 3.03Å
299	C	98.2	Very high	94.4	Very high	20 Å²	20	31.5 Å²	31.5	14%	0.135	17%	0.171	C	C	.	.	H	α-helix	trans	-68.1	-37.8	173.4	-73.7	0	0	0	0	112.6	C41 H295 K296 G297 L301 C302 A303	C41-C299 HydrophobicContact CB-CB 3.71Å; C41-C299 WeakPolarHBondContact CB-SG 3.15Å; C41-C299 WeakPolarHBondContact SG-CA 3.39Å; C41-C299 WeakPolarHBondContact SG-CB 3.41Å; C41-C299 CovalentContact SG-SG 2.04Å; C41-C299 PolarHBondContact SG-SG 3.24Å; H295-C299 WeakPolarHBondContact O-CB 3.34Å; H295-C299 PolarHBondContact O-N 2.73Å; H295-C299 PolarHBondContact O-SG 2.96Å; H295-C299 VanDerWaalsContact O-SG 3.33Å; K296-C299 PolarHBondContact O-N 3.3Å; G297-C299 PolarHBondContact O-N 3.12Å; C299-L301 VanDerWaalsContact C-N 3.33Å; C299-C302 PolarHBondContact O-N 3.17Å; C299-A303 WeakPolarHBondContact O-CB 3.04Å; C299-A303 PolarHBondContact O-N 2.96Å
300	Q	98.4	Very high	94.4	Very high	62 Å²	62	32.1 Å²	32.1	29%	0.29	18%	0.176	S	C	.	.	H	α-helix	trans	-63.2	-41.2	172	-74.1	-177.5	-113.3	0	0	111.4	L120 F121 K296 G297 A303 K304	L120-Q300 HydrophobicContact CD2-CB 3.78Å; F121-Q300 PolarHBondContact O-OE1 3.1Å; F121-Q300 VanDerWaalsContact O-OE1 3.08Å; K296-Q300 WeakPolarHBondContact O-CG 3.16Å; K296-Q300 PolarHBondContact O-N 3.09Å; G297-Q300 WeakPolarHBondContact O-CB 3.37Å; G297-Q300 PolarHBondContact O-N 2.96Å; Q300-A303 PolarHBondContact O-N 3.29Å; Q300-K304 WeakPolarHBondContact O-CB 3.19Å; Q300-K304 PolarHBondContact O-N 3.22Å
301	L	98.5	Very high	94.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-50.8	174.9	177.2	55.8	0	0	0	110	I22 A60 V62 V85 L110 L120 G297 M298 C299 A303 K304 L305	I22-L301 HydrophobicContact CD1-CD2 4.1Å; I22-L301 HydrophobicContact CD1-CG 4.15Å; I22-L301 HydrophobicContact CG2-CD2 3.89Å; A60-L301 HydrophobicContact CB-CD1 4.24Å; A60-L301 HydrophobicContact CB-CD2 4.48Å; V62-L301 HydrophobicContact CG2-CD2 3.79Å; V85-L301 HydrophobicContact CG2-CD1 3.89Å; V85-L301 HydrophobicContact CG2-CD2 4.35Å; L110-L301 HydrophobicContact CD1-CD1 4.13Å; L120-L301 HydrophobicContact CD1-CB 3.87Å; L120-L301 HydrophobicContact CD1-CD1 3.84Å; L120-L301 HydrophobicContact CD1-CG 4.33Å; L120-L301 HydrophobicContact CD2-CB 4.4Å; G297-L301 PolarHBondContact O-N 3.33Å; M298-L301 WeakPolarHBondContact O-CB 3.32Å; M298-L301 PolarHBondContact O-N 3.36Å; C299-L301 VanDerWaalsContact C-N 3.33Å; L301-A303 VanDerWaalsContact C-N 3.32Å; L301-A303 PolarHBondContact O-N 2.78Å; L301-K304 WeakPolarHBondContact O-CB 3.23Å; L301-K304 PolarHBondContact O-N 2.96Å; L301-K304 VanDerWaalsContact O-N 3.09Å; L301-L305 HydrophobicContact CD1-CD1 4.01Å; L301-L305 HydrophobicContact CD1-CD2 4.18Å; L301-L305 HydrophobicContact CD1-CG 3.95Å; L301-L305 HydrophobicContact CG-CD1 4.03Å; L301-L305 HydrophobicContact CG-CG 4.36Å; L301-L305 VanDerWaalsContact O-CG 3.3Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 3.41Å
302	C	98.3	Very high	94.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-58.1	-43.7	179.2	-177.5	0	0	0	0	112.4	L38 L44 C46 M298 C299 K304 L305 R306	L38-C302 HydrophobicContact CD2-CB 4.14Å; L44-C302 HydrophobicContact CB-CB 4.46Å; L44-C302 WeakPolarHBondContact CB-SG 3.38Å; L44-C302 HydrophobicContact CD1-CB 4.17Å; C46-C302 HydrophobicContact CB-CB 3.8Å; C46-C302 WeakPolarHBondContact CB-SG 3.34Å; C46-C302 WeakPolarHBondContact SG-CA 3.22Å; C46-C302 WeakPolarHBondContact SG-CB 3.29Å; C46-C302 CovalentContact SG-SG 2.02Å; C46-C302 PolarHBondContact SG-SG 2.96Å; M298-C302 WeakPolarHBondContact O-CB 3.47Å; M298-C302 PolarHBondContact O-N 3.03Å; C299-C302 PolarHBondContact O-N 3.17Å; C302-K304 VanDerWaalsContact C-N 3.34Å; C302-K304 PolarHBondContact O-N 2.85Å; C302-L305 PolarHBondContact O-N 2.92Å; C302-R306 WeakPolarHBondContact O-CG 3.36Å; C302-R306 PolarHBondContact O-N 2.94Å
303	A	97.6	Very high	94.3	Very high	39 Å²	39	43.5 Å²	43.5	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-61.9	-41.6	175.8	0	0	0	0	0	112	L44 C299 Q300 L301 R306 S307	L44-A303 HydrophobicContact CD1-CB 3.87Å; C299-A303 WeakPolarHBondContact O-CB 3.04Å; C299-A303 PolarHBondContact O-N 2.96Å; Q300-A303 PolarHBondContact O-N 3.29Å; L301-A303 VanDerWaalsContact C-N 3.32Å; L301-A303 PolarHBondContact O-N 2.78Å; A303-R306 WeakPolarHBondContact O-CB 3.44Å; A303-R306 PolarHBondContact O-N 3.39Å; A303-S307 PolarHBondContact O-N 3.14Å
304	K	97.5	Very high	94.4	Very high	72 Å²	72	43.8 Å²	43.8	31%	0.313	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-41.5	176.1	179.4	55.3	177.2	150.3	0	112.2	L110 Q300 L301 C302 R306 S307 D308	L110-K304 HydrophobicContact CD1-CG 3.89Å; Q300-K304 WeakPolarHBondContact O-CB 3.19Å; Q300-K304 PolarHBondContact O-N 3.22Å; L301-K304 WeakPolarHBondContact O-CB 3.23Å; L301-K304 PolarHBondContact O-N 2.96Å; L301-K304 VanDerWaalsContact O-N 3.09Å; C302-K304 VanDerWaalsContact C-N 3.34Å; C302-K304 PolarHBondContact O-N 2.85Å; K304-R306 VanDerWaalsContact C-N 3.3Å; K304-R306 PolarHBondContact O-N 3.39Å; K304-S307 PolarHBondContact O-N 3.35Å; K304-S307 PolarHBondContact O-OG 2.81Å; K304-D308 WeakPolarHBondContact CE-OD2 3.28Å; K304-D308 IonicContact NZ-OD1 2.76Å; K304-D308 PolarHBondContact NZ-OD1 2.04Å; K304-D308 IonicContact NZ-OD2 2.65Å; K304-D308 PolarHBondContact NZ-OD2 2.94Å; K304-D308 WeakPolarHBondContact O-CB 3.4Å; K304-D308 PolarHBondContact O-N 2.95Å
305	L	97.1	Very high	94.3	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-68.1	-32.7	176.1	-60.5	175.2	0	0	0	112.2	I20 I22 A59 A60 H83 L301 C302 D308 S309	I20-L305 HydrophobicContact CD1-CB 4.46Å; I20-L305 HydrophobicContact CG2-CB 3.99Å; I20-L305 HydrophobicContact CG2-CD1 4.04Å; I22-L305 HydrophobicContact CD1-CD1 3.89Å; I22-L305 HydrophobicContact CG1-CD1 3.54Å; A59-L305 HydrophobicContact CB-CD1 4.29Å; A59-L305 HydrophobicContact CB-CD2 4.27Å; A60-L305 HydrophobicContact CB-CD1 3.62Å; A60-L305 HydrophobicContact CB-CD2 3.87Å; A60-L305 HydrophobicContact CB-CG 4.33Å; H83-L305 HydrophobicContact CB-CD2 4.26Å; H83-L305 VanDerWaalsContact CD2-CD2 3.41Å; H83-L305 WeakPolarHBondContact CD2-CD2 3.31Å; L301-L305 HydrophobicContact CD1-CD1 4.01Å; L301-L305 HydrophobicContact CD1-CD2 4.18Å; L301-L305 HydrophobicContact CD1-CG 3.95Å; L301-L305 HydrophobicContact CG-CD1 4.03Å; L301-L305 HydrophobicContact CG-CG 4.36Å; L301-L305 VanDerWaalsContact O-CG 3.3Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 3.41Å; C302-L305 PolarHBondContact O-N 2.92Å; L305-D308 PolarHBondContact O-N 2.85Å; L305-S309 WeakPolarHBondContact O-CB 3.49Å; L305-S309 PolarHBondContact O-N 3.01Å
306	R	94.9	Very high	94.3	Very high	48 Å²	48	52.2 Å²	52.2	18%	0.181	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-46.4	172.7	-75.3	-73.3	175.9	-166.8	3.7	111.8	I20 L44 N45 C302 A303 K304 D308 S309	I20-R306 VanDerWaalsContact CD1-CD 3.48Å; I20-R306 HydrophobicContact CD1-CG 3.96Å; L44-R306 PolarHBondContact O-NE 3.33Å; L44-R306 PolarHBondContact O-NH2 3.35Å; N45-R306 VanDerWaalsContact C-NH2 3.34Å; N45-R306 VanDerWaalsContact CB-NH2 3.31Å; N45-R306 PolarHBondContact O-NH2 2.79Å; C302-R306 WeakPolarHBondContact O-CG 3.36Å; C302-R306 PolarHBondContact O-N 2.94Å; A303-R306 WeakPolarHBondContact O-CB 3.44Å; A303-R306 PolarHBondContact O-N 3.39Å; K304-R306 VanDerWaalsContact C-N 3.3Å; K304-R306 PolarHBondContact O-N 3.39Å; R306-D308 PolarHBondContact O-N 2.89Å; R306-S309 WeakPolarHBondContact O-CB 3.01Å; R306-S309 PolarHBondContact O-N 3.16Å; R306-S309 PolarHBondContact O-OG 3.05Å
307	S	93.6	Very high	94.3	Very high	56 Å²	56	49.6 Å²	49.6	39%	0.392	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-35.7	176	67.8	0	0	0	0	112.1	A303 K304	A303-S307 PolarHBondContact O-N 3.14Å; K304-S307 PolarHBondContact O-N 3.35Å; K304-S307 PolarHBondContact O-OG 2.81Å
308	D	94.6	Very high	94.3	Very high	24 Å²	24	59 Å²	59	13%	0.128	31%	0.308	C	S	.	.	H	α-helix	trans	-89.9	-2.6	-174.7	-69.5	15.5	0	0	0	113.3	H83 K304 L305 R306 C310 S311 I314	H83-D308 IonicContact CE1-OD2 3.48Å; H83-D308 PolarHBondContact CE1-OD2 3.46Å; H83-D308 IonicContact NE2-OD2 3.04Å; H83-D308 PolarHBondContact NE2-OD2 2.83Å; K304-D308 WeakPolarHBondContact CE-OD2 3.28Å; K304-D308 IonicContact NZ-OD1 2.76Å; K304-D308 PolarHBondContact NZ-OD1 2.04Å; K304-D308 IonicContact NZ-OD2 2.65Å; K304-D308 PolarHBondContact NZ-OD2 2.94Å; K304-D308 WeakPolarHBondContact O-CB 3.4Å; K304-D308 PolarHBondContact O-N 2.95Å; L305-D308 PolarHBondContact O-N 2.85Å; R306-D308 PolarHBondContact O-N 2.89Å; D308-C310 PolarHBondContact O-N 2.64Å; D308-S311 WeakPolarHBondContact O-CB 3.35Å; D308-S311 PolarHBondContact O-N 3Å; D308-S311 PolarHBondContact O-OG 3.35Å; D308-I314 HydrophobicContact CB-CD1 3.85Å
309	S	89	Confident	94.2	Very high	63 Å²	63	61.7 Å²	61.7	44%	0.441	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.3	-174.2	61.4	0	0	0	0	114.9	L305 R306	L305-S309 WeakPolarHBondContact O-CB 3.49Å; L305-S309 PolarHBondContact O-N 3.01Å; R306-S309 WeakPolarHBondContact O-CB 3.01Å; R306-S309 PolarHBondContact O-N 3.16Å; R306-S309 PolarHBondContact O-OG 3.05Å
310	C	85.3	Confident	94.2	Very high	72 Å²	72	60.7 Å²	60.7	49%	0.486	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-1.5	174.7	-62.5	0	0	0	0	113.8	C10 D308 R312	C10-C310 HydrophobicContact CB-CB 4.2Å; C10-C310 WeakPolarHBondContact CB-SG 2.99Å; D308-C310 PolarHBondContact O-N 2.64Å; C310-R312 PolarHBondContact O-N 2.92Å
311	S	87	Confident	94	Very high	50 Å²	50	59.7 Å²	59.7	35%	0.35	32%	0.315	S	S	.	.			trans	-77	123.4	178.9	-63.6	0	0	0	0	110.5	D308 T313	D308-S311 WeakPolarHBondContact O-CB 3.35Å; D308-S311 PolarHBondContact O-N 3Å; D308-S311 PolarHBondContact O-OG 3.35Å; S311-T313 VanDerWaalsContact C-N 3.3Å
312	R	84.5	Confident	93.9	Very high	226 Å²	226	62.2 Å²	62.2	85%	0.853	33%	0.329	S	S	*	.	S	Bend	trans	-73.1	-24.5	175.4	-65.2	-175.1	-179.4	178.2	0.1	112.9	C310	C310-R312 PolarHBondContact O-N 2.92Å
313	T	91.9	Very high	93.8	Very high	84 Å²	84	62.2 Å²	62.2	52%	0.515	33%	0.328	S	S	.	.	S	Bend	trans	-145.8	126.5	-178.3	-52.1	0	0	0	0	110.5	P80 S311	P80-T313 CarbonylContact O-C 3.51Å; P80-T313 WeakPolarHBondContact O-CA 3.46Å; S311-T313 VanDerWaalsContact C-N 3.3Å
314	I	93.9	Very high	93.8	Very high	6 Å²	6	65.7 Å²	65.7	3%	0.031	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-96.3	125.9	177.2	-60.9	-54.7	0	0	0	109.4	R78 P80 H83 T109 D308	R78-I314 PolarHBondContact NH1-O 3.23Å; R78-I314 PolarHBondContact NH2-O 3.33Å; R78-I314 VanDerWaalsContact NH2-O 3.12Å; P80-I314 PolarHBondContact O-N 3.18Å; H83-I314 WeakPolarHBondContact CE1-CG2 3.5Å; H83-I314 WeakPolarHBondContact ND1-CG2 3.35Å; T109-I314 HydrophobicContact CG2-CG2 4.1Å; D308-I314 HydrophobicContact CB-CD1 3.85Å
315	Q	93.2	Very high	93.7	Very high	142 Å²	142	66.4 Å²	66.4	66%	0.664	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-95.5	142	171.4	-58.8	-58	-23.1	0	0	110.3
316	P	95.4	Very high	93.7	Very high	46 Å²	46	66.6 Å²	66.6	30%	0.299	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-57.4	141.3	170.7	-22.3	31.9	0	0	0	112.4	T109 A321	T109-P316 HydrophobicContact CG2-CB 4.41Å; T109-P316 HydrophobicContact CG2-CG 4.12Å; P316-A321 HydrophobicContact CB-CB 4.28Å
317	S	96.8	Very high	93.8	Very high	24 Å²	24	64.4 Å²	64.4	17%	0.168	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-61.8	157.5	165.9	80.7	0	0	0	0	110.1	T109 D119 K319 A320 A321	T109-S317 PolarHBondContact O-N 3.34Å; D119-S317 VanDerWaalsContact CG-OG 3.31Å; D119-S317 WeakPolarHBondContact OD1-CB 3.43Å; D119-S317 PolarHBondContact OD1-OG 2.83Å; D119-S317 VanDerWaalsContact OD2-CB 3.3Å; D119-S317 WeakPolarHBondContact OD2-CB 3.4Å; D119-S317 PolarHBondContact OD2-OG 3.12Å; S317-K319 PolarHBondContact O-N 3.02Å; S317-K319 VanDerWaalsContact O-N 3.13Å; S317-K319 PolarHBondContact OG-N 3.12Å; S317-A320 PolarHBondContact O-N 3.15Å; S317-A320 VanDerWaalsContact O-N 3.17Å; S317-A320 WeakPolarHBondContact OG-CB 3.45Å; S317-A320 PolarHBondContact OG-N 2.76Å; S317-A321 WeakPolarHBondContact O-CB 3.36Å; S317-A321 PolarHBondContact O-N 3.11Å
318	K	96.1	Very high	93.8	Very high	199 Å²	199	64 Å²	64	87%	0.865	32%	0.323	S	S	*	.	H	α-helix	trans	-54.1	-35.4	176.4	-68.6	-173.6	177.8	-176	0	112.5
319	K	96.8	Very high	93.9	Very high	56 Å²	56	68.5 Å²	68.5	24%	0.243	34%	0.343	C	S	.	.	H	α-helix	trans	-73.2	-44.9	-179	-55.8	166.1	-152.9	155.9	0	111.2	T111 D117 S118 D119 S317 A321 N322 L323 W326	T111-K319 HydrophobicContact CG2-CB 3.97Å; D117-K319 WeakPolarHBondContact O-CD 3.14Å; D117-K319 WeakPolarHBondContact O-CE 3.44Å; D117-K319 PolarHBondContact O-NZ 2.65Å; S118-K319 PolarHBondContact O-NZ 3.04Å; D119-K319 WeakPolarHBondContact OD1-CE 3.16Å; D119-K319 IonicContact OD1-NZ 3.31Å; D119-K319 PolarHBondContact OD1-NZ 3.48Å; S317-K319 PolarHBondContact O-N 3.02Å; S317-K319 VanDerWaalsContact O-N 3.13Å; S317-K319 PolarHBondContact OG-N 3.12Å; K319-A321 VanDerWaalsContact C-N 3.28Å; K319-A321 PolarHBondContact O-N 3.43Å; K319-N322 CarbonylContact O-C 3.4Å; K319-N322 VanDerWaalsContact O-C 3.31Å; K319-N322 PolarHBondContact O-N 2.81Å; K319-L323 PolarHBondContact O-N 2.77Å; K319-W326 HydrophobicContact CB-CB 4.26Å; K319-W326 HydrophobicContact CB-CD2 3.71Å; K319-W326 HydrophobicContact CB-CE3 4.11Å; K319-W326 HydrophobicContact CB-CG 3.74Å; K319-W326 HydrophobicContact CD-CD2 4.48Å; K319-W326 HydrophobicContact CD-CZ2 4.5Å; K319-W326 HydrophobicContact CG-CD2 4.14Å; K319-W326 HydrophobicContact CG-CG 3.9Å
320	A	97.1	Very high	94.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-70	-26.4	177.8	0	0	0	0	0	112.7	T109 T111 S317 N322	T109-A320 WeakPolarHBondContact O-CB 3.45Å; T111-A320 HydrophobicContact CG2-CB 4.12Å; S317-A320 PolarHBondContact O-N 3.15Å; S317-A320 VanDerWaalsContact O-N 3.17Å; S317-A320 WeakPolarHBondContact OG-CB 3.45Å; S317-A320 PolarHBondContact OG-N 2.76Å; A320-N322 VanDerWaalsContact C-N 3.35Å
321	A	95.8	Very high	94.7	Very high	40 Å²	40	66.8 Å²	66.8	33%	0.331	32%	0.322	S	S	.	.	H	α-helix	trans	-69.4	-30	176.9	0	0	0	0	0	113.2	P316 S317 K319	P316-A321 HydrophobicContact CB-CB 4.28Å; S317-A321 WeakPolarHBondContact O-CB 3.36Å; S317-A321 PolarHBondContact O-N 3.11Å; K319-A321 VanDerWaalsContact C-N 3.28Å; K319-A321 PolarHBondContact O-N 3.43Å
322	N	95.5	Very high	95	Very high	54 Å²	54	69.1 Å²	69.1	29%	0.289	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-141.9	81	178	-170.7	-7.7	0	0	0	110.6	K319 A320 R324 E325 W326	K319-N322 CarbonylContact O-C 3.4Å; K319-N322 VanDerWaalsContact O-C 3.31Å; K319-N322 PolarHBondContact O-N 2.81Å; A320-N322 VanDerWaalsContact C-N 3.35Å; N322-R324 VanDerWaalsContact C-N 3.29Å; N322-R324 PolarHBondContact O-N 3.05Å; N322-E325 HydrophobicContact CB-CB 4.23Å; N322-E325 WeakPolarHBondContact ND2-CB 3.46Å; N322-E325 PolarHBondContact ND2-OE2 2.87Å; N322-E325 PolarHBondContact O-N 3.3Å; N322-E325 WeakPolarHBondContact OD1-CB 3.17Å; N322-E325 PolarHBondContact OD1-N 2.95Å; N322-E325 VanDerWaalsContact OD1-N 3.13Å; N322-W326 PolarHBondContact O-N 3.31Å; N322-W326 VanDerWaalsContact O-N 3.08Å
323	L	97.2	Very high	95.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.5	-31	-177	-70.1	173.3	0	0	0	112.6	L86 F100 E104 Y108 T111 K319 W326 F327	L86-L323 HydrophobicContact CD2-CD1 3.73Å; L86-L323 HydrophobicContact CD2-CD2 3.57Å; L86-L323 HydrophobicContact CD2-CG 4.27Å; F100-L323 HydrophobicContact CE1-CB 4.35Å; F100-L323 HydrophobicContact CE2-CB 4.33Å; F100-L323 HydrophobicContact CZ-CB 3.79Å; E104-L323 HydrophobicContact CB-CB 4.17Å; E104-L323 WeakPolarHBondContact O-CB 3.31Å; E104-L323 PolarHBondContact O-N 3.5Å; E104-L323 VanDerWaalsContact O-N 3.09Å; Y108-L323 HydrophobicContact CD2-CD1 3.35Å; Y108-L323 HydrophobicContact CE2-CD1 3.78Å; Y108-L323 HydrophobicContact CG-CD1 4.3Å; T111-L323 HydrophobicContact CG2-CD2 3.54Å; K319-L323 PolarHBondContact O-N 2.77Å; L323-W326 HydrophobicContact CD2-CE3 3.89Å; L323-W326 HydrophobicContact CD2-CZ3 4.05Å; L323-F327 WeakPolarHBondContact O-CA 3.05Å; L323-F327 WeakPolarHBondContact O-CB 3.22Å; L323-F327 PolarHBondContact O-N 3Å
324	R	95.7	Very high	95.7	Very high	112 Å²	112	58 Å²	58	42%	0.423	28%	0.283	S	S	.	.	I	π-helix	trans	-63	-52.3	177.7	-174.7	-175	178.4	90.4	4.7	110.9	N322 I328 E329	N322-R324 VanDerWaalsContact C-N 3.29Å; N322-R324 PolarHBondContact O-N 3.05Å; R324-I328 WeakPolarHBondContact O-CA 3.49Å; R324-I328 VanDerWaalsContact O-CB 3.25Å; R324-I328 WeakPolarHBondContact O-CB 3.35Å; R324-I328 PolarHBondContact O-N 2.95Å; R324-E329 IonicContact NE-OE1 3.55Å; R324-E329 PolarHBondContact NE-OE1 3.46Å; R324-E329 PolarHBondContact O-N 3.34Å
325	E	96.3	Very high	95.7	Very high	87 Å²	87	62 Å²	62	41%	0.407	31%	0.305	S	S	.	.	I	π-helix	trans	-60.9	-53.2	178.1	179.9	-174.5	-179.2	0	0	110.6	N322 E329 Q330	N322-E325 HydrophobicContact CB-CB 4.23Å; N322-E325 WeakPolarHBondContact ND2-CB 3.46Å; N322-E325 PolarHBondContact ND2-OE2 2.87Å; N322-E325 PolarHBondContact O-N 3.3Å; N322-E325 WeakPolarHBondContact OD1-CB 3.17Å; N322-E325 PolarHBondContact OD1-N 2.95Å; N322-E325 VanDerWaalsContact OD1-N 3.13Å; E325-E329 PolarHBondContact O-N 2.87Å; E325-Q330 VanDerWaalsContact O-CG 3.28Å; E325-Q330 WeakPolarHBondContact O-CG 3.45Å; E325-Q330 PolarHBondContact O-N 2.96Å
326	W	96.6	Very high	95.9	Very high	10 Å²	10	58.8 Å²	58.8	4%	0.038	29%	0.292	C	S	.	.	I	π-helix	trans	-66.2	-53.8	-176.3	168.6	64.4	0	0	0	112	T111 R115 D117 K319 N322 L323 Q330	T111-W326 HydrophobicContact CG2-CE3 3.79Å; T111-W326 HydrophobicContact CG2-CH2 3.92Å; T111-W326 HydrophobicContact CG2-CZ3 3.38Å; R115-W326 HydrophobicContact CB-CZ2 4.17Å; R115-W326 VanDerWaalsContact CZ-O 3.24Å; R115-W326 PolarHBondContact NH1-O 3.35Å; R115-W326 PolarHBondContact NH2-O 3Å; D117-W326 PolarHBondContact OD1-NE1 3.09Å; D117-W326 VanDerWaalsContact OD1-NE1 3.08Å; D117-W326 PolarHBondContact OD2-NE1 3.46Å; K319-W326 HydrophobicContact CB-CB 4.26Å; K319-W326 HydrophobicContact CB-CD2 3.71Å; K319-W326 HydrophobicContact CB-CE3 4.11Å; K319-W326 HydrophobicContact CB-CG 3.74Å; K319-W326 HydrophobicContact CD-CD2 4.48Å; K319-W326 HydrophobicContact CD-CZ2 4.5Å; K319-W326 HydrophobicContact CG-CD2 4.14Å; K319-W326 HydrophobicContact CG-CG 3.9Å; N322-W326 PolarHBondContact O-N 3.31Å; N322-W326 VanDerWaalsContact O-N 3.08Å; L323-W326 HydrophobicContact CD2-CE3 3.89Å; L323-W326 HydrophobicContact CD2-CZ3 4.05Å; W326-Q330 WeakPolarHBondContact O-CB 3.41Å
327	F	96.6	Very high	95.9	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	28%	0.281	C	S	.	.	I	π-helix	trans	-87.5	-35.5	-168.5	-158.7	-106.9	0	0	0	113.7	V88 A92 V95 F100 Y114 R115 L323 S331	V88-F327 HydrophobicContact CB-CZ 4.38Å; V88-F327 HydrophobicContact CG1-CD2 4.38Å; V88-F327 HydrophobicContact CG1-CE1 4.16Å; V88-F327 HydrophobicContact CG1-CE2 3.71Å; V88-F327 HydrophobicContact CG1-CZ 3.58Å; V88-F327 HydrophobicContact CG2-CE1 3.94Å; V88-F327 HydrophobicContact CG2-CZ 3.84Å; A92-F327 HydrophobicContact CB-CD1 4.39Å; A92-F327 HydrophobicContact CB-CE1 4.44Å; V95-F327 HydrophobicContact CG1-CD1 3.76Å; V95-F327 HydrophobicContact CG1-CE1 3.52Å; F100-F327 HydrophobicContact CE2-CB 4.46Å; F100-F327 HydrophobicContact CE2-CD1 4.12Å; F100-F327 HydrophobicContact CZ-CB 4.04Å; F100-F327 HydrophobicContact CZ-CD1 4.27Å; Y114-F327 HydrophobicContact CE1-CE2 4.37Å; Y114-F327 AromaticContact CE1-CZ 3.9Å; Y114-F327 HydrophobicContact CE1-CZ 3.9Å; R115-F327 HydrophobicContact CG-CD2 4.49Å; R115-F327 HydrophobicContact CG-CE2 4.08Å; L323-F327 WeakPolarHBondContact O-CA 3.05Å; L323-F327 WeakPolarHBondContact O-CB 3.22Å; L323-F327 PolarHBondContact O-N 3Å; F327-S331 VanDerWaalsContact O-CB 3.29Å; F327-S331 WeakPolarHBondContact O-CB 3.47Å
328	I	95.5	Very high	95.9	Very high	48 Å²	48	56.1 Å²	56.1	25%	0.246	27%	0.273	C	S	.	.	I	π-helix	trans	-95.5	-53.8	-175.4	-51.6	-59.2	0	0	0	111.3	A92 V95 F100 R324 S331	A92-I328 HydrophobicContact CB-CD1 3.84Å; V95-I328 HydrophobicContact CG1-CD1 4.26Å; V95-I328 HydrophobicContact CG2-CD1 3.94Å; F100-I328 HydrophobicContact CE1-CD1 3.99Å; F100-I328 HydrophobicContact CE1-CG1 3.67Å; F100-I328 HydrophobicContact CZ-CD1 4.02Å; F100-I328 HydrophobicContact CZ-CG1 3.93Å; R324-I328 WeakPolarHBondContact O-CA 3.49Å; R324-I328 VanDerWaalsContact O-CB 3.25Å; R324-I328 WeakPolarHBondContact O-CB 3.35Å; R324-I328 PolarHBondContact O-N 2.95Å; I328-S331 WeakPolarHBondContact O-CB 3.3Å; I328-S331 PolarHBondContact O-N 3Å; I328-S331 PolarHBondContact O-OG 2.71Å
329	E	95.9	Very high	95.9	Very high	119 Å²	119	51.4 Å²	51.4	56%	0.556	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-75.8	-41.3	-172.2	-62.1	172.6	179.5	0	0	111.6	R324 E325 S331	R324-E329 IonicContact NE-OE1 3.55Å; R324-E329 PolarHBondContact NE-OE1 3.46Å; R324-E329 PolarHBondContact O-N 3.34Å; E325-E329 PolarHBondContact O-N 2.87Å; E329-S331 PolarHBondContact O-N 2.02Å
330	Q	96.2	Very high	95.8	Very high	85 Å²	85	52.9 Å²	52.9	40%	0.397	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-85.4	17.4	174.5	-58.9	168.4	4.5	0	0	113.1	R115 E325 W326 E332	R115-Q330 PolarHBondContact NH1-O 3.13Å; R115-Q330 PolarHBondContact NH2-O 3.49Å; E325-Q330 VanDerWaalsContact O-CG 3.28Å; E325-Q330 WeakPolarHBondContact O-CG 3.45Å; E325-Q330 PolarHBondContact O-N 2.96Å; W326-Q330 WeakPolarHBondContact O-CB 3.41Å; Q330-E332 VanDerWaalsContact C-N 3.28Å; Q330-E332 PolarHBondContact O-N 3.3Å
331	S	94	Very high	95.7	Very high	13 Å²	13	53 Å²	53	9%	0.091	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-71.7	-21.7	-178.3	65.9	0	0	0	0	114.1	K222 F327 I328 E329 C333	K222-S331 WeakPolarHBondContact CB-O 2.95Å; K222-S331 PolarHBondContact N-O 3.31Å; F327-S331 VanDerWaalsContact O-CB 3.29Å; F327-S331 WeakPolarHBondContact O-CB 3.47Å; I328-S331 WeakPolarHBondContact O-CB 3.3Å; I328-S331 PolarHBondContact O-N 3Å; I328-S331 PolarHBondContact O-OG 2.71Å; E329-S331 PolarHBondContact O-N 2.02Å; S331-C333 WeakPolarHBondContact CB-SG 3.38Å; S331-C333 PolarHBondContact O-N 3.34Å; S331-C333 VanDerWaalsContact O-N 3.13Å; S331-C333 PolarHBondContact OG-N 3.28Å; S331-C333 PolarHBondContact OG-SG 3.05Å
332	E	94.2	Very high	95.5	Very high	100 Å²	100	52.2 Å²	52.2	47%	0.467	25%	0.251	S	S	.	.			trans	51.4	31.6	-172	-54.1	170.9	-149.4	0	0	112	K222 H239 Q330	K222-E332 HydrophobicContact CB-CB 4.29Å; K222-E332 WeakPolarHBondContact CD-OE1 3.27Å; K222-E332 IonicContact NZ-OE1 2.85Å; K222-E332 PolarHBondContact NZ-OE1 2.9Å; H239-E332 PolarHBondContact NE2-O 3.05Å; Q330-E332 VanDerWaalsContact C-N 3.28Å; Q330-E332 PolarHBondContact O-N 3.3Å
333	C	95.4	Very high	94.9	Very high	26 Å²	26	53.7 Å²	53.7	18%	0.176	26%	0.259	C	S	.	.			trans	-71.9	135.1	177.8	-64.3	0	0	0	0	111.4	H93 V220 C221 S331	H93-C333 WeakPolarHBondContact NE2-CB 3.04Å; V220-C333 CarbonylContact O-C 3.49Å; V220-C333 WeakPolarHBondContact O-CA 3.33Å; C221-C333 HydrophobicContact CB-CB 4.2Å; C221-C333 WeakPolarHBondContact CB-SG 3.38Å; C221-C333 WeakPolarHBondContact SG-CB 3.42Å; C221-C333 CovalentContact SG-SG 2.03Å; C221-C333 PolarHBondContact SG-SG 2.86Å; S331-C333 WeakPolarHBondContact CB-SG 3.38Å; S331-C333 PolarHBondContact O-N 3.34Å; S331-C333 VanDerWaalsContact O-N 3.13Å; S331-C333 PolarHBondContact OG-N 3.28Å; S331-C333 PolarHBondContact OG-SG 3.05Å
334	I	95	Very high	93.7	Very high	49 Å²	49	58.3 Å²	58.3	25%	0.251	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-112.3	117.8	177.6	-52.5	171.5	0	0	0	110	V220 K236 F337 L340	V220-I334 PolarHBondContact O-N 2.66Å; K236-I334 HydrophobicContact CD-CD1 3.75Å; I334-F337 HydrophobicContact CB-CB 4.46Å; I334-F337 HydrophobicContact CB-CD2 4.21Å; I334-F337 HydrophobicContact CD1-CD2 4.12Å; I334-F337 HydrophobicContact CD1-CE2 4.12Å; I334-F337 HydrophobicContact CG2-CB 4.18Å; I334-F337 HydrophobicContact CG2-CD2 3.75Å; I334-F337 HydrophobicContact CG2-CG 4.38Å; I334-L340 HydrophobicContact CG2-CD1 3.92Å
335	N	95.1	Very high	92	Very high	90 Å²	90	54.2 Å²	54.2	48%	0.481	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	149.3	173	-72.3	-51.3	0	0	0	111.1	H93 F337	H93-N335 PolarHBondContact CE1-OD1 3.46Å; H93-N335 PolarHBondContact NE2-OD1 3.49Å; N335-F337 PolarHBondContact O-N 3.48Å; N335-F337 VanDerWaalsContact O-N 3.1Å
336	N	96.1	Very high	90.3	Very high	75 Å²	75	55.4 Å²	55.4	40%	0.401	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	24.8	173.7	-58.8	-42.6	0	0	0	113.9	P162 K164 G338 Y339 L340	P162-N336 PolarHBondContact O-N 2.82Å; K164-N336 WeakPolarHBondContact CE-OD1 3.48Å; K164-N336 HydrophobicContact CG-CB 4.37Å; K164-N336 WeakPolarHBondContact CG-OD1 3.23Å; N336-G338 PolarHBondContact O-N 2.98Å; N336-G338 VanDerWaalsContact O-N 3.17Å; N336-Y339 HydrophobicContact CB-CD2 4.02Å; N336-Y339 WeakPolarHBondContact O-CB 3.49Å; N336-Y339 PolarHBondContact O-N 3.41Å; N336-L340 PolarHBondContact O-N 2.93Å; N336-L340 VanDerWaalsContact O-N 3.17Å
337	F	96.1	Very high	88.6	Confident	14 Å²	14	59.3 Å²	59.3	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-58.2	-33.9	-174.6	-167	-114.2	0	0	0	113.1	S163 V220 F235 K236 D253 I334 N335 Y339 L340 L341	S163-F337 PolarHBondContact O-N 3.04Å; V220-F337 HydrophobicContact CB-CB 4.46Å; V220-F337 HydrophobicContact CG1-CD1 4.23Å; V220-F337 HydrophobicContact CG1-CG 4.41Å; V220-F337 HydrophobicContact CG2-CB 3.92Å; V220-F337 HydrophobicContact CG2-CD1 3.89Å; V220-F337 HydrophobicContact CG2-CG 4.14Å; F235-F337 HydrophobicContact CB-CD1 4.3Å; F235-F337 HydrophobicContact CB-CE1 4.34Å; F235-F337 AromaticContact CD1-CD1 3.69Å; F235-F337 HydrophobicContact CD1-CD1 3.69Å; F235-F337 HydrophobicContact CD1-CE1 4.48Å; F235-F337 HydrophobicContact CD2-CD1 4.05Å; F235-F337 HydrophobicContact CD2-CE1 4.25Å; F235-F337 HydrophobicContact CE1-CB 4.34Å; F235-F337 HydrophobicContact CE1-CD1 4Å; F235-F337 HydrophobicContact CE2-CD1 4.39Å; F235-F337 AromaticContact CG-CD1 3.72Å; F235-F337 HydrophobicContact CG-CD1 3.72Å; F235-F337 HydrophobicContact CG-CE1 4.07Å; F235-F337 HydrophobicContact CZ-CD1 4.37Å; F235-F337 WeakPolarHBondContact O-CE1 3.46Å; K236-F337 HydrophobicContact CB-CE1 3.96Å; K236-F337 HydrophobicContact CB-CZ 4.1Å; K236-F337 HydrophobicContact CD-CE2 4.42Å; K236-F337 HydrophobicContact CD-CZ 4.13Å; K236-F337 HydrophobicContact CG-CZ 4.35Å; D253-F337 HydrophobicContact CB-CE1 4.31Å; D253-F337 HydrophobicContact CB-CZ 3.88Å; I334-F337 HydrophobicContact CB-CB 4.46Å; I334-F337 HydrophobicContact CB-CD2 4.21Å; I334-F337 HydrophobicContact CD1-CD2 4.12Å; I334-F337 HydrophobicContact CD1-CE2 4.12Å; I334-F337 HydrophobicContact CG2-CB 4.18Å; I334-F337 HydrophobicContact CG2-CD2 3.75Å; I334-F337 HydrophobicContact CG2-CG 4.38Å; N335-F337 PolarHBondContact O-N 3.48Å; N335-F337 VanDerWaalsContact O-N 3.1Å; F337-Y339 VanDerWaalsContact C-N 3.33Å; F337-Y339 PolarHBondContact O-N 3.38Å; F337-L340 HydrophobicContact CD2-CD1 4.23Å; F337-L340 WeakPolarHBondContact O-CB 3.45Å; F337-L340 PolarHBondContact O-N 3.2Å; F337-L341 HydrophobicContact CD1-CD1 4.04Å; F337-L341 HydrophobicContact CD1-CG 4.18Å; F337-L341 HydrophobicContact CE1-CD1 3.63Å; F337-L341 HydrophobicContact CE1-CD2 4.12Å; F337-L341 HydrophobicContact CE1-CG 3.87Å; F337-L341 HydrophobicContact CE2-CD2 4.36Å; F337-L341 HydrophobicContact CZ-CD1 4.24Å; F337-L341 HydrophobicContact CZ-CD2 3.87Å; F337-L341 HydrophobicContact CZ-CG 4.09Å; F337-L341 PolarHBondContact O-N 3.24Å
338	G	96.5	Very high	86.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-38.9	172.7	0	0	0	0	0	114	S163 N336 M342	S163-G338 PolarHBondContact O-N 2.76Å; N336-G338 PolarHBondContact O-N 2.98Å; N336-G338 VanDerWaalsContact O-N 3.17Å; G338-M342 WeakPolarHBondContact O-CE 3.21Å; G338-M342 WeakPolarHBondContact O-CG 3.34Å; G338-M342 PolarHBondContact O-N 3.36Å
339	Y	96.4	Very high	84.3	Confident	101 Å²	101	67.6 Å²	67.6	40%	0.396	37%	0.371	S	S	.	.	H	α-helix	trans	-66.8	-45.4	172.5	-68.9	-63.7	0	0	0	111.3	K164 V167 N336 F337 L341 M342 D343	K164-Y339 HydrophobicContact CB-CD2 3.97Å; K164-Y339 HydrophobicContact CB-CE2 3.99Å; K164-Y339 HydrophobicContact CD-CD2 4.46Å; K164-Y339 HydrophobicContact CD-CE2 3.81Å; K164-Y339 HydrophobicContact CG-CD2 3.74Å; K164-Y339 HydrophobicContact CG-CE2 3.59Å; V167-Y339 HydrophobicContact CB-CE1 4.31Å; V167-Y339 HydrophobicContact CG1-CD1 4.37Å; V167-Y339 HydrophobicContact CG1-CE1 3.68Å; V167-Y339 HydrophobicContact CG2-CE1 4.34Å; N336-Y339 HydrophobicContact CB-CD2 4.02Å; N336-Y339 WeakPolarHBondContact O-CB 3.49Å; N336-Y339 PolarHBondContact O-N 3.41Å; F337-Y339 VanDerWaalsContact C-N 3.33Å; F337-Y339 PolarHBondContact O-N 3.38Å; Y339-L341 PolarHBondContact O-N 3.47Å; Y339-M342 HydrophobicContact CD1-CE 3.44Å; Y339-M342 VanDerWaalsContact CD1-CE 3.44Å; Y339-M342 HydrophobicContact CE1-CE 4Å; Y339-M342 HydrophobicContact CG-CE 4.24Å; Y339-M342 PolarHBondContact O-N 2.66Å; Y339-D343 PolarHBondContact O-N 2.69Å
340	L	95	Very high	83.7	Confident	87 Å²	87	65.1 Å²	65.1	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-57.8	-35.2	179.4	-63.2	176.9	0	0	0	113.2	I334 N336 F337	I334-L340 HydrophobicContact CG2-CD1 3.92Å; N336-L340 PolarHBondContact O-N 2.93Å; N336-L340 VanDerWaalsContact O-N 3.17Å; F337-L340 HydrophobicContact CD2-CD1 4.23Å; F337-L340 WeakPolarHBondContact O-CB 3.45Å; F337-L340 PolarHBondContact O-N 3.2Å
341	L	93.9	Very high	83.1	Confident	2 Å²	2	64 Å²	64	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-76.6	-21.5	176	-67	-171.9	0	0	0	113.8	Y168 F235 A252 D253 G257 F337 Y339	Y168-L341 HydrophobicContact CD2-CB 3.88Å; Y168-L341 HydrophobicContact CD2-CD1 4.46Å; Y168-L341 HydrophobicContact CE2-CB 3.5Å; Y168-L341 HydrophobicContact CE2-CD1 4.02Å; Y168-L341 HydrophobicContact CE2-CG 4.45Å; F235-L341 HydrophobicContact CD2-CD1 3.58Å; F235-L341 HydrophobicContact CE2-CD1 3.56Å; A252-L341 HydrophobicContact CB-CD1 4.02Å; D253-L341 HydrophobicContact CB-CD1 4.4Å; D253-L341 HydrophobicContact CB-CD2 3.73Å; G257-L341 WeakPolarHBondContact CA-O 3.28Å; F337-L341 HydrophobicContact CD1-CD1 4.04Å; F337-L341 HydrophobicContact CD1-CG 4.18Å; F337-L341 HydrophobicContact CE1-CD1 3.63Å; F337-L341 HydrophobicContact CE1-CD2 4.12Å; F337-L341 HydrophobicContact CE1-CG 3.87Å; F337-L341 HydrophobicContact CE2-CD2 4.36Å; F337-L341 HydrophobicContact CZ-CD1 4.24Å; F337-L341 HydrophobicContact CZ-CD2 3.87Å; F337-L341 HydrophobicContact CZ-CG 4.09Å; F337-L341 PolarHBondContact O-N 3.24Å; Y339-L341 PolarHBondContact O-N 3.47Å
342	M	91.6	Very high	82.5	Confident	23 Å²	23	66.8 Å²	66.8	11%	0.113	38%	0.375	C	S	.	.	H	α-helix	trans	-86.3	-30.6	175.1	-66.2	-176.2	-61.5	0	0	112.3	V167 Y168 K171 P258 G338 Y339 K344 D345	V167-M342 HydrophobicContact CB-CE 4.27Å; V167-M342 HydrophobicContact CG1-CE 3.62Å; V167-M342 HydrophobicContact CG1-SD 4.4Å; Y168-M342 HydrophobicContact CD2-CG 3.91Å; Y168-M342 HydrophobicContact CE2-CG 4.42Å; K171-M342 HydrophobicContact CB-SD 3.53Å; K171-M342 VanDerWaalsContact CB-SD 3.53Å; K171-M342 HydrophobicContact CG-CG 4.37Å; K171-M342 HydrophobicContact CG-SD 3.79Å; P258-M342 HydrophobicContact CG-CG 4.15Å; G338-M342 WeakPolarHBondContact O-CE 3.21Å; G338-M342 WeakPolarHBondContact O-CG 3.34Å; G338-M342 PolarHBondContact O-N 3.36Å; Y339-M342 HydrophobicContact CD1-CE 3.44Å; Y339-M342 VanDerWaalsContact CD1-CE 3.44Å; Y339-M342 HydrophobicContact CE1-CE 4Å; Y339-M342 HydrophobicContact CG-CE 4.24Å; Y339-M342 PolarHBondContact O-N 2.66Å; M342-K344 PolarHBondContact O-N 2.91Å; M342-D345 WeakPolarHBondContact O-CB 3.45Å; M342-D345 PolarHBondContact O-N 2.63Å
343	D	83.8	Confident	81.8	Confident	86 Å²	86	64.9 Å²	64.9	46%	0.46	37%	0.37	S	S	.	.	H	α-helix	trans	-64.4	-27.4	178.3	-68.8	-24.8	0	0	0	112.2	Y339 D345 N346 A347	Y339-D343 PolarHBondContact O-N 2.69Å; D343-D345 VanDerWaalsContact C-N 3.28Å; D343-D345 PolarHBondContact O-N 3.26Å; D343-N346 PolarHBondContact O-N 3.01Å; D343-A347 PolarHBondContact O-N 2.71Å
344	K	71.6	Confident	80.9	Confident	96 Å²	96	67.3 Å²	67.3	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-61.5	-32.5	171.1	-70.3	-176.9	-176.9	-179.5	0	112.9	K256 M342 S348	K256-K344 CarbonylContact O-C 3.58Å; K256-K344 VanDerWaalsContact O-C 3.25Å; K256-K344 WeakPolarHBondContact O-CB 3.48Å; M342-K344 PolarHBondContact O-N 2.91Å; K344-S348 PolarHBondContact O-OG 3.11Å
345	D	60.8	Low	80	Confident	27 Å²	27	68.5 Å²	68.5	14%	0.144	39%	0.391	C	S	.	.	H	α-helix	trans	-67.2	-47.2	175.2	-92.2	-12.2	0	0	0	109.8	K256 G257 P258 M342 D343 A347 S348 S349	K256-D345 PolarHBondContact O-N 2.98Å; G257-D345 VanDerWaalsContact CA-OD1 3.23Å; G257-D345 WeakPolarHBondContact CA-OD1 3.25Å; G257-D345 PolarHBondContact N-OD1 3.08Å; P258-D345 WeakPolarHBondContact CD-OD2 2.86Å; P258-D345 WeakPolarHBondContact CG-OD2 3.36Å; M342-D345 WeakPolarHBondContact O-CB 3.45Å; M342-D345 PolarHBondContact O-N 2.63Å; D343-D345 VanDerWaalsContact C-N 3.28Å; D343-D345 PolarHBondContact O-N 3.26Å; D345-A347 VanDerWaalsContact C-N 3.31Å; D345-A347 PolarHBondContact O-N 3.01Å; D345-S348 PolarHBondContact O-N 2.66Å; D345-S348 VanDerWaalsContact O-N 3.09Å; D345-S348 PolarHBondContact O-OG 3.5Å; D345-S349 PolarHBondContact O-N 3.2Å
346	N	59.4	Low	78.9	Confident	112 Å²	112	67 Å²	67	60%	0.599	38%	0.384	S	S	*	.	H	α-helix	trans	-66.4	-27.7	-177	-70	-21	0	0	0	113.9	D343 S348 S349	D343-N346 PolarHBondContact O-N 3.01Å; N346-S348 PolarHBondContact O-N 2.76Å; N346-S349 PolarHBondContact O-OG 3.21Å
347	A	60.9	Low	77.6	Confident	92 Å²	92	66.4 Å²	66.4	76%	0.76	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.5	176.4	0	0	0	0	0	113.4	D343 D345	D343-A347 PolarHBondContact O-N 2.71Å; D345-A347 VanDerWaalsContact C-N 3.31Å; D345-A347 PolarHBondContact O-N 3.01Å
348	S	52.9	Low	76	Confident	75 Å²	75	70.8 Å²	70.8	52%	0.524	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-5.2	-174.9	62.3	0	0	0	0	114.9	K344 D345 N346	K344-S348 PolarHBondContact O-OG 3.11Å; D345-S348 PolarHBondContact O-N 2.66Å; D345-S348 VanDerWaalsContact O-N 3.09Å; D345-S348 PolarHBondContact O-OG 3.5Å; N346-S348 PolarHBondContact O-N 2.76Å
349	S	50	Low	74.2	Confident	148 Å²	148	77.2 Å²	77.2	100%	1.035	45%	0.447	S	S	*	.			trans	-91.5	0	165.1	57.9	0	0	0	0	110.8	D345 N346	D345-S349 PolarHBondContact O-N 3.2Å; N346-S349 PolarHBondContact O-OG 3.21Å

Retrieved 349 of 349 residues in 148.1 ms (Link to these results)

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