A0A087Y8T7_POEFO Loading...

Tripartite motif containing 62, tandem duplicate 1

AlphaFold DB (A0A3B3U7P0), UniProt , Accession A0A087Y8T7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 475 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	66	Low	242 Å²	242	91.6 Å²	91.6	100%	1.192	51%	0.51	S	S	*	.				0	101	0	-69.1	174.2	-160.4	0	0	106
2	A	37.4	Very low	67.8	Low	104 Å²	104	88.2 Å²	88.2	86%	0.86	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-80.8	121.9	179.4	0	0	0	0	0	107.8	C4	A2-C4 PolarHBondContact O-N 2.98Å
3	C	42.2	Very low	69.4	Low	100 Å²	100	86.4 Å²	86.4	68%	0.676	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-61.1	130.2	175.5	-57.6	0	0	0	0	109.1
4	C	60.8	Low	70.9	Confident	64 Å²	64	83.9 Å²	83.9	43%	0.432	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-75.7	144	177.7	178	0	0	0	0	108.9	A2 K6 D7	A2-C4 PolarHBondContact O-N 2.98Å; C4-K6 VanDerWaalsContact C-N 3.32Å; C4-K6 HydrophobicContact CB-CB 4.26Å; C4-K6 CarbonylContact O-C 3.52Å; C4-K6 VanDerWaalsContact O-CA 3.28Å; C4-K6 WeakPolarHBondContact O-CA 3.37Å; C4-K6 PolarHBondContact O-N 3.43Å; C4-K6 VanDerWaalsContact SG-CA 3.56Å; C4-K6 WeakPolarHBondContact SG-CB 3.31Å; C4-D7 PolarHBondContact N-OD2 3.45Å; C4-D7 PolarHBondContact O-N 3.31Å
5	L	67.1	Low	71.9	Confident	119 Å²	119	87.1 Å²	87.1	62%	0.623	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-57.8	-41.5	178.7	-173.9	69	0	0	0	112.5	D7 E8 Y75	L5-D7 PolarHBondContact O-N 3.5Å; L5-E8 PolarHBondContact O-N 3.42Å; L5-Y75 HydrophobicContact CD2-CD2 4.2Å; L5-Y75 HydrophobicContact CD2-CE2 4.38Å
6	K	72.6	Confident	72.7	Confident	99 Å²	99	85.8 Å²	85.8	43%	0.43	49%	0.487	S	S	.	.	G	3₁₀ helix		37.4	-102.5	115.6	-109.9	-172.5	171.1	-177.2	0	118.6	C4 E8 L9 Y75	C4-K6 VanDerWaalsContact C-N 3.32Å; C4-K6 HydrophobicContact CB-CB 4.26Å; C4-K6 CarbonylContact O-C 3.52Å; C4-K6 VanDerWaalsContact O-CA 3.28Å; C4-K6 WeakPolarHBondContact O-CA 3.37Å; C4-K6 PolarHBondContact O-N 3.43Å; C4-K6 VanDerWaalsContact SG-CA 3.56Å; C4-K6 WeakPolarHBondContact SG-CB 3.31Å; K6-E8 VanDerWaalsContact C-N 3.31Å; K6-L9 PolarHBondContact O-N 3.43Å; K6-Y75 VanDerWaalsContact CB-OH 3.26Å; K6-Y75 WeakPolarHBondContact CB-OH 3.36Å; K6-Y75 HydrophobicContact CG-CE1 4.3Å; K6-Y75 WeakPolarHBondContact CG-OH 3.46Å
7	D	75.1	Confident	73.5	Confident	91 Å²	91	83.3 Å²	83.3	49%	0.487	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-77.6	-23.2	-163.6	-52.7	-39.9	0	0	0	110.8	C4 L5 L9	C4-D7 PolarHBondContact N-OD2 3.45Å; C4-D7 PolarHBondContact O-N 3.31Å; L5-D7 PolarHBondContact O-N 3.5Å; D7-L9 VanDerWaalsContact C-N 3.28Å; D7-L9 PolarHBondContact O-N 3.47Å
8	E	78.8	Confident	74.2	Confident	133 Å²	133	79.9 Å²	79.9	62%	0.621	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-76.6	-10.9	176.9	-60.6	-68.2	160.7	0	0	113.2	L5 K6	L5-E8 PolarHBondContact O-N 3.42Å; K6-E8 VanDerWaalsContact C-N 3.31Å
9	L	84.8	Confident	74.9	Confident	9 Å²	9	83.4 Å²	83.4	5%	0.047	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-109	12.1	-178.2	-62.1	179.7	0	0	0	113.4	K6 D7 I17 Y18 L68 I71 V72 Y75	K6-L9 PolarHBondContact O-N 3.43Å; D7-L9 VanDerWaalsContact C-N 3.28Å; D7-L9 PolarHBondContact O-N 3.47Å; L9-I17 VanDerWaalsContact O-CA 3.32Å; L9-I17 WeakPolarHBondContact O-CA 3.22Å; L9-Y18 WeakPolarHBondContact O-CD2 3.27Å; L9-Y18 PolarHBondContact O-N 3.22Å; L9-Y18 VanDerWaalsContact O-N 3.08Å; L9-L68 HydrophobicContact CD2-CD1 3.95Å; L9-I71 HydrophobicContact CD1-CG2 4.27Å; L9-I71 HydrophobicContact CD2-CG2 3.76Å; L9-V72 HydrophobicContact CD2-CG2 4.31Å; L9-Y75 HydrophobicContact CD1-CD1 3.94Å; L9-Y75 HydrophobicContact CD1-CD2 3.79Å; L9-Y75 HydrophobicContact CD1-CE2 4.44Å; L9-Y75 HydrophobicContact CD1-CG 3.51Å
10	L	86.1	Confident	75.5	Confident	47 Å²	47	83.2 Å²	83.2	25%	0.246	46%	0.461	C	S	.	.	B	Isolated β-bridge	trans	-96.2	137	-177.1	-57.8	179.6	0	0	0	111.8	S12 S16 I17 Y18	L10-S12 PolarHBondContact O-N 3.26Å; L10-S16 WeakPolarHBondContact CA-O 3.3Å; L10-I17 HydrophobicContact CD2-CG1 3.83Å; L10-Y18 VanDerWaalsContact O-CZ 3.29Å; L10-Y18 PolarHBondContact O-OH 3.32Å
11	C	88.6	Confident	76.2	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	44%	0.44	C	S	.	.			trans	-72.6	123.8	168.3	178	0	0	0	0	110.1	I13 C14 L15 S16 Y18 C31	C11-I13 PolarHBondContact O-N 3.06Å; C11-I13 VanDerWaalsContact O-N 3.11Å; C11-C14 VanDerWaalsContact CB-SG 3.56Å; C11-C14 PolarHBondContact O-N 3.16Å; C11-L15 WeakPolarHBondContact O-CA 3.34Å; C11-L15 PolarHBondContact O-N 3.46Å; C11-S16 PolarHBondContact N-O 3.47Å; C11-Y18 HydrophobicContact CB-CD1 3.58Å; C11-Y18 HydrophobicContact CB-CE1 3.56Å; C11-Y18 HydrophobicContact CB-CG 4.45Å; C11-C31 WeakPolarHBondContact CB-SG 3.32Å; C11-C31 PolarHBondContact SG-N 3.35Å; C11-C31 VanDerWaalsContact SG-SG 3.67Å
12	S	88	Confident	78.9	Confident	50 Å²	50	67.8 Å²	67.8	35%	0.35	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17	179.7	54.8	0	0	0	0	114.8	L10 F30 E52	L10-S12 PolarHBondContact O-N 3.26Å; S12-F30 WeakPolarHBondContact OG-CE1 3.22Å; S12-E52 WeakPolarHBondContact CB-OE1 3.48Å; S12-E52 PolarHBondContact OG-OE1 2.89Å
13	I	88.1	Confident	81.4	Confident	65 Å²	65	64 Å²	64	33%	0.333	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-51.1	176.9	-59.8	168.9	0	0	0	111.7	C11 F30 C34 I35 P51	C11-I13 PolarHBondContact O-N 3.06Å; C11-I13 VanDerWaalsContact O-N 3.11Å; I13-F30 HydrophobicContact CD1-CB 4.31Å; I13-F30 HydrophobicContact CD1-CD1 3.54Å; I13-F30 HydrophobicContact CD1-CE1 4.21Å; I13-F30 HydrophobicContact CD1-CG 4.16Å; I13-F30 HydrophobicContact CG1-CD1 3.81Å; I13-F30 HydrophobicContact CG1-CE1 4.23Å; I13-C34 HydrophobicContact CB-CB 3.87Å; I13-C34 HydrophobicContact CD1-CB 3.74Å; I13-C34 HydrophobicContact CG1-CB 4.41Å; I13-C34 HydrophobicContact CG2-CB 3.83Å; I13-I35 HydrophobicContact CD1-CD1 4.44Å; I13-P51 HydrophobicContact CD1-CG 4.1Å; I13-P51 HydrophobicContact CG1-CG 4.39Å
14	C	90.4	Very high	83.4	Confident	52 Å²	52	59.4 Å²	59.4	35%	0.351	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-3.2	-176.6	65.7	0	0	0	0	114	C11 S16	C11-C14 VanDerWaalsContact CB-SG 3.56Å; C11-C14 PolarHBondContact O-N 3.16Å; C14-S16 PolarHBondContact O-N 3.39Å; C14-S16 PolarHBondContact O-OG 2.82Å; C14-S16 VanDerWaalsContact O-OG 3.09Å
15	L	86.2	Confident	84.2	Confident	131 Å²	131	59.6 Å²	59.6	69%	0.686	33%	0.331	S	S	*	.	S	Bend	trans	51.6	25.2	-177.4	-53.2	178.5	0	0	0	113.5	C11	C11-L15 WeakPolarHBondContact O-CA 3.34Å; C11-L15 PolarHBondContact O-N 3.46Å
16	S	85.6	Confident	85.1	Confident	66 Å²	66	54.7 Å²	54.7	46%	0.462	31%	0.307	S	S	.	.	S	Bend	trans	-119.2	159.2	180	-58.4	0	0	0	0	109.4	L10 C11 C14 Y18	L10-S16 WeakPolarHBondContact CA-O 3.3Å; C11-S16 PolarHBondContact N-O 3.47Å; C14-S16 PolarHBondContact O-N 3.39Å; C14-S16 PolarHBondContact O-OG 2.82Å; C14-S16 VanDerWaalsContact O-OG 3.09Å; S16-Y18 PolarHBondContact O-N 3.3Å
17	I	85.1	Confident	85.7	Confident	44 Å²	44	58.3 Å²	58.3	23%	0.226	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-54	136.1	177.6	-63.6	173.5	0	0	0	109.8	L9 L10 Q19 V72 Y75	L9-I17 VanDerWaalsContact O-CA 3.32Å; L9-I17 WeakPolarHBondContact O-CA 3.22Å; L10-I17 HydrophobicContact CD2-CG1 3.83Å; I17-Q19 PolarHBondContact O-N 3.44Å; I17-V72 HydrophobicContact CG2-CB 4.33Å; I17-V72 HydrophobicContact CG2-CG1 3.35Å; I17-V72 HydrophobicContact CG2-CG2 4.2Å; I17-Y75 HydrophobicContact CD1-CD1 4Å; I17-Y75 HydrophobicContact CD1-CE1 3.76Å
18	Y	86.9	Confident	86.3	Confident	23 Å²	23	56.7 Å²	56.7	9%	0.09	32%	0.315	C	S	.	.			trans	-51.7	130	-175.1	-73.1	-68.5	0	0	0	113.3	L9 L10 C11 S16 P21 Y29 L68 V72	L9-Y18 WeakPolarHBondContact O-CD2 3.27Å; L9-Y18 PolarHBondContact O-N 3.22Å; L9-Y18 VanDerWaalsContact O-N 3.08Å; L10-Y18 VanDerWaalsContact O-CZ 3.29Å; L10-Y18 PolarHBondContact O-OH 3.32Å; C11-Y18 HydrophobicContact CB-CD1 3.58Å; C11-Y18 HydrophobicContact CB-CE1 3.56Å; C11-Y18 HydrophobicContact CB-CG 4.45Å; S16-Y18 PolarHBondContact O-N 3.3Å; Y18-P21 HydrophobicContact CD1-CB 4.29Å; Y18-P21 HydrophobicContact CG-CB 4.16Å; Y18-Y29 VanDerWaalsContact CE1-C 3.48Å; Y18-Y29 WeakPolarHBondContact CE1-O 3.34Å; Y18-Y29 PolarHBondContact OH-O 3.15Å; Y18-L68 HydrophobicContact CD2-CD1 4.47Å; Y18-L68 HydrophobicContact CD2-CD2 3.84Å; Y18-L68 HydrophobicContact CD2-CG 4.27Å; Y18-L68 HydrophobicContact CE2-CD2 3.93Å; Y18-L68 HydrophobicContact CG-CD2 4.36Å; Y18-V72 WeakPolarHBondContact O-CG1 3.18Å
19	Q	86.6	Confident	86.9	Confident	146 Å²	146	54.3 Å²	54.3	68%	0.682	30%	0.301	S	S	*	.	S	Bend	trans	-115	118.4	169.3	-69.7	-172.9	-3.9	0	0	108.9	I17 C31	I17-Q19 PolarHBondContact O-N 3.44Å; Q19-C31 PolarHBondContact N-SG 3.31Å; Q19-C31 WeakPolarHBondContact O-CA 3.34Å; Q19-C31 VanDerWaalsContact O-CB 3.25Å; Q19-C31 WeakPolarHBondContact O-CB 3.16Å
20	D	86.6	Confident	87.2	Confident	79 Å²	79	53.9 Å²	53.9	42%	0.422	30%	0.298	S	S	.	.	S	Bend	trans	49.7	64.9	-172.1	-172.8	28.1	0	0	0	111.8	V22 R32	D20-V22 PolarHBondContact O-N 3.37Å; D20-R32 HydrophobicContact CB-CB 4.32Å; D20-R32 PolarHBondContact O-N 3.43Å; D20-R32 WeakPolarHBondContact OD2-CB 3.43Å; D20-R32 WeakPolarHBondContact OD2-CD 3.36Å; D20-R32 IonicContact OD2-CZ 2.8Å; D20-R32 IonicContact OD2-NE 3.81Å; D20-R32 PolarHBondContact OD2-NE 3.11Å
21	P	90.5	Very high	87.5	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.013	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	128.6	-178.6	22.7	-32.4	0	0	0	112	Y18 F30 S65 L68 S69	Y18-P21 HydrophobicContact CD1-CB 4.29Å; Y18-P21 HydrophobicContact CG-CB 4.16Å; P21-F30 CarbonylContact C-O 3.52Å; P21-F30 WeakPolarHBondContact CA-O 3.29Å; P21-S65 PolarHBondContact O-N 3.36Å; P21-L68 HydrophobicContact CB-CB 4.27Å; P21-L68 HydrophobicContact CB-CD2 3.71Å; P21-L68 HydrophobicContact CB-CG 4.03Å; P21-L68 HydrophobicContact CG-CB 3.97Å; P21-L68 HydrophobicContact CG-CD2 4.24Å; P21-L68 HydrophobicContact CG-CG 3.98Å; P21-S69 VanDerWaalsContact CD-OG 3.28Å; P21-S69 WeakPolarHBondContact CD-OG 3.34Å; P21-S69 WeakPolarHBondContact CG-OG 3.2Å
22	V	89.8	Confident	87.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	150.5	177.2	-65.1	0	0	0	0	110.9	D20 Y29 F30 R32 I35 L62 S63	D20-V22 PolarHBondContact O-N 3.37Å; V22-Y29 WeakPolarHBondContact O-CA 2.99Å; V22-F30 WeakPolarHBondContact CG2-O 3.48Å; V22-F30 PolarHBondContact N-O 3.06Å; V22-F30 PolarHBondContact O-N 2.96Å; V22-R32 HydrophobicContact CG1-CB 3.89Å; V22-R32 HydrophobicContact CG1-CG 4.26Å; V22-R32 VanDerWaalsContact CG1-CZ 3.46Å; V22-R32 HydrophobicContact CG2-CB 4.21Å; V22-I35 HydrophobicContact CG2-CG2 3.66Å; V22-L62 HydrophobicContact CB-CB 4.26Å; V22-L62 HydrophobicContact CB-CD2 4.32Å; V22-L62 HydrophobicContact CG1-CB 4.34Å; V22-L62 HydrophobicContact CG2-CB 4.48Å; V22-L62 HydrophobicContact CG2-CD1 4.38Å; V22-L62 HydrophobicContact CG2-CD2 3.85Å; V22-L62 HydrophobicContact CG2-CG 4.47Å; V22-S63 WeakPolarHBondContact CA-O 3.24Å
23	S	89.4	Confident	87.7	Confident	25 Å²	25	61 Å²	61	18%	0.175	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	160.8	168.3	62.9	0	0	0	0	109.7	S63	S23-S63 PolarHBondContact N-O 3.03Å; S23-S63 PolarHBondContact O-N 3.39Å
24	F	83.9	Confident	87.9	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.009	31%	0.311	C	S	.	.			trans	-150.2	103.8	177.7	51.3	-83.6	0	0	0	109.3	C26 F30 I35 W39 C50 F57 P60 L62	F24-C26 PolarHBondContact O-N 3.3Å; F24-C26 PolarHBondContact O-SG 3.02Å; F24-F30 AromaticContact CE1-CD2 3.75Å; F24-F30 HydrophobicContact CE1-CD2 3.75Å; F24-F30 AromaticContact CE1-CE2 3.99Å; F24-F30 HydrophobicContact CE1-CE2 3.99Å; F24-F30 HydrophobicContact CZ-CD2 4.24Å; F24-F30 HydrophobicContact CZ-CE2 4.05Å; F24-I35 HydrophobicContact CD1-CG1 4.31Å; F24-I35 HydrophobicContact CE1-CD1 3.7Å; F24-I35 HydrophobicContact CE1-CG1 3.51Å; F24-I35 HydrophobicContact CZ-CD1 3.66Å; F24-I35 HydrophobicContact CZ-CG1 3.93Å; F24-W39 HydrophobicContact CB-CH2 4.22Å; F24-W39 AromaticContact CD1-CH2 3.67Å; F24-W39 HydrophobicContact CD1-CH2 3.67Å; F24-W39 AromaticContact CD1-CZ2 3.88Å; F24-W39 HydrophobicContact CD1-CZ2 3.88Å; F24-W39 AromaticContact CD2-CH2 3.71Å; F24-W39 HydrophobicContact CD2-CH2 3.71Å; F24-W39 AromaticContact CD2-CZ2 3.49Å; F24-W39 HydrophobicContact CD2-CZ2 3.49Å; F24-W39 VanDerWaalsContact CD2-CZ2 3.49Å; F24-W39 AromaticContact CE1-CH2 3.98Å; F24-W39 HydrophobicContact CE1-CH2 3.98Å; F24-W39 AromaticContact CE1-CZ2 3.74Å; F24-W39 HydrophobicContact CE1-CZ2 3.74Å; F24-W39 HydrophobicContact CE2-CH2 4.04Å; F24-W39 AromaticContact CE2-CZ2 3.36Å; F24-W39 HydrophobicContact CE2-CZ2 3.36Å; F24-W39 AromaticContact CG-CH2 3.56Å; F24-W39 HydrophobicContact CG-CH2 3.56Å; F24-W39 AromaticContact CG-CZ2 3.79Å; F24-W39 HydrophobicContact CG-CZ2 3.79Å; F24-W39 HydrophobicContact CZ-CH2 4.15Å; F24-W39 AromaticContact CZ-CZ2 3.48Å; F24-W39 HydrophobicContact CZ-CZ2 3.48Å; F24-W39 VanDerWaalsContact CZ-CZ2 3.48Å; F24-C50 HydrophobicContact CE2-CB 3.9Å; F24-C50 HydrophobicContact CZ-CB 3.99Å; F24-F57 AromaticContact CD2-CD2 3.91Å; F24-F57 HydrophobicContact CD2-CD2 3.91Å; F24-F57 AromaticContact CD2-CE2 3.84Å; F24-F57 HydrophobicContact CD2-CE2 3.84Å; F24-F57 HydrophobicContact CD2-CZ 4.41Å; F24-F57 AromaticContact CE2-CD2 3.94Å; F24-F57 HydrophobicContact CE2-CD2 3.94Å; F24-F57 AromaticContact CE2-CE2 3.74Å; F24-F57 HydrophobicContact CE2-CE2 3.74Å; F24-P60 HydrophobicContact CB-CB 3.81Å; F24-P60 HydrophobicContact CD2-CB 3.93Å; F24-P60 HydrophobicContact CD2-CG 4.41Å; F24-P60 HydrophobicContact CG-CB 4.15Å; F24-L62 HydrophobicContact CB-CD2 4.18Å; F24-L62 HydrophobicContact CD1-CD2 3.59Å; F24-L62 HydrophobicContact CE1-CD2 4.42Å; F24-L62 HydrophobicContact CG-CD2 4.15Å
25	G	77.5	Confident	87.9	Confident	68 Å²	68	56.4 Å²	56.4	70%	0.701	29%	0.294	S	S	*	.	S	Bend	trans	58.6	3.7	171.8	0	0	0	0	0	117.4
26	C	85.9	Confident	87.9	Confident	17 Å²	17	53 Å²	53	12%	0.115	28%	0.278	C	S	.	.	S	Bend	trans	-141.8	171.4	174.1	65.4	0	0	0	0	110.3	F24 H28 F57	F24-C26 PolarHBondContact O-N 3.3Å; F24-C26 PolarHBondContact O-SG 3.02Å; C26-H28 VanDerWaalsContact C-N 3.32Å; C26-H28 PolarHBondContact O-N 3.3Å; C26-F57 HydrophobicContact CB-CZ 4.13Å
27	E	85.1	Confident	88	Confident	174 Å²	174	54.8 Å²	54.8	81%	0.813	28%	0.279	S	S	*	.	S	Bend	trans	-86.6	3.8	-173	-60.7	-174.8	165.2	0	0	114.3	Y29	E27-Y29 WeakPolarHBondContact O-CE2 3.48Å
28	H	89.2	Confident	88	Confident	58 Å²	58	55.6 Å²	55.6	27%	0.269	28%	0.282	S	S	.	.			trans	-92	143.6	179.2	-55	105.1	0	0	0	111.5	C26 F30 E52 C53	C26-H28 VanDerWaalsContact C-N 3.32Å; C26-H28 PolarHBondContact O-N 3.3Å; H28-F30 HydrophobicContact CB-CE2 3.73Å; H28-F30 HydrophobicContact CB-CZ 3.9Å; H28-E52 HydrophobicContact CB-CB 4.26Å; H28-E52 IonicContact CD2-OE2 3.83Å; H28-E52 PolarHBondContact CD2-OE2 2.7Å; H28-E52 IonicContact CG-OE2 3.35Å; H28-E52 IonicContact NE2-OE2 3.36Å; H28-C53 VanDerWaalsContact CE1-CB 3.47Å; H28-C53 WeakPolarHBondContact CE1-CB 3.33Å
29	Y	90.6	Very high	87.9	Confident	82 Å²	82	55.4 Å²	55.4	32%	0.322	28%	0.281	S	S	.	.			trans	-114.5	144.5	-178.4	-61.4	-88.5	0	0	0	110.7	Y18 V22 E27 L68	Y18-Y29 VanDerWaalsContact CE1-C 3.48Å; Y18-Y29 WeakPolarHBondContact CE1-O 3.34Å; Y18-Y29 PolarHBondContact OH-O 3.15Å; V22-Y29 WeakPolarHBondContact O-CA 2.99Å; E27-Y29 WeakPolarHBondContact O-CE2 3.48Å; Y29-L68 HydrophobicContact CD1-CD2 3.89Å; Y29-L68 HydrophobicContact CD2-CD2 4.02Å; Y29-L68 HydrophobicContact CG-CD2 3.56Å
30	F	91.9	Very high	87.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.4	178.4	-55.6	-85.3	0	0	0	109.5	S12 I13 P21 V22 F24 H28 R32 I35 P51 E52	S12-F30 WeakPolarHBondContact OG-CE1 3.22Å; I13-F30 HydrophobicContact CD1-CB 4.31Å; I13-F30 HydrophobicContact CD1-CD1 3.54Å; I13-F30 HydrophobicContact CD1-CE1 4.21Å; I13-F30 HydrophobicContact CD1-CG 4.16Å; I13-F30 HydrophobicContact CG1-CD1 3.81Å; I13-F30 HydrophobicContact CG1-CE1 4.23Å; P21-F30 CarbonylContact C-O 3.52Å; P21-F30 WeakPolarHBondContact CA-O 3.29Å; V22-F30 WeakPolarHBondContact CG2-O 3.48Å; V22-F30 PolarHBondContact N-O 3.06Å; V22-F30 PolarHBondContact O-N 2.96Å; F24-F30 AromaticContact CE1-CD2 3.75Å; F24-F30 HydrophobicContact CE1-CD2 3.75Å; F24-F30 AromaticContact CE1-CE2 3.99Å; F24-F30 HydrophobicContact CE1-CE2 3.99Å; F24-F30 HydrophobicContact CZ-CD2 4.24Å; F24-F30 HydrophobicContact CZ-CE2 4.05Å; H28-F30 HydrophobicContact CB-CE2 3.73Å; H28-F30 HydrophobicContact CB-CZ 3.9Å; F30-R32 PolarHBondContact O-N 3.03Å; F30-I35 HydrophobicContact CB-CB 3.93Å; F30-I35 HydrophobicContact CB-CG2 4.38Å; F30-I35 HydrophobicContact CD2-CD1 4.18Å; F30-I35 HydrophobicContact CG-CB 4.41Å; F30-I35 HydrophobicContact CG-CD1 4.31Å; F30-P51 HydrophobicContact CE1-CB 4.04Å; F30-P51 HydrophobicContact CE1-CG 4.04Å; F30-P51 HydrophobicContact CZ-CB 4.29Å; F30-P51 HydrophobicContact CZ-CG 4.23Å; F30-E52 HydrophobicContact CE1-CG 3.96Å; F30-E52 HydrophobicContact CZ-CB 4.19Å; F30-E52 HydrophobicContact CZ-CG 3.83Å
31	C	92.5	Very high	87.1	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.034	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	136.2	166.1	-55.2	0	0	0	0	109	C11 Q19 K33 C34 I35	C11-C31 WeakPolarHBondContact CB-SG 3.32Å; C11-C31 PolarHBondContact SG-N 3.35Å; C11-C31 VanDerWaalsContact SG-SG 3.67Å; Q19-C31 PolarHBondContact N-SG 3.31Å; Q19-C31 WeakPolarHBondContact O-CA 3.34Å; Q19-C31 VanDerWaalsContact O-CB 3.25Å; Q19-C31 WeakPolarHBondContact O-CB 3.16Å; C31-K33 PolarHBondContact O-N 3.01Å; C31-K33 VanDerWaalsContact O-N 3.16Å; C31-C34 HydrophobicContact CB-CB 4.02Å; C31-C34 WeakPolarHBondContact O-CB 3.5Å; C31-C34 PolarHBondContact O-N 3.05Å; C31-I35 PolarHBondContact O-N 2.92Å; C31-I35 VanDerWaalsContact O-N 3.11Å
32	R	90.4	Very high	86.2	Confident	74 Å²	74	60.6 Å²	60.6	28%	0.279	31%	0.305	S	S	.	.	H	α-helix	trans	-49.9	-45.9	179.9	-177.5	178.9	-63.9	-84.5	-3	112.7	D20 V22 F30 I35 T36 L62	D20-R32 HydrophobicContact CB-CB 4.32Å; D20-R32 PolarHBondContact O-N 3.43Å; D20-R32 WeakPolarHBondContact OD2-CB 3.43Å; D20-R32 WeakPolarHBondContact OD2-CD 3.36Å; D20-R32 IonicContact OD2-CZ 2.8Å; D20-R32 IonicContact OD2-NE 3.81Å; D20-R32 PolarHBondContact OD2-NE 3.11Å; V22-R32 HydrophobicContact CG1-CB 3.89Å; V22-R32 HydrophobicContact CG1-CG 4.26Å; V22-R32 VanDerWaalsContact CG1-CZ 3.46Å; V22-R32 HydrophobicContact CG2-CB 4.21Å; F30-R32 PolarHBondContact O-N 3.03Å; R32-I35 WeakPolarHBondContact O-CG2 3.28Å; R32-T36 VanDerWaalsContact O-CB 3.28Å; R32-T36 WeakPolarHBondContact O-CB 3.21Å; R32-T36 PolarHBondContact O-N 3.35Å; R32-T36 PolarHBondContact O-OG1 3.38Å; R32-L62 HydrophobicContact CG-CD1 4.2Å
33	K	90.5	Very high	84.9	Confident	167 Å²	167	68.3 Å²	68.3	73%	0.726	34%	0.341	S	S	*	.	H	α-helix	trans	-61	-46.5	178	-68.8	-175.6	179.6	177.7	0	111.9	C31 I35 T36 E37	C31-K33 PolarHBondContact O-N 3.01Å; C31-K33 VanDerWaalsContact O-N 3.16Å; K33-I35 PolarHBondContact O-N 3.23Å; K33-T36 PolarHBondContact O-N 3.37Å; K33-E37 VanDerWaalsContact O-CB 3.3Å; K33-E37 WeakPolarHBondContact O-CB 3.49Å; K33-E37 PolarHBondContact O-N 3.31Å
34	C	92	Very high	83.4	Confident	22 Å²	22	72.5 Å²	72.5	15%	0.149	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-46.8	-176.7	-65.7	0	0	0	0	112.3	I13 C31 H38	I13-C34 HydrophobicContact CB-CB 3.87Å; I13-C34 HydrophobicContact CD1-CB 3.74Å; I13-C34 HydrophobicContact CG1-CB 4.41Å; I13-C34 HydrophobicContact CG2-CB 3.83Å; C31-C34 HydrophobicContact CB-CB 4.02Å; C31-C34 WeakPolarHBondContact O-CB 3.5Å; C31-C34 PolarHBondContact O-N 3.05Å; C34-H38 WeakPolarHBondContact O-CB 3.39Å; C34-H38 PolarHBondContact O-N 3.45Å
35	I	89.1	Confident	82.2	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-73.3	-36.9	-180	-167.6	71.5	0	0	0	112.3	I13 V22 F24 F30 C31 R32 K33 E37 H38 W39 P51 L62	I13-I35 HydrophobicContact CD1-CD1 4.44Å; V22-I35 HydrophobicContact CG2-CG2 3.66Å; F24-I35 HydrophobicContact CD1-CG1 4.31Å; F24-I35 HydrophobicContact CE1-CD1 3.7Å; F24-I35 HydrophobicContact CE1-CG1 3.51Å; F24-I35 HydrophobicContact CZ-CD1 3.66Å; F24-I35 HydrophobicContact CZ-CG1 3.93Å; F30-I35 HydrophobicContact CB-CB 3.93Å; F30-I35 HydrophobicContact CB-CG2 4.38Å; F30-I35 HydrophobicContact CD2-CD1 4.18Å; F30-I35 HydrophobicContact CG-CB 4.41Å; F30-I35 HydrophobicContact CG-CD1 4.31Å; C31-I35 PolarHBondContact O-N 2.92Å; C31-I35 VanDerWaalsContact O-N 3.11Å; R32-I35 WeakPolarHBondContact O-CG2 3.28Å; K33-I35 PolarHBondContact O-N 3.23Å; I35-E37 VanDerWaalsContact C-N 3.32Å; I35-E37 PolarHBondContact O-N 3.22Å; I35-H38 PolarHBondContact O-N 3.47Å; I35-W39 HydrophobicContact CD1-CD2 4.49Å; I35-W39 HydrophobicContact CD1-CZ2 4.11Å; I35-W39 HydrophobicContact CG1-CD2 3.94Å; I35-W39 HydrophobicContact CG1-CE3 4.27Å; I35-W39 HydrophobicContact CG1-CH2 4.03Å; I35-W39 HydrophobicContact CG1-CZ2 3.69Å; I35-W39 HydrophobicContact CG1-CZ3 4.31Å; I35-W39 PolarHBondContact O-N 3.05Å; I35-P51 HydrophobicContact CD1-CG 3.97Å; I35-L62 HydrophobicContact CG2-CD1 4.01Å; I35-L62 HydrophobicContact CG2-CD2 3.78Å
36	T	87.1	Confident	81.6	Confident	59 Å²	59	80.3 Å²	80.3	36%	0.362	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-41.9	176.7	-52.7	0	0	0	0	110.4	R32 K33 S40	R32-T36 VanDerWaalsContact O-CB 3.28Å; R32-T36 WeakPolarHBondContact O-CB 3.21Å; R32-T36 PolarHBondContact O-N 3.35Å; R32-T36 PolarHBondContact O-OG1 3.38Å; K33-T36 PolarHBondContact O-N 3.37Å; T36-S40 WeakPolarHBondContact O-CB 3.4Å; T36-S40 PolarHBondContact O-N 3.17Å; T36-S40 PolarHBondContact O-OG 3.18Å
37	E	87.4	Confident	80.9	Confident	103 Å²	103	83.4 Å²	83.4	48%	0.481	42%	0.415	S	S	.	.	H	α-helix	trans	-68.7	-39.8	176.9	-169.2	179.1	174.3	0	0	111.9	K33 I35 W39 S40 R41	K33-E37 VanDerWaalsContact O-CB 3.3Å; K33-E37 WeakPolarHBondContact O-CB 3.49Å; K33-E37 PolarHBondContact O-N 3.31Å; I35-E37 VanDerWaalsContact C-N 3.32Å; I35-E37 PolarHBondContact O-N 3.22Å; E37-W39 VanDerWaalsContact C-N 3.33Å; E37-W39 PolarHBondContact O-N 3.02Å; E37-S40 PolarHBondContact O-N 3.28Å; E37-R41 WeakPolarHBondContact O-CG 3.5Å; E37-R41 PolarHBondContact O-N 3.02Å; E37-R41 IonicContact OE1-CZ 3.58Å; E37-R41 IonicContact OE1-NE 3.71Å; E37-R41 IonicContact OE1-NH2 2.84Å; E37-R41 PolarHBondContact OE1-NH2 2.9Å
38	H	84.6	Confident	80.8	Confident	61 Å²	61	79 Å²	79	28%	0.282	39%	0.391	S	S	.	.	H	α-helix	trans	-57.3	-46	175.4	-177.3	73.3	0	0	0	111.9	C34 I35 R41 Q42 D49	C34-H38 WeakPolarHBondContact O-CB 3.39Å; C34-H38 PolarHBondContact O-N 3.45Å; I35-H38 PolarHBondContact O-N 3.47Å; H38-R41 PolarHBondContact O-N 3.11Å; H38-Q42 PolarHBondContact NE2-NE2 3.48Å; H38-D49 IonicContact NE2-OD1 3.8Å
39	W	86.3	Confident	80.6	Confident	19 Å²	19	78.3 Å²	78.3	7%	0.072	39%	0.389	C	S	.	.	H	α-helix	trans	-72.6	-31.3	176.4	-64.9	-25.9	0	0	0	113.9	F24 I35 E37 R41 Q42 R48 D49 P60 L62	F24-W39 HydrophobicContact CB-CH2 4.22Å; F24-W39 AromaticContact CD1-CH2 3.67Å; F24-W39 HydrophobicContact CD1-CH2 3.67Å; F24-W39 AromaticContact CD1-CZ2 3.88Å; F24-W39 HydrophobicContact CD1-CZ2 3.88Å; F24-W39 AromaticContact CD2-CH2 3.71Å; F24-W39 HydrophobicContact CD2-CH2 3.71Å; F24-W39 AromaticContact CD2-CZ2 3.49Å; F24-W39 HydrophobicContact CD2-CZ2 3.49Å; F24-W39 VanDerWaalsContact CD2-CZ2 3.49Å; F24-W39 AromaticContact CE1-CH2 3.98Å; F24-W39 HydrophobicContact CE1-CH2 3.98Å; F24-W39 AromaticContact CE1-CZ2 3.74Å; F24-W39 HydrophobicContact CE1-CZ2 3.74Å; F24-W39 HydrophobicContact CE2-CH2 4.04Å; F24-W39 AromaticContact CE2-CZ2 3.36Å; F24-W39 HydrophobicContact CE2-CZ2 3.36Å; F24-W39 AromaticContact CG-CH2 3.56Å; F24-W39 HydrophobicContact CG-CH2 3.56Å; F24-W39 AromaticContact CG-CZ2 3.79Å; F24-W39 HydrophobicContact CG-CZ2 3.79Å; F24-W39 HydrophobicContact CZ-CH2 4.15Å; F24-W39 AromaticContact CZ-CZ2 3.48Å; F24-W39 HydrophobicContact CZ-CZ2 3.48Å; F24-W39 VanDerWaalsContact CZ-CZ2 3.48Å; I35-W39 HydrophobicContact CD1-CD2 4.49Å; I35-W39 HydrophobicContact CD1-CZ2 4.11Å; I35-W39 HydrophobicContact CG1-CD2 3.94Å; I35-W39 HydrophobicContact CG1-CE3 4.27Å; I35-W39 HydrophobicContact CG1-CH2 4.03Å; I35-W39 HydrophobicContact CG1-CZ2 3.69Å; I35-W39 HydrophobicContact CG1-CZ3 4.31Å; I35-W39 PolarHBondContact O-N 3.05Å; E37-W39 VanDerWaalsContact C-N 3.33Å; E37-W39 PolarHBondContact O-N 3.02Å; W39-R41 PolarHBondContact O-N 3.38Å; W39-Q42 WeakPolarHBondContact O-CB 3.44Å; W39-Q42 PolarHBondContact O-N 2.95Å; W39-R48 HydrophobicContact CB-CG 4.33Å; W39-R48 HydrophobicContact CD2-CB 4.05Å; W39-R48 VanDerWaalsContact CD2-CD 3.47Å; W39-R48 HydrophobicContact CD2-CG 4.19Å; W39-R48 HydrophobicContact CG-CB 4.03Å; W39-R48 HydrophobicContact CG-CG 4.03Å; W39-R48 HydrophobicContact CZ2-CB 4.23Å; W39-D49 PolarHBondContact NE1-O 2.66Å; W39-P60 HydrophobicContact CH2-CB 3.79Å; W39-P60 HydrophobicContact CH2-CG 3.34Å; W39-P60 HydrophobicContact CZ2-CB 4.31Å; W39-P60 HydrophobicContact CZ2-CG 3.64Å; W39-P60 HydrophobicContact CZ3-CG 3.89Å; W39-L62 HydrophobicContact CH2-CD2 3.5Å; W39-L62 HydrophobicContact CH2-CG 4.29Å; W39-L62 HydrophobicContact CZ3-CD1 4.2Å; W39-L62 HydrophobicContact CZ3-CD2 3.5Å; W39-L62 HydrophobicContact CZ3-CG 3.84Å
40	S	79.9	Confident	80.5	Confident	91 Å²	91	74.4 Å²	74.4	64%	0.636	37%	0.374	S	S	*	.	H	α-helix	trans	-66.5	-20.7	177.3	-56.3	0	0	0	0	112.6	T36 E37 Q42	T36-S40 WeakPolarHBondContact O-CB 3.4Å; T36-S40 PolarHBondContact O-N 3.17Å; T36-S40 PolarHBondContact O-OG 3.18Å; E37-S40 PolarHBondContact O-N 3.28Å; S40-Q42 VanDerWaalsContact C-N 3.29Å
41	R	75.6	Confident	80.2	Confident	193 Å²	193	76.4 Å²	76.4	73%	0.728	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-1.6	174.3	-66	174.6	-174.5	-161.4	3.7	113.2	E37 H38 W39	E37-R41 WeakPolarHBondContact O-CG 3.5Å; E37-R41 PolarHBondContact O-N 3.02Å; E37-R41 IonicContact OE1-CZ 3.58Å; E37-R41 IonicContact OE1-NE 3.71Å; E37-R41 IonicContact OE1-NH2 2.84Å; E37-R41 PolarHBondContact OE1-NH2 2.9Å; H38-R41 PolarHBondContact O-N 3.11Å; W39-R41 PolarHBondContact O-N 3.38Å
42	Q	71.4	Confident	80	Confident	53 Å²	53	80 Å²	80	25%	0.248	40%	0.403	C	S	.	.	S	Bend	trans	-98.3	156	176.9	-58.6	-178.8	4.8	0	0	110.7	H38 W39 S40 D49	H38-Q42 PolarHBondContact NE2-NE2 3.48Å; W39-Q42 WeakPolarHBondContact O-CB 3.44Å; W39-Q42 PolarHBondContact O-N 2.95Å; S40-Q42 VanDerWaalsContact C-N 3.29Å; Q42-D49 PolarHBondContact NE2-OD1 2.88Å
43	E	62.8	Low	79.8	Confident	161 Å²	161	79 Å²	79	75%	0.752	41%	0.406	S	S	*	.			trans	-54.8	135.9	-177.9	-75.6	-77.5	156.1	0	0	112	H45 G46	E43-H45 PolarHBondContact O-N 3.18Å; E43-G46 PolarHBondContact O-N 3.45Å
44	P	58.5	Low	79.5	Confident	113 Å²	113	80.6 Å²	80.6	73%	0.734	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.7	-169.8	-24.8	32.7	0	0	0	116.7
45	H	57.4	Low	79.2	Confident	193 Å²	193	86.5 Å²	86.5	89%	0.894	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	17.7	-178.1	-62.3	-18.2	0	0	0	112.9	E43	E43-H45 PolarHBondContact O-N 3.18Å
46	G	64.9	Low	78.9	Confident	42 Å²	42	90.5 Å²	90.5	43%	0.433	45%	0.452	S	S	.	.	S	Bend	trans	-96.3	157.8	177.9	0	0	0	0	0	114.2	E43	E43-G46 PolarHBondContact O-N 3.45Å
47	T	72.1	Confident	78.7	Confident	81 Å²	81	89.3 Å²	89.3	50%	0.497	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-67.1	133.5	171.7	54.9	0	0	0	0	110.7	F57	T47-F57 CarbonylContact C-O 3.59Å; T47-F57 WeakPolarHBondContact CA-O 3.35Å
48	R	81.9	Confident	78.1	Confident	82 Å²	82	88.8 Å²	88.8	31%	0.309	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.6	178.6	-60.6	-171.4	-169.8	132.3	7.9	110.6	W39 T56 F57 D59 P60	W39-R48 HydrophobicContact CB-CG 4.33Å; W39-R48 HydrophobicContact CD2-CB 4.05Å; W39-R48 VanDerWaalsContact CD2-CD 3.47Å; W39-R48 HydrophobicContact CD2-CG 4.19Å; W39-R48 HydrophobicContact CG-CB 4.03Å; W39-R48 HydrophobicContact CG-CG 4.03Å; W39-R48 HydrophobicContact CZ2-CB 4.23Å; R48-T56 CarbonylContact O-C 3.57Å; R48-T56 WeakPolarHBondContact O-CA 3.33Å; R48-F57 PolarHBondContact N-O 3.5Å; R48-F57 PolarHBondContact O-N 3.05Å; R48-D59 IonicContact CZ-OD1 2.79Å; R48-D59 IonicContact NH1-OD1 2.7Å; R48-D59 PolarHBondContact NH1-OD1 3.31Å; R48-D59 IonicContact NH2-OD1 3.42Å; R48-D59 PolarHBondContact NH2-OD1 2.88Å; R48-P60 HydrophobicContact CB-CG 3.95Å; R48-P60 HydrophobicContact CG-CG 4.41Å
49	D	85.6	Confident	77.7	Confident	43 Å²	43	91.4 Å²	91.4	23%	0.23	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	157.9	179	70.8	-42.5	0	0	0	113.9	H38 W39 Q42 R55 T56	H38-D49 IonicContact NE2-OD1 3.8Å; W39-D49 PolarHBondContact NE1-O 2.66Å; Q42-D49 PolarHBondContact NE2-OD1 2.88Å; D49-R55 WeakPolarHBondContact CA-O 3.49Å; D49-T56 HydrophobicContact CB-CG2 4.03Å
50	C	88.4	Confident	77.3	Confident	0 Å²	0	91.2 Å²	91.2	0%	0	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-86.2	124.6	170.3	176.4	0	0	0	0	110.3	F24 E52 C53 R54 R55 F57	F24-C50 HydrophobicContact CE2-CB 3.9Å; F24-C50 HydrophobicContact CZ-CB 3.99Å; C50-E52 PolarHBondContact O-N 3.18Å; C50-E52 VanDerWaalsContact O-N 3.13Å; C50-C53 VanDerWaalsContact SG-SG 3.61Å; C50-R54 WeakPolarHBondContact O-CA 3.28Å; C50-R54 PolarHBondContact O-N 3.31Å; C50-R55 PolarHBondContact N-O 3.21Å; C50-F57 HydrophobicContact CB-CE2 4.3Å
51	P	86.8	Confident	77.5	Confident	42 Å²	42	94 Å²	94	27%	0.273	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.9	-179	-28.6	35.8	0	0	0	115.4	I13 F30 I35	I13-P51 HydrophobicContact CD1-CG 4.1Å; I13-P51 HydrophobicContact CG1-CG 4.39Å; F30-P51 HydrophobicContact CE1-CB 4.04Å; F30-P51 HydrophobicContact CE1-CG 4.04Å; F30-P51 HydrophobicContact CZ-CB 4.29Å; F30-P51 HydrophobicContact CZ-CG 4.23Å; I35-P51 HydrophobicContact CD1-CG 3.97Å
52	E	87.6	Confident	78	Confident	81 Å²	81	86.6 Å²	86.6	38%	0.379	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-49.2	-176.7	-73.4	-177.3	-149.2	0	0	112.7	S12 H28 F30 C50	S12-E52 WeakPolarHBondContact CB-OE1 3.48Å; S12-E52 PolarHBondContact OG-OE1 2.89Å; H28-E52 HydrophobicContact CB-CB 4.26Å; H28-E52 IonicContact CD2-OE2 3.83Å; H28-E52 PolarHBondContact CD2-OE2 2.7Å; H28-E52 IonicContact CG-OE2 3.35Å; H28-E52 IonicContact NE2-OE2 3.36Å; F30-E52 HydrophobicContact CE1-CG 3.96Å; F30-E52 HydrophobicContact CZ-CB 4.19Å; F30-E52 HydrophobicContact CZ-CG 3.83Å; C50-E52 PolarHBondContact O-N 3.18Å; C50-E52 VanDerWaalsContact O-N 3.13Å
53	C	86.9	Confident	78.8	Confident	52 Å²	52	87.1 Å²	87.1	35%	0.351	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-4	-177.1	66.8	0	0	0	0	115.4	H28 C50 R55	H28-C53 VanDerWaalsContact CE1-CB 3.47Å; H28-C53 WeakPolarHBondContact CE1-CB 3.33Å; C50-C53 VanDerWaalsContact SG-SG 3.61Å; C53-R55 PolarHBondContact O-N 3.36Å
54	R	84.3	Confident	79.9	Confident	202 Å²	202	83.1 Å²	83.1	76%	0.762	45%	0.451	S	S	*	.			trans	57.4	16.8	179.8	-53.2	-176.7	-176.5	-177.5	0.2	115	C50	C50-R54 WeakPolarHBondContact O-CA 3.28Å; C50-R54 PolarHBondContact O-N 3.31Å
55	R	85.3	Confident	81.2	Confident	146 Å²	146	78.6 Å²	78.6	55%	0.551	42%	0.422	S	S	*	.			trans	-69.6	132.1	173.5	-171.7	177.1	-70.9	167.7	-1.3	109.1	D49 C50 C53 F57	D49-R55 WeakPolarHBondContact CA-O 3.49Å; C50-R55 PolarHBondContact N-O 3.21Å; C53-R55 PolarHBondContact O-N 3.36Å; R55-F57 HydrophobicContact CB-CE2 4.05Å; R55-F57 HydrophobicContact CB-CZ 4.11Å; R55-F57 HydrophobicContact CG-CE1 4.34Å; R55-F57 HydrophobicContact CG-CE2 4.11Å; R55-F57 HydrophobicContact CG-CZ 3.82Å; R55-F57 WeakPolarHBondContact O-CD2 3.47Å; R55-F57 WeakPolarHBondContact O-CE2 3.34Å
56	T	82.4	Confident	82.4	Confident	84 Å²	84	75.5 Å²	75.5	52%	0.515	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	144.7	-178.7	51	0	0	0	0	112	R48 D49	R48-T56 CarbonylContact O-C 3.57Å; R48-T56 WeakPolarHBondContact O-CA 3.33Å; D49-T56 HydrophobicContact CB-CG2 4.03Å
57	F	81.9	Confident	83.3	Confident	34 Å²	34	81.8 Å²	81.8	15%	0.149	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.6	-176.4	-58.1	-87	0	0	0	109.8	F24 C26 T47 R48 C50 R55 P60	F24-F57 AromaticContact CD2-CD2 3.91Å; F24-F57 HydrophobicContact CD2-CD2 3.91Å; F24-F57 AromaticContact CD2-CE2 3.84Å; F24-F57 HydrophobicContact CD2-CE2 3.84Å; F24-F57 HydrophobicContact CD2-CZ 4.41Å; F24-F57 AromaticContact CE2-CD2 3.94Å; F24-F57 HydrophobicContact CE2-CD2 3.94Å; F24-F57 AromaticContact CE2-CE2 3.74Å; F24-F57 HydrophobicContact CE2-CE2 3.74Å; C26-F57 HydrophobicContact CB-CZ 4.13Å; T47-F57 CarbonylContact C-O 3.59Å; T47-F57 WeakPolarHBondContact CA-O 3.35Å; R48-F57 PolarHBondContact N-O 3.5Å; R48-F57 PolarHBondContact O-N 3.05Å; C50-F57 HydrophobicContact CB-CE2 4.3Å; R55-F57 HydrophobicContact CB-CE2 4.05Å; R55-F57 HydrophobicContact CB-CZ 4.11Å; R55-F57 HydrophobicContact CG-CE1 4.34Å; R55-F57 HydrophobicContact CG-CE2 4.11Å; R55-F57 HydrophobicContact CG-CZ 3.82Å; R55-F57 WeakPolarHBondContact O-CD2 3.47Å; R55-F57 WeakPolarHBondContact O-CE2 3.34Å; F57-P60 HydrophobicContact CB-CB 3.88Å; F57-P60 HydrophobicContact CB-CG 3.78Å; F57-P60 HydrophobicContact CG-CB 4.28Å
58	A	76.4	Confident	83.8	Confident	92 Å²	92	79 Å²	79	76%	0.76	41%	0.409	S	S	*	.	S	Bend	trans	-72	-47.8	-177.7	0	0	0	0	0	112.4
59	D	75.1	Confident	83.9	Confident	115 Å²	115	76.6 Å²	76.6	62%	0.615	41%	0.405	S	S	*	.	S	Bend	trans	-150.5	81.6	171.5	-166	17	0	0	0	111	R48 L61	R48-D59 IonicContact CZ-OD1 2.79Å; R48-D59 IonicContact NH1-OD1 2.7Å; R48-D59 PolarHBondContact NH1-OD1 3.31Å; R48-D59 IonicContact NH2-OD1 3.42Å; R48-D59 PolarHBondContact NH2-OD1 2.88Å; D59-L61 PolarHBondContact O-N 2.65Å
60	P	78.8	Confident	83.6	Confident	15 Å²	15	78.2 Å²	78.2	10%	0.097	41%	0.414	C	S	.	.			trans	-71.8	126.8	-176.9	24.8	-32.1	0	0	0	112.4	F24 W39 R48 F57	F24-P60 HydrophobicContact CB-CB 3.81Å; F24-P60 HydrophobicContact CD2-CB 3.93Å; F24-P60 HydrophobicContact CD2-CG 4.41Å; F24-P60 HydrophobicContact CG-CB 4.15Å; W39-P60 HydrophobicContact CH2-CB 3.79Å; W39-P60 HydrophobicContact CH2-CG 3.34Å; W39-P60 HydrophobicContact CZ2-CB 4.31Å; W39-P60 HydrophobicContact CZ2-CG 3.64Å; W39-P60 HydrophobicContact CZ3-CG 3.89Å; R48-P60 HydrophobicContact CB-CG 3.95Å; R48-P60 HydrophobicContact CG-CG 4.41Å; F57-P60 HydrophobicContact CB-CB 3.88Å; F57-P60 HydrophobicContact CB-CG 3.78Å; F57-P60 HydrophobicContact CG-CB 4.28Å
61	L	82.8	Confident	83.3	Confident	151 Å²	151	82.5 Å²	82.5	79%	0.791	44%	0.436	S	S	*	.			trans	-81.3	121.2	168.7	-79.6	152.3	0	0	0	110.5	D59 S63	D59-L61 PolarHBondContact O-N 2.65Å; L61-S63 PolarHBondContact O-N 2.89Å
62	L	87.5	Confident	83	Confident	36 Å²	36	81.1 Å²	81.1	19%	0.188	43%	0.426	C	S	.	.			trans	-72.9	106.8	177.6	-68.1	179.8	0	0	0	111.1	V22 F24 R32 I35 W39	V22-L62 HydrophobicContact CB-CB 4.26Å; V22-L62 HydrophobicContact CB-CD2 4.32Å; V22-L62 HydrophobicContact CG1-CB 4.34Å; V22-L62 HydrophobicContact CG2-CB 4.48Å; V22-L62 HydrophobicContact CG2-CD1 4.38Å; V22-L62 HydrophobicContact CG2-CD2 3.85Å; V22-L62 HydrophobicContact CG2-CG 4.47Å; F24-L62 HydrophobicContact CB-CD2 4.18Å; F24-L62 HydrophobicContact CD1-CD2 3.59Å; F24-L62 HydrophobicContact CE1-CD2 4.42Å; F24-L62 HydrophobicContact CG-CD2 4.15Å; R32-L62 HydrophobicContact CG-CD1 4.2Å; I35-L62 HydrophobicContact CG2-CD1 4.01Å; I35-L62 HydrophobicContact CG2-CD2 3.78Å; W39-L62 HydrophobicContact CH2-CD2 3.5Å; W39-L62 HydrophobicContact CH2-CG 4.29Å; W39-L62 HydrophobicContact CZ3-CD1 4.2Å; W39-L62 HydrophobicContact CZ3-CD2 3.5Å; W39-L62 HydrophobicContact CZ3-CG 3.84Å
63	S	86.5	Confident	82.6	Confident	64 Å²	64	83.6 Å²	83.6	45%	0.448	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	117.1	178.4	-61.9	0	0	0	0	110.3	V22 S23 L61	V22-S63 WeakPolarHBondContact CA-O 3.24Å; S23-S63 PolarHBondContact N-O 3.03Å; S23-S63 PolarHBondContact O-N 3.39Å; L61-S63 PolarHBondContact O-N 2.89Å
64	P	87.3	Confident	82	Confident	77 Å²	77	89.9 Å²	89.9	50%	0.5	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	137	176.3	0.8	7.3	0	0	0	111.7
65	S	85.4	Confident	81.5	Confident	18 Å²	18	82.4 Å²	82.4	13%	0.126	43%	0.426	C	S	.	.			trans	-97.1	90.6	174.4	-174.6	0	0	0	0	110.8	P21 K67 L68 S69	P21-S65 PolarHBondContact O-N 3.36Å; S65-K67 PolarHBondContact O-N 2.89Å; S65-L68 PolarHBondContact O-N 3.15Å; S65-L68 WeakPolarHBondContact OG-CB 3.28Å; S65-L68 PolarHBondContact OG-N 3.26Å; S65-S69 PolarHBondContact O-N 2.97Å; S65-S69 PolarHBondContact O-OG 2.86Å; S65-S69 VanDerWaalsContact O-OG 3.12Å
66	L	83.3	Confident	80.7	Confident	129 Å²	129	79 Å²	79	68%	0.675	43%	0.425	S	S	*	.	H	α-helix	trans	-58.5	-33.8	177.1	-68.8	171.3	0	0	0	112.4	N70	L66-N70 WeakPolarHBondContact O-CB 3.43Å; L66-N70 PolarHBondContact O-N 3.45Å; L66-N70 PolarHBondContact O-ND2 2.97Å; L66-N70 PolarHBondContact O-OD1 3.25Å
67	K	82.5	Confident	79.9	Confident	173 Å²	173	78.6 Å²	78.6	75%	0.752	43%	0.43	S	S	*	.	H	α-helix	trans	-64.7	-47.4	177	-74.1	-177.6	-179.9	179.2	0	111.7	S65 N70 I71	S65-K67 PolarHBondContact O-N 2.89Å; K67-N70 PolarHBondContact O-N 3.24Å; K67-I71 VanDerWaalsContact O-CG1 3.28Å; K67-I71 WeakPolarHBondContact O-CG1 3.44Å; K67-I71 PolarHBondContact O-N 3.22Å
68	L	83.7	Confident	78.9	Confident	23 Å²	23	83.7 Å²	83.7	12%	0.12	45%	0.452	C	S	.	.	H	α-helix	trans	-69.5	-38.9	179.6	-172.3	56	0	0	0	111	L9 Y18 P21 Y29 S65 N70 I71 V72	L9-L68 HydrophobicContact CD2-CD1 3.95Å; Y18-L68 HydrophobicContact CD2-CD1 4.47Å; Y18-L68 HydrophobicContact CD2-CD2 3.84Å; Y18-L68 HydrophobicContact CD2-CG 4.27Å; Y18-L68 HydrophobicContact CE2-CD2 3.93Å; Y18-L68 HydrophobicContact CG-CD2 4.36Å; P21-L68 HydrophobicContact CB-CB 4.27Å; P21-L68 HydrophobicContact CB-CD2 3.71Å; P21-L68 HydrophobicContact CB-CG 4.03Å; P21-L68 HydrophobicContact CG-CB 3.97Å; P21-L68 HydrophobicContact CG-CD2 4.24Å; P21-L68 HydrophobicContact CG-CG 3.98Å; Y29-L68 HydrophobicContact CD1-CD2 3.89Å; Y29-L68 HydrophobicContact CD2-CD2 4.02Å; Y29-L68 HydrophobicContact CG-CD2 3.56Å; S65-L68 PolarHBondContact O-N 3.15Å; S65-L68 WeakPolarHBondContact OG-CB 3.28Å; S65-L68 PolarHBondContact OG-N 3.26Å; L68-N70 VanDerWaalsContact C-N 3.34Å; L68-N70 PolarHBondContact O-N 3.47Å; L68-I71 PolarHBondContact O-N 2.99Å; L68-V72 HydrophobicContact CD1-CG2 4.38Å; L68-V72 HydrophobicContact CG-CG2 4.48Å; L68-V72 WeakPolarHBondContact O-CB 3.34Å; L68-V72 VanDerWaalsContact O-CG2 3.28Å; L68-V72 WeakPolarHBondContact O-CG2 3.37Å; L68-V72 PolarHBondContact O-N 3.49Å
69	S	83.1	Confident	78	Confident	32 Å²	32	83.2 Å²	83.2	22%	0.224	44%	0.441	C	S	.	.	H	α-helix	trans	-56.1	-47.1	171.5	-62.2	0	0	0	0	111.9	P21 S65 I71 V72 E73	P21-S69 VanDerWaalsContact CD-OG 3.28Å; P21-S69 WeakPolarHBondContact CD-OG 3.34Å; P21-S69 WeakPolarHBondContact CG-OG 3.2Å; S65-S69 PolarHBondContact O-N 2.97Å; S65-S69 PolarHBondContact O-OG 2.86Å; S65-S69 VanDerWaalsContact O-OG 3.12Å; S69-I71 VanDerWaalsContact C-N 3.33Å; S69-I71 PolarHBondContact O-N 3.09Å; S69-V72 PolarHBondContact O-N 2.91Å; S69-E73 VanDerWaalsContact O-CB 3.29Å; S69-E73 WeakPolarHBondContact O-CB 3.3Å; S69-E73 PolarHBondContact O-N 2.91Å
70	N	80.4	Confident	77	Confident	76 Å²	76	82 Å²	82	41%	0.406	44%	0.435	S	S	.	.	H	α-helix	trans	-65	-35.6	179	-70.1	-11.8	0	0	0	112.5	L66 K67 L68 R74	L66-N70 WeakPolarHBondContact O-CB 3.43Å; L66-N70 PolarHBondContact O-N 3.45Å; L66-N70 PolarHBondContact O-ND2 2.97Å; L66-N70 PolarHBondContact O-OD1 3.25Å; K67-N70 PolarHBondContact O-N 3.24Å; L68-N70 VanDerWaalsContact C-N 3.34Å; L68-N70 PolarHBondContact O-N 3.47Å; N70-R74 WeakPolarHBondContact O-CB 3.37Å; N70-R74 WeakPolarHBondContact O-CG 3.41Å; N70-R74 PolarHBondContact O-N 3.27Å
71	I	80.6	Confident	75.5	Confident	91 Å²	91	87 Å²	87	47%	0.467	46%	0.461	S	S	.	.	H	α-helix	trans	-68	-45.9	176.4	-68.6	164.6	0	0	0	110.1	L9 K67 L68 S69 R74 Y75	L9-I71 HydrophobicContact CD1-CG2 4.27Å; L9-I71 HydrophobicContact CD2-CG2 3.76Å; K67-I71 VanDerWaalsContact O-CG1 3.28Å; K67-I71 WeakPolarHBondContact O-CG1 3.44Å; K67-I71 PolarHBondContact O-N 3.22Å; L68-I71 PolarHBondContact O-N 2.99Å; S69-I71 VanDerWaalsContact C-N 3.33Å; S69-I71 PolarHBondContact O-N 3.09Å; I71-R74 PolarHBondContact O-N 3.26Å; I71-Y75 VanDerWaalsContact O-CB 3.28Å; I71-Y75 WeakPolarHBondContact O-CB 3.2Å; I71-Y75 PolarHBondContact O-N 2.96Å
72	V	81.1	Confident	73.9	Confident	12 Å²	12	82.7 Å²	82.7	7%	0.073	45%	0.446	C	S	.	.	H	α-helix	trans	-64.1	-41.5	178.4	167	0	0	0	0	112	L9 I17 Y18 L68 S69 Y75 S76	L9-V72 HydrophobicContact CD2-CG2 4.31Å; I17-V72 HydrophobicContact CG2-CB 4.33Å; I17-V72 HydrophobicContact CG2-CG1 3.35Å; I17-V72 HydrophobicContact CG2-CG2 4.2Å; Y18-V72 WeakPolarHBondContact O-CG1 3.18Å; L68-V72 HydrophobicContact CD1-CG2 4.38Å; L68-V72 HydrophobicContact CG-CG2 4.48Å; L68-V72 WeakPolarHBondContact O-CB 3.34Å; L68-V72 VanDerWaalsContact O-CG2 3.28Å; L68-V72 WeakPolarHBondContact O-CG2 3.37Å; L68-V72 PolarHBondContact O-N 3.49Å; S69-V72 PolarHBondContact O-N 2.91Å; V72-Y75 PolarHBondContact O-N 3.45Å; V72-S76 WeakPolarHBondContact O-CB 3.5Å; V72-S76 PolarHBondContact O-N 3.26Å; V72-S76 PolarHBondContact O-OG 2.99Å
73	E	78.6	Confident	72.1	Confident	134 Å²	134	86.6 Å²	86.6	63%	0.626	47%	0.466	S	S	*	.	H	α-helix	trans	-64	-45.4	177.3	-173.1	177.6	-163.2	0	0	110.7	S69 S76 A77	S69-E73 VanDerWaalsContact O-CB 3.29Å; S69-E73 WeakPolarHBondContact O-CB 3.3Å; S69-E73 PolarHBondContact O-N 2.91Å; E73-S76 PolarHBondContact O-N 3.03Å; E73-A77 VanDerWaalsContact O-CB 3.24Å; E73-A77 WeakPolarHBondContact O-CB 3.31Å; E73-A77 PolarHBondContact O-N 3.38Å
74	R	75.9	Confident	70.3	Confident	183 Å²	183	90 Å²	90	69%	0.691	48%	0.479	S	S	*	.	H	α-helix	trans	-64.6	-40.5	174.8	-72.5	175.9	-173.4	-165.3	1.9	112.4	N70 I71 A77 F78	N70-R74 WeakPolarHBondContact O-CB 3.37Å; N70-R74 WeakPolarHBondContact O-CG 3.41Å; N70-R74 PolarHBondContact O-N 3.27Å; I71-R74 PolarHBondContact O-N 3.26Å; R74-A77 PolarHBondContact O-N 2.98Å; R74-F78 WeakPolarHBondContact O-CD2 3.31Å; R74-F78 PolarHBondContact O-N 3.31Å
75	Y	73.3	Confident	68.2	Low	46 Å²	46	92.5 Å²	92.5	18%	0.18	49%	0.488	C	S	.	.	H	α-helix	trans	-63.5	-42.8	176.1	-178.9	-92.8	0	0	0	111.5	L5 K6 L9 I17 I71 V72 F78	L5-Y75 HydrophobicContact CD2-CD2 4.2Å; L5-Y75 HydrophobicContact CD2-CE2 4.38Å; K6-Y75 VanDerWaalsContact CB-OH 3.26Å; K6-Y75 WeakPolarHBondContact CB-OH 3.36Å; K6-Y75 HydrophobicContact CG-CE1 4.3Å; K6-Y75 WeakPolarHBondContact CG-OH 3.46Å; L9-Y75 HydrophobicContact CD1-CD1 3.94Å; L9-Y75 HydrophobicContact CD1-CD2 3.79Å; L9-Y75 HydrophobicContact CD1-CE2 4.44Å; L9-Y75 HydrophobicContact CD1-CG 3.51Å; I17-Y75 HydrophobicContact CD1-CD1 4Å; I17-Y75 HydrophobicContact CD1-CE1 3.76Å; I71-Y75 VanDerWaalsContact O-CB 3.28Å; I71-Y75 WeakPolarHBondContact O-CB 3.2Å; I71-Y75 PolarHBondContact O-N 2.96Å; V72-Y75 PolarHBondContact O-N 3.45Å; Y75-F78 PolarHBondContact O-N 3.42Å
76	S	68	Low	66.3	Low	74 Å²	74	94.6 Å²	94.6	52%	0.517	51%	0.506	S	S	.	.	H	α-helix	trans	-74.5	-26.6	179.6	-52.6	0	0	0	0	113	V72 E73 F78	V72-S76 WeakPolarHBondContact O-CB 3.5Å; V72-S76 PolarHBondContact O-N 3.26Å; V72-S76 PolarHBondContact O-OG 2.99Å; E73-S76 PolarHBondContact O-N 3.03Å; S76-F78 VanDerWaalsContact C-N 3.26Å; S76-F78 PolarHBondContact O-N 2.94Å
77	A	65.7	Low	64.6	Low	75 Å²	75	96.8 Å²	96.8	62%	0.62	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.2	174	0	0	0	0	0	113.4	E73 R74 P79	E73-A77 VanDerWaalsContact O-CB 3.24Å; E73-A77 WeakPolarHBondContact O-CB 3.31Å; E73-A77 PolarHBondContact O-N 3.38Å; R74-A77 PolarHBondContact O-N 2.98Å; A77-P79 WeakPolarHBondContact O-CD 3.5Å
78	F	61.3	Low	62.9	Low	141 Å²	141	94.9 Å²	94.9	62%	0.618	50%	0.501	S	S	*	.	S	Bend	trans	-103	102.6	175.6	-97.3	-92.2	0	0	0	110.3	R74 Y75 S76 L80	R74-F78 WeakPolarHBondContact O-CD2 3.31Å; R74-F78 PolarHBondContact O-N 3.31Å; Y75-F78 PolarHBondContact O-N 3.42Å; S76-F78 VanDerWaalsContact C-N 3.26Å; S76-F78 PolarHBondContact O-N 2.94Å; F78-L80 PolarHBondContact O-N 3.44Å
79	P	57.4	Low	61.2	Low	82 Å²	82	99.1 Å²	99.1	53%	0.532	53%	0.533	S	S	.	.			trans	-76.7	86.2	177.2	30.5	-32.5	0	0	0	110.1	A77 D81 A82 I83	A77-P79 WeakPolarHBondContact O-CD 3.5Å; P79-D81 PolarHBondContact O-N 2.95Å; P79-A82 HydrophobicContact CB-CB 3.83Å; P79-A82 HydrophobicContact CG-CB 3.98Å; P79-A82 WeakPolarHBondContact O-CB 3.01Å; P79-A82 PolarHBondContact O-N 3.31Å; P79-I83 PolarHBondContact O-N 2.89Å
80	L	53	Low	59.4	Low	91 Å²	91	100.9 Å²	100.9	48%	0.476	55%	0.545	S	S	.	.	H	α-helix	trans	-56.3	-34.2	175.6	-122.9	75.5	0	0	0	112	F78 A82 I83 L84	F78-L80 PolarHBondContact O-N 3.44Å; L80-A82 VanDerWaalsContact C-N 3.28Å; L80-A82 PolarHBondContact O-N 2.92Å; L80-I83 PolarHBondContact O-N 3.38Å; L80-L84 PolarHBondContact O-N 2.8Å
81	D	48.9	Very low	58.2	Low	120 Å²	120	102.7 Å²	102.7	64%	0.642	55%	0.547	S	S	*	.	H	α-helix	trans	-69.3	-22.3	177.4	-66.5	-34.2	0	0	0	113.4	P79 N85	P79-D81 PolarHBondContact O-N 2.95Å; D81-N85 WeakPolarHBondContact O-CB 3.35Å; D81-N85 PolarHBondContact O-N 3.39Å; D81-N85 PolarHBondContact O-ND2 2.7Å; D81-N85 VanDerWaalsContact O-ND2 3.13Å
82	A	47.9	Very low	57.1	Low	59 Å²	59	100 Å²	100	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-80.6	-26.1	174.6	0	0	0	0	0	112.4	P79 L80 A86	P79-A82 HydrophobicContact CB-CB 3.83Å; P79-A82 HydrophobicContact CG-CB 3.98Å; P79-A82 WeakPolarHBondContact O-CB 3.01Å; P79-A82 PolarHBondContact O-N 3.31Å; L80-A82 VanDerWaalsContact C-N 3.28Å; L80-A82 PolarHBondContact O-N 2.92Å; A82-A86 PolarHBondContact O-N 3.38Å
83	I	50.6	Low	56.3	Low	118 Å²	118	100.3 Å²	100.3	61%	0.605	54%	0.538	S	S	*	.	H	α-helix	trans	-77.3	-37.3	177.1	-61.1	172.2	0	0	0	110.6	P79 L80	P79-I83 PolarHBondContact O-N 2.89Å; L80-I83 PolarHBondContact O-N 3.38Å
84	L	47.4	Very low	55.5	Low	136 Å²	136	102.2 Å²	102.2	71%	0.712	54%	0.544	S	S	*	.	H	α-helix	trans	-78.6	-27.1	179.9	-67.4	171.5	0	0	0	113.5	L80	L80-L84 PolarHBondContact O-N 2.8Å
85	N	45	Very low	54.7	Low	129 Å²	129	100.5 Å²	100.5	69%	0.69	55%	0.549	S	S	*	.	S	Bend	trans	-105.4	9	-178.4	-67.5	-46.4	0	0	0	114.6	D81 Q87	D81-N85 WeakPolarHBondContact O-CB 3.35Å; D81-N85 PolarHBondContact O-N 3.39Å; D81-N85 PolarHBondContact O-ND2 2.7Å; D81-N85 VanDerWaalsContact O-ND2 3.13Å; N85-Q87 PolarHBondContact O-N 3.42Å
86	A	45.5	Very low	54.4	Low	63 Å²	63	101.6 Å²	101.6	52%	0.521	56%	0.556	S	S	.	*			trans	-65.6	103.1	169.7	0	0	0	0	0	109	A82 R88	A82-A86 PolarHBondContact O-N 3.38Å; A86-R88 PolarHBondContact O-N 2.73Å
87	Q	46.2	Very low	54.2	Low	175 Å²	175	103.6 Å²	103.6	82%	0.818	56%	0.556	S	S	*	*			trans	-54.6	103.4	163.2	-79.8	179.5	-60.1	0	0	108	N85 S89	N85-Q87 PolarHBondContact O-N 3.42Å; Q87-S89 VanDerWaalsContact C-N 3.27Å; Q87-S89 WeakPolarHBondContact O-CB 3.42Å; Q87-S89 PolarHBondContact O-N 3.44Å; Q87-S89 PolarHBondContact O-OG 2.76Å
88	R	47.6	Very low	54.1	Low	132 Å²	132	110 Å²	110	50%	0.498	57%	0.571	S	S	.	*			trans	-62.6	86.6	178.4	-66.3	-176.8	-178	174.7	-1.8	109.2	A86 Y91 C114	A86-R88 PolarHBondContact O-N 2.73Å; R88-Y91 HydrophobicContact CB-CE2 4.48Å; R88-Y91 WeakPolarHBondContact CD-OH 3.34Å; R88-C114 WeakPolarHBondContact CD-O 2.82Å; R88-C114 PolarHBondContact NE-O 3.45Å; R88-C114 PolarHBondContact NH1-O 2.87Å
89	S	46.6	Very low	54.5	Low	112 Å²	112	105.7 Å²	105.7	78%	0.783	56%	0.555	S	S	*	*			trans	-110.5	11.1	-167.2	42	0	0	0	0	113.7	Q87	Q87-S89 VanDerWaalsContact C-N 3.27Å; Q87-S89 WeakPolarHBondContact O-CB 3.42Å; Q87-S89 PolarHBondContact O-N 3.44Å; Q87-S89 PolarHBondContact O-OG 2.76Å
90	S	46.9	Very low	55.5	Low	70 Å²	70	103.1 Å²	103.1	49%	0.49	54%	0.536	S	S	.	.	S	Bend	trans	-158.5	107.7	166.6	-178.5	0	0	0	0	109	P92 C93	S90-P92 CarbonylContact O-C 3.59Å; S90-C93 WeakPolarHBondContact O-CA 3.34Å; S90-C93 PolarHBondContact O-N 3.24Å
91	Y	54.8	Low	56.9	Low	114 Å²	114	101.1 Å²	101.1	45%	0.447	53%	0.525	S	S	.	.	S	Bend	trans	-84.8	130.4	162.3	-73.6	-79.1	0	0	0	108.2	R88 C114 D115	R88-Y91 HydrophobicContact CB-CE2 4.48Å; R88-Y91 WeakPolarHBondContact CD-OH 3.34Å; Y91-C114 PolarHBondContact OH-O 3.38Å; Y91-D115 WeakPolarHBondContact CD1-OD1 3.08Å; Y91-D115 HydrophobicContact CE1-CB 4.48Å; Y91-D115 VanDerWaalsContact CE1-CG 3.47Å; Y91-D115 WeakPolarHBondContact CE1-OD1 3.1Å
92	P	58.2	Low	58.6	Low	34 Å²	34	96.9 Å²	96.9	22%	0.221	50%	0.501	C	S	.	.	S	Bend	cis	-78.2	148	-9.3	32.5	-34.1	0	0	0	112.4	S90 K100 L109	S90-P92 CarbonylContact O-C 3.59Å; P92-K100 HydrophobicContact CB-CD 4.31Å; P92-L109 HydrophobicContact CB-CB 4.13Å; P92-L109 HydrophobicContact CG-CB 3.92Å; P92-L109 HydrophobicContact CG-CD1 4.09Å
93	C	63.3	Low	60.3	Low	18 Å²	18	94 Å²	94	12%	0.122	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-63.2	142.2	178.8	65.2	0	0	0	0	111.6	S90 K100 C111 C114	S90-C93 WeakPolarHBondContact O-CA 3.34Å; S90-C93 PolarHBondContact O-N 3.24Å; C93-K100 WeakPolarHBondContact O-CE 3.43Å; C93-C111 PolarHBondContact SG-SG 3Å; C93-C114 HydrophobicContact CB-CB 4.37Å; C93-C114 PolarHBondContact SG-SG 3.13Å
94	K	62.5	Low	62	Low	174 Å²	174	89.8 Å²	89.8	76%	0.757	46%	0.456	S	S	*	.	S	Bend	trans	-77.6	-20.4	-177	-66.1	-176.9	179.1	178.7	0	114
95	D	59.3	Low	63.8	Low	147 Å²	147	87.2 Å²	87.2	79%	0.786	45%	0.446	S	S	*	.	S	Bend	trans	-80.8	-19.7	-172.1	-55.8	-45.7	0	0	0	113.5
96	H	65.3	Low	65.5	Low	70 Å²	70	84.6 Å²	84.6	32%	0.324	43%	0.432	S	S	.	.			trans	-118.3	50.5	-171.1	-62.5	119.5	0	0	0	113	K98 V99 C111 C114	H96-K98 VanDerWaalsContact C-N 3.3Å; H96-K98 PolarHBondContact O-N 3.48Å; H96-V99 HydrophobicContact CB-CG2 3.64Å; H96-V99 WeakPolarHBondContact O-CG2 3.17Å; H96-V99 PolarHBondContact O-N 3.49Å; H96-C111 VanDerWaalsContact CB-SG 3.57Å; H96-C114 PolarHBondContact ND1-SG 3.39Å; H96-C114 VanDerWaalsContact ND1-SG 3.38Å
97	E	64.8	Low	67.3	Low	115 Å²	115	86.6 Å²	86.6	54%	0.537	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-56.6	-39.8	-175.9	-160.4	64.3	-138.6	0	0	113.7	V99 K100	E97-V99 VanDerWaalsContact C-N 3.27Å; E97-V99 PolarHBondContact O-N 2.98Å; E97-K100 IonicContact OE1-NZ 3.78Å; E97-K100 PolarHBondContact OE1-NZ 3.48Å; E97-K100 WeakPolarHBondContact OE2-CE 3.47Å; E97-K100 IonicContact OE2-NZ 2.86Å; E97-K100 PolarHBondContact OE2-NZ 2.98Å
98	K	64.4	Low	69.1	Low	211 Å²	211	80.3 Å²	80.3	92%	0.917	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-78.9	-3.6	-172.6	-65.3	-175.8	178.3	-178.9	0	115	H96	H96-K98 VanDerWaalsContact C-N 3.3Å; H96-K98 PolarHBondContact O-N 3.48Å
99	V	67.9	Low	70.7	Confident	49 Å²	49	77.3 Å²	77.3	30%	0.297	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-129.2	23.3	-177.6	-64.3	0	0	0	0	111.5	H96 E97 F112 F113	H96-V99 HydrophobicContact CB-CG2 3.64Å; H96-V99 WeakPolarHBondContact O-CG2 3.17Å; H96-V99 PolarHBondContact O-N 3.49Å; E97-V99 VanDerWaalsContact C-N 3.27Å; E97-V99 PolarHBondContact O-N 2.98Å; V99-F112 HydrophobicContact CB-CB 4.35Å; V99-F112 PolarHBondContact O-N 3.21Å; V99-F113 HydrophobicContact CB-CE2 4.29Å; V99-F113 HydrophobicContact CG1-CE2 4.09Å; V99-F113 HydrophobicContact CG2-CD2 3.75Å; V99-F113 HydrophobicContact CG2-CE2 3.85Å
100	K	78.4	Confident	72.4	Confident	29 Å²	29	72.4 Å²	72.4	13%	0.126	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.6	168.6	-66.8	-179.1	-176.9	169	0	109.6	P92 C93 E97 V110 I128	P92-K100 HydrophobicContact CB-CD 4.31Å; C93-K100 WeakPolarHBondContact O-CE 3.43Å; E97-K100 IonicContact OE1-NZ 3.78Å; E97-K100 PolarHBondContact OE1-NZ 3.48Å; E97-K100 WeakPolarHBondContact OE2-CE 3.47Å; E97-K100 IonicContact OE2-NZ 2.86Å; E97-K100 PolarHBondContact OE2-NZ 2.98Å; K100-V110 CarbonylContact C-O 3.5Å; K100-V110 VanDerWaalsContact CA-O 3.31Å; K100-V110 WeakPolarHBondContact CA-O 3.02Å; K100-I128 HydrophobicContact CB-CD1 3.57Å; K100-I128 HydrophobicContact CB-CG1 4.47Å; K100-I128 HydrophobicContact CD-CD1 4.49Å
101	L	82.6	Confident	73.7	Confident	48 Å²	48	69.1 Å²	69.1	25%	0.251	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	171.4	175.8	-59.7	173.4	0	0	0	108.3	L109 V110 V125 T126 T127	L101-L109 WeakPolarHBondContact O-CA 3.47Å; L101-V110 HydrophobicContact CB-CG2 3.92Å; L101-V110 PolarHBondContact N-O 3.02Å; L101-V110 PolarHBondContact O-N 3.43Å; L101-V125 HydrophobicContact CB-CG1 3.49Å; L101-V125 VanDerWaalsContact CB-CG1 3.49Å; L101-V125 HydrophobicContact CD1-CG1 3.76Å; L101-V125 HydrophobicContact CG-CG1 4.23Å; L101-T126 WeakPolarHBondContact CA-O 3.05Å; L101-T126 WeakPolarHBondContact CB-O 3.47Å; L101-T127 HydrophobicContact CD2-CG2 4.49Å
102	F	85.1	Confident	74.4	Confident	31 Å²	31	70.3 Å²	70.3	14%	0.136	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.4	176.6	-168.8	-86.7	0	0	0	110.2	L104 K107 L109 V125 T126 A131 I135	F102-L104 HydrophobicContact CD1-CD2 4.02Å; F102-L104 HydrophobicContact CD1-CG 4.46Å; F102-L104 HydrophobicContact CE1-CD2 4.22Å; F102-K107 HydrophobicContact CE1-CB 4.47Å; F102-K107 HydrophobicContact CE1-CD 4.16Å; F102-K107 VanDerWaalsContact CZ-CA 3.45Å; F102-K107 HydrophobicContact CZ-CB 4.14Å; F102-K107 HydrophobicContact CZ-CD 4.43Å; F102-L109 HydrophobicContact CD2-CD2 3.93Å; F102-L109 HydrophobicContact CD2-CG 4.21Å; F102-V125 WeakPolarHBondContact O-CA 2.96Å; F102-T126 PolarHBondContact N-O 2.97Å; F102-T126 PolarHBondContact O-N 3.41Å; F102-A131 HydrophobicContact CB-CB 3.48Å; F102-A131 VanDerWaalsContact CB-CB 3.48Å; F102-A131 HydrophobicContact CD1-CB 3.59Å; F102-A131 HydrophobicContact CE1-CB 4.5Å; F102-A131 HydrophobicContact CG-CB 3.62Å; F102-I135 HydrophobicContact CD1-CD1 3.97Å; F102-I135 HydrophobicContact CE1-CD1 3.24Å; F102-I135 HydrophobicContact CE2-CD1 4.41Å; F102-I135 HydrophobicContact CZ-CD1 3.49Å; F102-I135 VanDerWaalsContact CZ-CD1 3.49Å
103	C	85	Confident	74.6	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	109.6	172.6	-177.9	0	0	0	0	109	T105 D106 K107 S108 V110 H123 V125	C103-T105 VanDerWaalsContact C-N 3.27Å; C103-T105 PolarHBondContact O-N 2.84Å; C103-D106 HydrophobicContact CB-CB 4.32Å; C103-D106 PolarHBondContact SG-N 3.32Å; C103-D106 VanDerWaalsContact SG-N 3.4Å; C103-D106 PolarHBondContact SG-OD2 2.66Å; C103-K107 VanDerWaalsContact O-CA 3.23Å; C103-K107 WeakPolarHBondContact O-CA 3.5Å; C103-K107 PolarHBondContact O-N 2.66Å; C103-S108 PolarHBondContact N-O 3.39Å; C103-S108 PolarHBondContact O-N 3.45Å; C103-V110 HydrophobicContact CB-CG1 4.17Å; C103-H123 VanDerWaalsContact SG-CB 3.55Å; C103-V125 HydrophobicContact CB-CG2 4.41Å
104	L	84.6	Confident	74.7	Confident	29 Å²	29	74.9 Å²	74.9	15%	0.152	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.9	179.1	-69.8	170.9	0	0	0	112.4	F102 K107 Q124 T126 A131 I135	F102-L104 HydrophobicContact CD1-CD2 4.02Å; F102-L104 HydrophobicContact CD1-CG 4.46Å; F102-L104 HydrophobicContact CE1-CD2 4.22Å; L104-K107 VanDerWaalsContact O-CD 3.31Å; L104-K107 WeakPolarHBondContact O-CD 3.41Å; L104-K107 WeakPolarHBondContact O-CE 3.3Å; L104-Q124 HydrophobicContact CB-CB 4.36Å; L104-Q124 HydrophobicContact CD1-CG 3.99Å; L104-Q124 PolarHBondContact N-O 3.05Å; L104-T126 HydrophobicContact CD1-CG2 3.83Å; L104-T126 HydrophobicContact CD2-CG2 4.27Å; L104-T126 HydrophobicContact CG-CG2 3.85Å; L104-A131 HydrophobicContact CD2-CB 4.18Å; L104-I135 HydrophobicContact CD2-CD1 4.14Å; L104-I135 HydrophobicContact CD2-CG1 4.26Å
105	T	85.3	Confident	74.8	Confident	81 Å²	81	67.6 Å²	67.6	50%	0.497	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-49.9	178	-51.9	0	0	0	0	111.4	C103 Q124	C103-T105 VanDerWaalsContact C-N 3.27Å; C103-T105 PolarHBondContact O-N 2.84Å; T105-Q124 PolarHBondContact OG1-N 2.87Å
106	D	81.7	Confident	75.1	Confident	74 Å²	74	65.6 Å²	65.6	40%	0.396	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-7	-176.6	-55.1	-43.8	0	0	0	113.3	C103 S108 H120 H123	C103-D106 HydrophobicContact CB-CB 4.32Å; C103-D106 PolarHBondContact SG-N 3.32Å; C103-D106 VanDerWaalsContact SG-N 3.4Å; C103-D106 PolarHBondContact SG-OD2 2.66Å; D106-S108 VanDerWaalsContact C-N 3.31Å; D106-S108 PolarHBondContact O-N 2.97Å; D106-H120 IonicContact OD2-CE1 3.43Å; D106-H120 PolarHBondContact OD2-CE1 2.76Å; D106-H120 IonicContact OD2-ND1 3.8Å; D106-H120 PolarHBondContact OD2-ND1 3.19Å; D106-H120 VanDerWaalsContact OD2-ND1 3.12Å; D106-H123 VanDerWaalsContact CG-ND1 3.33Å; D106-H123 IonicContact OD1-CE1 3.87Å; D106-H123 PolarHBondContact OD1-CE1 3.34Å; D106-H123 IonicContact OD1-ND1 3Å; D106-H123 PolarHBondContact OD1-ND1 3.12Å; D106-H123 IonicContact OD2-CE1 2.71Å; D106-H123 PolarHBondContact OD2-CE1 3.06Å; D106-H123 IonicContact OD2-CG 3.7Å; D106-H123 IonicContact OD2-ND1 3.26Å; D106-H123 PolarHBondContact OD2-ND1 3.33Å
107	K	83.2	Confident	75	Confident	105 Å²	105	67.4 Å²	67.4	46%	0.457	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	46.5	-175	-58	-70.2	-176.6	175.1	0	112.4	F102 C103 L104 I135 E138	F102-K107 HydrophobicContact CE1-CB 4.47Å; F102-K107 HydrophobicContact CE1-CD 4.16Å; F102-K107 VanDerWaalsContact CZ-CA 3.45Å; F102-K107 HydrophobicContact CZ-CB 4.14Å; F102-K107 HydrophobicContact CZ-CD 4.43Å; C103-K107 VanDerWaalsContact O-CA 3.23Å; C103-K107 WeakPolarHBondContact O-CA 3.5Å; C103-K107 PolarHBondContact O-N 2.66Å; L104-K107 VanDerWaalsContact O-CD 3.31Å; L104-K107 WeakPolarHBondContact O-CD 3.41Å; L104-K107 WeakPolarHBondContact O-CE 3.3Å; K107-I135 HydrophobicContact CD-CD1 4.16Å; K107-E138 IonicContact NZ-OE2 2.74Å; K107-E138 PolarHBondContact NZ-OE2 2.74Å
108	S	83.1	Confident	75	Confident	44 Å²	44	65.6 Å²	65.6	31%	0.308	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.3	-176	65.5	0	0	0	0	112.8	C103 D106	C103-S108 PolarHBondContact N-O 3.39Å; C103-S108 PolarHBondContact O-N 3.45Å; D106-S108 VanDerWaalsContact C-N 3.31Å; D106-S108 PolarHBondContact O-N 2.97Å
109	L	82.9	Confident	75	Confident	68 Å²	68	60.5 Å²	60.5	36%	0.356	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130	171.6	-73.8	168	0	0	0	109.8	P92 L101 F102 I128	P92-L109 HydrophobicContact CB-CB 4.13Å; P92-L109 HydrophobicContact CG-CB 3.92Å; P92-L109 HydrophobicContact CG-CD1 4.09Å; L101-L109 WeakPolarHBondContact O-CA 3.47Å; F102-L109 HydrophobicContact CD2-CD2 3.93Å; F102-L109 HydrophobicContact CD2-CG 4.21Å; L109-I128 HydrophobicContact CD2-CD1 3.84Å; L109-I128 HydrophobicContact CD2-CG1 3.83Å
110	V	80.8	Confident	74.9	Confident	9 Å²	9	59.7 Å²	59.7	6%	0.055	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.4	178.3	-59.3	0	0	0	0	110.1	K100 L101 C103 D115 V125	K100-V110 CarbonylContact C-O 3.5Å; K100-V110 VanDerWaalsContact CA-O 3.31Å; K100-V110 WeakPolarHBondContact CA-O 3.02Å; L101-V110 HydrophobicContact CB-CG2 3.92Å; L101-V110 PolarHBondContact N-O 3.02Å; L101-V110 PolarHBondContact O-N 3.43Å; C103-V110 HydrophobicContact CB-CG1 4.17Å; V110-D115 WeakPolarHBondContact CA-OD2 3.46Å; V110-D115 HydrophobicContact CB-CB 4.32Å; V110-D115 WeakPolarHBondContact CB-OD2 3.49Å; V110-V125 HydrophobicContact CG2-CG1 4.07Å
111	C	75.7	Confident	74.4	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.007	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.2	173.9	172.1	0	0	0	0	109.6	C93 H96 F113 C114 D115	C93-C111 PolarHBondContact SG-SG 3Å; H96-C111 VanDerWaalsContact CB-SG 3.57Å; C111-F113 PolarHBondContact O-N 3.4Å; C111-C114 HydrophobicContact CB-CB 3.95Å; C111-C114 PolarHBondContact O-N 3.47Å; C111-C114 VanDerWaalsContact O-N 3.13Å; C111-D115 PolarHBondContact N-OD2 3.41Å; C111-D115 WeakPolarHBondContact O-CB 3.37Å; C111-D115 PolarHBondContact O-N 3.21Å
112	F	68.1	Low	74.1	Confident	140 Å²	140	72.7 Å²	72.7	61%	0.614	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.6	-177.9	-175.7	-97.6	0	0	0	114.7	V99	V99-F112 HydrophobicContact CB-CB 4.35Å; V99-F112 PolarHBondContact O-N 3.21Å
113	F	63.8	Low	73.9	Confident	125 Å²	125	74.1 Å²	74.1	55%	0.548	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-21.9	-178.5	-62.5	-67.7	0	0	0	114.2	V99 C111	V99-F113 HydrophobicContact CB-CE2 4.29Å; V99-F113 HydrophobicContact CG1-CE2 4.09Å; V99-F113 HydrophobicContact CG2-CD2 3.75Å; V99-F113 HydrophobicContact CG2-CE2 3.85Å; C111-F113 PolarHBondContact O-N 3.4Å
114	C	65	Low	73.7	Confident	22 Å²	22	80.4 Å²	80.4	15%	0.149	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-16	-170.1	-60.2	0	0	0	0	113.6	R88 Y91 C93 H96 C111	R88-C114 WeakPolarHBondContact CD-O 2.82Å; R88-C114 PolarHBondContact NE-O 3.45Å; R88-C114 PolarHBondContact NH1-O 2.87Å; Y91-C114 PolarHBondContact OH-O 3.38Å; C93-C114 HydrophobicContact CB-CB 4.37Å; C93-C114 PolarHBondContact SG-SG 3.13Å; H96-C114 PolarHBondContact ND1-SG 3.39Å; H96-C114 VanDerWaalsContact ND1-SG 3.38Å; C111-C114 HydrophobicContact CB-CB 3.95Å; C111-C114 PolarHBondContact O-N 3.47Å; C111-C114 VanDerWaalsContact O-N 3.13Å
115	D	65	Low	73.6	Confident	22 Å²	22	81.6 Å²	81.6	12%	0.118	42%	0.423	C	S	.	.	S	Bend	trans	-88.7	147.2	171	-77.6	-73.8	0	0	0	110.8	Y91 V110 C111 P117	Y91-D115 WeakPolarHBondContact CD1-OD1 3.08Å; Y91-D115 HydrophobicContact CE1-CB 4.48Å; Y91-D115 VanDerWaalsContact CE1-CG 3.47Å; Y91-D115 WeakPolarHBondContact CE1-OD1 3.1Å; V110-D115 WeakPolarHBondContact CA-OD2 3.46Å; V110-D115 HydrophobicContact CB-CB 4.32Å; V110-D115 WeakPolarHBondContact CB-OD2 3.49Å; C111-D115 PolarHBondContact N-OD2 3.41Å; C111-D115 WeakPolarHBondContact O-CB 3.37Å; C111-D115 PolarHBondContact O-N 3.21Å; D115-P117 VanDerWaalsContact O-CD 3.24Å; D115-P117 WeakPolarHBondContact O-CD 3.49Å
116	E	65.4	Low	73.6	Confident	104 Å²	104	79 Å²	79	49%	0.486	41%	0.407	S	S	.	.			trans	-71.7	117	177.6	-73.4	179.5	-178.1	0	0	109.7	A118 L119	E116-A118 PolarHBondContact O-N 2.9Å; E116-A118 VanDerWaalsContact O-N 3.08Å; E116-L119 HydrophobicContact CB-CD1 3.88Å; E116-L119 HydrophobicContact CB-CG 3.99Å; E116-L119 HydrophobicContact CG-CD1 4.49Å; E116-L119 PolarHBondContact O-N 2.89Å
117	P	62.3	Low	73.8	Confident	108 Å²	108	78.2 Å²	78.2	70%	0.701	41%	0.405	S	S	*	.	H	α-helix	trans	-57.2	-31.2	-176.4	-27	36.1	0	0	0	113.3	D115 L119 H120 E121	D115-P117 VanDerWaalsContact O-CD 3.24Å; D115-P117 WeakPolarHBondContact O-CD 3.49Å; P117-L119 VanDerWaalsContact C-N 3.3Å; P117-L119 PolarHBondContact O-N 3.04Å; P117-H120 PolarHBondContact O-N 2.72Å; P117-E121 PolarHBondContact O-N 3.29Å; P117-E121 VanDerWaalsContact O-N 3.08Å
118	A	64.9	Low	73.9	Confident	77 Å²	77	76.1 Å²	76.1	64%	0.636	40%	0.398	S	S	*	.	H	α-helix	trans	-65.6	-25.9	178	0	0	0	0	0	113.9	E116	E116-A118 PolarHBondContact O-N 2.9Å; E116-A118 VanDerWaalsContact O-N 3.08Å
119	L	64.9	Low	74	Confident	104 Å²	104	79.8 Å²	79.8	55%	0.545	42%	0.415	S	S	.	.	H	α-helix	trans	-76.8	-24.8	179.8	-69.3	174.5	0	0	0	112.8	E116 P117	E116-L119 HydrophobicContact CB-CD1 3.88Å; E116-L119 HydrophobicContact CB-CG 3.99Å; E116-L119 HydrophobicContact CG-CD1 4.49Å; E116-L119 PolarHBondContact O-N 2.89Å; P117-L119 VanDerWaalsContact C-N 3.3Å; P117-L119 PolarHBondContact O-N 3.04Å
120	H	66.1	Low	74.1	Confident	33 Å²	33	82 Å²	82	15%	0.153	42%	0.423	C	S	.	.	H	α-helix	trans	-119.2	11	-176.9	-64	-77.4	0	0	0	113.3	D106 P117 Q122 H123 V125	D106-H120 IonicContact OD2-CE1 3.43Å; D106-H120 PolarHBondContact OD2-CE1 2.76Å; D106-H120 IonicContact OD2-ND1 3.8Å; D106-H120 PolarHBondContact OD2-ND1 3.19Å; D106-H120 VanDerWaalsContact OD2-ND1 3.12Å; P117-H120 PolarHBondContact O-N 2.72Å; H120-Q122 PolarHBondContact O-N 3.03Å; H120-Q122 VanDerWaalsContact O-N 3.17Å; H120-H123 HydrophobicContact CB-CB 4.38Å; H120-H123 AromaticContact ND1-ND1 3.52Å; H120-H123 PolarHBondContact O-N 2.83Å; H120-H123 VanDerWaalsContact O-N 3.08Å; H120-V125 HydrophobicContact CB-CG2 4.28Å
121	E	67	Low	74.5	Confident	163 Å²	163	81.7 Å²	81.7	76%	0.762	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.7	-177.4	-166.4	173.9	-172.1	0	0	112.7	P117	P117-E121 PolarHBondContact O-N 3.29Å; P117-E121 VanDerWaalsContact O-N 3.08Å
122	Q	75.3	Confident	75.1	Confident	186 Å²	186	88.3 Å²	88.3	87%	0.869	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	2.5	178.8	-60.2	-176.4	4.2	0	0	113.5	H120	H120-Q122 PolarHBondContact O-N 3.03Å; H120-Q122 VanDerWaalsContact O-N 3.17Å
123	H	81.9	Confident	76.2	Confident	62 Å²	62	88.1 Å²	88.1	29%	0.287	45%	0.448	S	S	.	.	S	Bend	trans	-95.1	149.6	-177.5	-67.9	-177.4	0	0	0	110.9	C103 D106 H120 V125	C103-H123 VanDerWaalsContact SG-CB 3.55Å; D106-H123 VanDerWaalsContact CG-ND1 3.33Å; D106-H123 IonicContact OD1-CE1 3.87Å; D106-H123 PolarHBondContact OD1-CE1 3.34Å; D106-H123 IonicContact OD1-ND1 3Å; D106-H123 PolarHBondContact OD1-ND1 3.12Å; D106-H123 IonicContact OD2-CE1 2.71Å; D106-H123 PolarHBondContact OD2-CE1 3.06Å; D106-H123 IonicContact OD2-CG 3.7Å; D106-H123 IonicContact OD2-ND1 3.26Å; D106-H123 PolarHBondContact OD2-ND1 3.33Å; H120-H123 HydrophobicContact CB-CB 4.38Å; H120-H123 AromaticContact ND1-ND1 3.52Å; H120-H123 PolarHBondContact O-N 2.83Å; H120-H123 VanDerWaalsContact O-N 3.08Å; H123-V125 PolarHBondContact O-N 2.94Å
124	Q	80.9	Confident	77.4	Confident	131 Å²	131	85.4 Å²	85.4	61%	0.612	44%	0.437	S	S	*	.			trans	-79.1	107.3	176.7	-168.5	-178	3.4	0	0	109.1	L104 T105	L104-Q124 HydrophobicContact CB-CB 4.36Å; L104-Q124 HydrophobicContact CD1-CG 3.99Å; L104-Q124 PolarHBondContact N-O 3.05Å; T105-Q124 PolarHBondContact OG1-N 2.87Å
125	V	83.1	Confident	78.6	Confident	55 Å²	55	85.5 Å²	85.5	33%	0.333	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.9	178.4	-176.8	0	0	0	0	109.6	L101 F102 C103 V110 H120 H123	L101-V125 HydrophobicContact CB-CG1 3.49Å; L101-V125 VanDerWaalsContact CB-CG1 3.49Å; L101-V125 HydrophobicContact CD1-CG1 3.76Å; L101-V125 HydrophobicContact CG-CG1 4.23Å; F102-V125 WeakPolarHBondContact O-CA 2.96Å; C103-V125 HydrophobicContact CB-CG2 4.41Å; V110-V125 HydrophobicContact CG2-CG1 4.07Å; H120-V125 HydrophobicContact CB-CG2 4.28Å; H123-V125 PolarHBondContact O-N 2.94Å
126	T	83.9	Confident	79.9	Confident	26 Å²	26	87.7 Å²	87.7	16%	0.16	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	173.9	-178.2	175.9	0	0	0	0	110.2	L101 F102 L104 E130 A131	L101-T126 WeakPolarHBondContact CA-O 3.05Å; L101-T126 WeakPolarHBondContact CB-O 3.47Å; F102-T126 PolarHBondContact N-O 2.97Å; F102-T126 PolarHBondContact O-N 3.41Å; L104-T126 HydrophobicContact CD1-CG2 3.83Å; L104-T126 HydrophobicContact CD2-CG2 4.27Å; L104-T126 HydrophobicContact CG-CG2 3.85Å; T126-E130 VanDerWaalsContact OG1-CB 3.22Å; T126-E130 WeakPolarHBondContact OG1-CB 3.22Å; T126-E130 PolarHBondContact OG1-OE2 2.7Å; T126-A131 HydrophobicContact CG2-CB 3.67Å
127	T	85.6	Confident	81.3	Confident	58 Å²	58	88 Å²	88	36%	0.356	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	158	173.8	65.7	0	0	0	0	110.9	L101 D129 E130 A131	L101-T127 HydrophobicContact CD2-CG2 4.49Å; T127-D129 VanDerWaalsContact C-N 3.27Å; T127-D129 PolarHBondContact O-N 3.08Å; T127-E130 WeakPolarHBondContact OG1-CB 3.27Å; T127-E130 VanDerWaalsContact OG1-CG 3.28Å; T127-E130 WeakPolarHBondContact OG1-CG 3.28Å; T127-E130 PolarHBondContact OG1-N 3.19Å; T127-E130 PolarHBondContact OG1-OE2 3.2Å; T127-E130 VanDerWaalsContact OG1-OE2 3.11Å; T127-A131 WeakPolarHBondContact O-CB 3.35Å; T127-A131 PolarHBondContact O-N 3.17Å
128	I	85.9	Confident	82.8	Confident	61 Å²	61	86.1 Å²	86.1	31%	0.313	42%	0.424	S	S	.	.	H	α-helix	trans	-60.2	-41.2	178.2	-67.2	175.4	0	0	0	111	K100 L109 A131 Y132	K100-I128 HydrophobicContact CB-CD1 3.57Å; K100-I128 HydrophobicContact CB-CG1 4.47Å; K100-I128 HydrophobicContact CD-CD1 4.49Å; L109-I128 HydrophobicContact CD2-CD1 3.84Å; L109-I128 HydrophobicContact CD2-CG1 3.83Å; I128-A131 PolarHBondContact O-N 3.1Å; I128-Y132 VanDerWaalsContact O-CB 3.22Å; I128-Y132 WeakPolarHBondContact O-CB 3.43Å; I128-Y132 PolarHBondContact O-N 3.02Å
129	D	84.8	Confident	84.2	Confident	121 Å²	121	88.1 Å²	88.1	65%	0.647	42%	0.422	S	S	*	.	H	α-helix	trans	-66.8	-46.3	-176.1	-62.9	-36.2	0	0	0	111.2	T127 Y132 E133	T127-D129 VanDerWaalsContact C-N 3.27Å; T127-D129 PolarHBondContact O-N 3.08Å; D129-Y132 PolarHBondContact O-N 2.73Å; D129-E133 WeakPolarHBondContact O-CG 3.2Å; D129-E133 PolarHBondContact O-N 3.13Å
130	E	86.8	Confident	85.7	Confident	114 Å²	114	89 Å²	89	53%	0.533	42%	0.421	S	S	.	.	H	α-helix	trans	-63.3	-43.1	175.7	-71.7	170.9	159.6	0	0	112	T126 T127 Y132 E133 E134	T126-E130 VanDerWaalsContact OG1-CB 3.22Å; T126-E130 WeakPolarHBondContact OG1-CB 3.22Å; T126-E130 PolarHBondContact OG1-OE2 2.7Å; T127-E130 WeakPolarHBondContact OG1-CB 3.27Å; T127-E130 VanDerWaalsContact OG1-CG 3.28Å; T127-E130 WeakPolarHBondContact OG1-CG 3.28Å; T127-E130 PolarHBondContact OG1-N 3.19Å; T127-E130 PolarHBondContact OG1-OE2 3.2Å; T127-E130 VanDerWaalsContact OG1-OE2 3.11Å; E130-Y132 VanDerWaalsContact C-N 3.35Å; E130-E133 PolarHBondContact O-N 2.88Å; E130-E134 WeakPolarHBondContact O-CB 3.3Å; E130-E134 PolarHBondContact O-N 3.29Å
131	A	87.9	Confident	87.1	Confident	2 Å²	2	92.5 Å²	92.5	2%	0.017	44%	0.437	C	S	.	.	H	α-helix	trans	-64.3	-38.8	174.6	0	0	0	0	0	112.6	F102 L104 T126 T127 I128 I135	F102-A131 HydrophobicContact CB-CB 3.48Å; F102-A131 VanDerWaalsContact CB-CB 3.48Å; F102-A131 HydrophobicContact CD1-CB 3.59Å; F102-A131 HydrophobicContact CE1-CB 4.5Å; F102-A131 HydrophobicContact CG-CB 3.62Å; L104-A131 HydrophobicContact CD2-CB 4.18Å; T126-A131 HydrophobicContact CG2-CB 3.67Å; T127-A131 WeakPolarHBondContact O-CB 3.35Å; T127-A131 PolarHBondContact O-N 3.17Å; I128-A131 PolarHBondContact O-N 3.1Å; A131-I135 HydrophobicContact CB-CD1 4.5Å; A131-I135 VanDerWaalsContact O-CB 3.26Å; A131-I135 WeakPolarHBondContact O-CB 3.48Å; A131-I135 VanDerWaalsContact O-CG1 3.24Å; A131-I135 WeakPolarHBondContact O-CG1 3.36Å; A131-I135 PolarHBondContact O-N 3.13Å
132	Y	88.4	Confident	88.5	Confident	140 Å²	140	90.6 Å²	90.6	55%	0.549	43%	0.428	S	S	.	.	H	α-helix	trans	-62.8	-49	178	176.3	-92.4	0	0	0	110.5	I128 D129 E130 Q136	I128-Y132 VanDerWaalsContact O-CB 3.22Å; I128-Y132 WeakPolarHBondContact O-CB 3.43Å; I128-Y132 PolarHBondContact O-N 3.02Å; D129-Y132 PolarHBondContact O-N 2.73Å; E130-Y132 VanDerWaalsContact C-N 3.35Å; Y132-Q136 WeakPolarHBondContact O-CB 3.31Å; Y132-Q136 PolarHBondContact O-N 3.21Å; Y132-Q136 PolarHBondContact OH-NE2 3.42Å
133	E	91.1	Very high	89.5	Confident	136 Å²	136	86.2 Å²	86.2	64%	0.636	41%	0.411	S	S	*	.	H	α-helix	trans	-60.6	-46.5	178.7	-72	-176.1	175.5	0	0	111.7	D129 E130 R137	D129-E133 WeakPolarHBondContact O-CG 3.2Å; D129-E133 PolarHBondContact O-N 3.13Å; E130-E133 PolarHBondContact O-N 2.88Å; E133-R137 VanDerWaalsContact O-CB 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.42Å; E133-R137 PolarHBondContact O-N 3.37Å
134	E	90.2	Very high	90.2	Very high	68 Å²	68	85.8 Å²	85.8	32%	0.318	42%	0.418	S	S	.	.	H	α-helix	trans	-66.9	-49.4	-178.8	-176.8	64.4	177.2	0	0	112.2	E130 Q136 R137 E138	E130-E134 WeakPolarHBondContact O-CB 3.3Å; E130-E134 PolarHBondContact O-N 3.29Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 3.02Å; E134-R137 WeakPolarHBondContact O-CB 3.29Å; E134-R137 PolarHBondContact O-N 2.87Å; E134-R137 IonicContact OE1-CZ 3.73Å; E134-R137 IonicContact OE1-NH2 3.2Å; E134-R137 PolarHBondContact OE1-NH2 3.36Å; E134-R137 IonicContact OE2-CZ 2.76Å; E134-R137 IonicContact OE2-NE 3.99Å; E134-R137 PolarHBondContact OE2-NE 2.9Å; E134-R137 IonicContact OE2-NH2 3.61Å; E134-R137 PolarHBondContact OE2-NH2 2.95Å; E134-E138 WeakPolarHBondContact O-CG 3.42Å; E134-E138 PolarHBondContact O-N 3.48Å
135	I	89.7	Confident	91	Very high	25 Å²	25	82.9 Å²	82.9	13%	0.128	41%	0.412	C	S	.	.	H	α-helix	trans	-66.7	-38	179.4	-66.5	170.7	0	0	0	110.8	F102 L104 K107 A131 R137 E138 M139	F102-I135 HydrophobicContact CD1-CD1 3.97Å; F102-I135 HydrophobicContact CE1-CD1 3.24Å; F102-I135 HydrophobicContact CE2-CD1 4.41Å; F102-I135 HydrophobicContact CZ-CD1 3.49Å; F102-I135 VanDerWaalsContact CZ-CD1 3.49Å; L104-I135 HydrophobicContact CD2-CD1 4.14Å; L104-I135 HydrophobicContact CD2-CG1 4.26Å; K107-I135 HydrophobicContact CD-CD1 4.16Å; A131-I135 HydrophobicContact CB-CD1 4.5Å; A131-I135 VanDerWaalsContact O-CB 3.26Å; A131-I135 WeakPolarHBondContact O-CB 3.48Å; A131-I135 VanDerWaalsContact O-CG1 3.24Å; A131-I135 WeakPolarHBondContact O-CG1 3.36Å; A131-I135 PolarHBondContact O-N 3.13Å; I135-R137 VanDerWaalsContact C-N 3.3Å; I135-R137 PolarHBondContact O-N 3.44Å; I135-E138 PolarHBondContact O-N 2.93Å; I135-M139 HydrophobicContact CG2-CE 3.7Å; I135-M139 HydrophobicContact CG2-CG 4.28Å; I135-M139 HydrophobicContact CG2-SD 4.09Å; I135-M139 WeakPolarHBondContact O-CB 3.25Å; I135-M139 VanDerWaalsContact O-CG 3.26Å; I135-M139 WeakPolarHBondContact O-CG 3.46Å; I135-M139 PolarHBondContact O-N 3.19Å
136	Q	92.8	Very high	91.7	Very high	67 Å²	67	85.8 Å²	85.8	31%	0.313	43%	0.425	S	S	.	.	H	α-helix	trans	-64.2	-38.6	175.5	-173	-174.7	60.8	0	0	111.1	Y132 E134 K140	Y132-Q136 WeakPolarHBondContact O-CB 3.31Å; Y132-Q136 PolarHBondContact O-N 3.21Å; Y132-Q136 PolarHBondContact OH-NE2 3.42Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 3.02Å; Q136-K140 HydrophobicContact CG-CD 4.32Å; Q136-K140 WeakPolarHBondContact O-CB 3.29Å; Q136-K140 VanDerWaalsContact O-CG 3.27Å; Q136-K140 WeakPolarHBondContact O-CG 3.42Å; Q136-K140 PolarHBondContact O-N 3.08Å
137	R	93.6	Very high	92.3	Very high	111 Å²	111	89.7 Å²	89.7	42%	0.419	44%	0.442	S	S	.	.	H	α-helix	trans	-63.8	-50.7	173.9	-175.2	-177.9	68.5	88.5	-5.1	111.1	E133 E134 I135 M139 K140 E141	E133-R137 VanDerWaalsContact O-CB 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.42Å; E133-R137 PolarHBondContact O-N 3.37Å; E134-R137 WeakPolarHBondContact O-CB 3.29Å; E134-R137 PolarHBondContact O-N 2.87Å; E134-R137 IonicContact OE1-CZ 3.73Å; E134-R137 IonicContact OE1-NH2 3.2Å; E134-R137 PolarHBondContact OE1-NH2 3.36Å; E134-R137 IonicContact OE2-CZ 2.76Å; E134-R137 IonicContact OE2-NE 3.99Å; E134-R137 PolarHBondContact OE2-NE 2.9Å; E134-R137 IonicContact OE2-NH2 3.61Å; E134-R137 PolarHBondContact OE2-NH2 2.95Å; I135-R137 VanDerWaalsContact C-N 3.3Å; I135-R137 PolarHBondContact O-N 3.44Å; R137-M139 VanDerWaalsContact C-N 3.31Å; R137-M139 PolarHBondContact O-N 2.98Å; R137-K140 PolarHBondContact O-N 2.94Å; R137-K140 VanDerWaalsContact O-N 3.13Å; R137-E141 IonicContact CZ-OE1 3.83Å; R137-E141 IonicContact NH1-OE1 2.66Å; R137-E141 PolarHBondContact NH1-OE1 3.18Å; R137-E141 IonicContact NH1-OE2 3.24Å; R137-E141 WeakPolarHBondContact O-CG 3.49Å; R137-E141 PolarHBondContact O-N 3.49Å
138	E	93.4	Very high	92.8	Very high	69 Å²	69	92.8 Å²	92.8	32%	0.322	46%	0.456	S	S	.	.	H	α-helix	trans	-53.8	-46.8	175.2	-73.2	-179	164.4	0	0	111.5	K107 E134 I135 K140 E141 Q142	K107-E138 IonicContact NZ-OE2 2.74Å; K107-E138 PolarHBondContact NZ-OE2 2.74Å; E134-E138 WeakPolarHBondContact O-CG 3.42Å; E134-E138 PolarHBondContact O-N 3.48Å; I135-E138 PolarHBondContact O-N 2.93Å; E138-K140 PolarHBondContact O-N 3.03Å; E138-E141 PolarHBondContact O-N 2.93Å; E138-Q142 WeakPolarHBondContact O-CB 3.05Å; E138-Q142 WeakPolarHBondContact O-CG 3.39Å; E138-Q142 PolarHBondContact O-N 3.4Å
139	M	94.9	Very high	93.4	Very high	119 Å²	119	92.4 Å²	92.4	59%	0.586	46%	0.458	S	S	*	.	H	α-helix	trans	-65.4	-37.5	178.8	-74.7	-177.7	176.3	0	0	112.7	I135 R137 Q142 L143	I135-M139 HydrophobicContact CG2-CE 3.7Å; I135-M139 HydrophobicContact CG2-CG 4.28Å; I135-M139 HydrophobicContact CG2-SD 4.09Å; I135-M139 WeakPolarHBondContact O-CB 3.25Å; I135-M139 VanDerWaalsContact O-CG 3.26Å; I135-M139 WeakPolarHBondContact O-CG 3.46Å; I135-M139 PolarHBondContact O-N 3.19Å; R137-M139 VanDerWaalsContact C-N 3.31Å; R137-M139 PolarHBondContact O-N 2.98Å; M139-Q142 PolarHBondContact O-N 3.04Å; M139-L143 VanDerWaalsContact O-CB 3.32Å; M139-L143 WeakPolarHBondContact O-CB 3.32Å; M139-L143 PolarHBondContact O-N 2.88Å
140	K	95.5	Very high	94	Very high	122 Å²	122	93 Å²	93	53%	0.53	46%	0.457	S	S	.	.	H	α-helix	trans	-66.5	-41.1	175.2	-77.5	170.2	-179.2	165.9	0	111.4	Q136 R137 E138 L143 A144	Q136-K140 HydrophobicContact CG-CD 4.32Å; Q136-K140 WeakPolarHBondContact O-CB 3.29Å; Q136-K140 VanDerWaalsContact O-CG 3.27Å; Q136-K140 WeakPolarHBondContact O-CG 3.42Å; Q136-K140 PolarHBondContact O-N 3.08Å; R137-K140 PolarHBondContact O-N 2.94Å; R137-K140 VanDerWaalsContact O-N 3.13Å; E138-K140 PolarHBondContact O-N 3.03Å; K140-L143 PolarHBondContact O-N 2.73Å; K140-A144 WeakPolarHBondContact O-CB 3.49Å; K140-A144 PolarHBondContact O-N 3.05Å
141	E	96.8	Very high	94.4	Very high	106 Å²	106	93.5 Å²	93.5	50%	0.495	46%	0.458	S	S	.	.	H	α-helix	trans	-63.9	-45.1	174.9	-71.1	173	-167.9	0	0	111.1	R137 E138 L143 A144 S145	R137-E141 IonicContact CZ-OE1 3.83Å; R137-E141 IonicContact NH1-OE1 2.66Å; R137-E141 PolarHBondContact NH1-OE1 3.18Å; R137-E141 IonicContact NH1-OE2 3.24Å; R137-E141 WeakPolarHBondContact O-CG 3.49Å; R137-E141 PolarHBondContact O-N 3.49Å; E138-E141 PolarHBondContact O-N 2.93Å; E141-L143 PolarHBondContact O-N 3.12Å; E141-A144 PolarHBondContact O-N 3.37Å; E141-S145 PolarHBondContact O-N 3.26Å
142	Q	96	Very high	94.9	Very high	123 Å²	123	95.2 Å²	95.2	58%	0.575	48%	0.475	S	S	*	.	H	α-helix	trans	-60	-45.2	173.5	-74.7	-177.7	-7.6	0	0	111.9	E138 M139 A144 S145 L146	E138-Q142 WeakPolarHBondContact O-CB 3.05Å; E138-Q142 WeakPolarHBondContact O-CG 3.39Å; E138-Q142 PolarHBondContact O-N 3.4Å; M139-Q142 PolarHBondContact O-N 3.04Å; Q142-A144 PolarHBondContact O-N 2.88Å; Q142-S145 PolarHBondContact O-N 3.18Å; Q142-S145 PolarHBondContact O-OG 2.77Å; Q142-L146 WeakPolarHBondContact O-CG 3.38Å; Q142-L146 PolarHBondContact O-N 3.19Å
143	L	96.6	Very high	95.3	Very high	95 Å²	95	94.2 Å²	94.2	50%	0.497	48%	0.476	S	S	.	.	H	α-helix	trans	-59.7	-45.8	176.5	179.1	63.2	0	0	0	111.6	M139 K140 E141 S145 L146 Q147	M139-L143 VanDerWaalsContact O-CB 3.32Å; M139-L143 WeakPolarHBondContact O-CB 3.32Å; M139-L143 PolarHBondContact O-N 2.88Å; K140-L143 PolarHBondContact O-N 2.73Å; E141-L143 PolarHBondContact O-N 3.12Å; L143-S145 PolarHBondContact O-N 2.85Å; L143-L146 PolarHBondContact O-N 3.25Å; L143-Q147 HydrophobicContact CD1-CG 4.38Å; L143-Q147 WeakPolarHBondContact O-CG 3.42Å; L143-Q147 PolarHBondContact O-N 3.17Å
144	A	96.9	Very high	95.6	Very high	52 Å²	52	90.2 Å²	90.2	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-60.7	-44.8	177.9	0	0	0	0	0	111.4	K140 E141 Q142 L146 Q147 D148	K140-A144 WeakPolarHBondContact O-CB 3.49Å; K140-A144 PolarHBondContact O-N 3.05Å; E141-A144 PolarHBondContact O-N 3.37Å; Q142-A144 PolarHBondContact O-N 2.88Å; A144-L146 VanDerWaalsContact C-N 3.35Å; A144-L146 PolarHBondContact O-N 3.4Å; A144-Q147 PolarHBondContact O-N 3.17Å; A144-D148 PolarHBondContact O-N 2.88Å
145	S	96.9	Very high	95.9	Very high	71 Å²	71	92.5 Å²	92.5	50%	0.497	47%	0.473	S	S	.	.	H	α-helix	trans	-63.3	-37.4	176.3	70.3	0	0	0	0	113.3	E141 Q142 L143 S149	E141-S145 PolarHBondContact O-N 3.26Å; Q142-S145 PolarHBondContact O-N 3.18Å; Q142-S145 PolarHBondContact O-OG 2.77Å; L143-S145 PolarHBondContact O-N 2.85Å; S145-S149 WeakPolarHBondContact O-CB 3.41Å; S145-S149 PolarHBondContact O-N 3.2Å
146	L	97.2	Very high	96.3	Very high	116 Å²	116	93.6 Å²	93.6	61%	0.607	49%	0.486	S	S	*	.	H	α-helix	trans	-67.2	-39.2	175.6	-74.8	173.2	0	0	0	111.8	Q142 L143 A144 S149 E150	Q142-L146 WeakPolarHBondContact O-CG 3.38Å; Q142-L146 PolarHBondContact O-N 3.19Å; L143-L146 PolarHBondContact O-N 3.25Å; A144-L146 VanDerWaalsContact C-N 3.35Å; A144-L146 PolarHBondContact O-N 3.4Å; L146-S149 PolarHBondContact O-N 2.75Å; L146-E150 WeakPolarHBondContact O-CB 3.47Å; L146-E150 PolarHBondContact O-N 2.59Å
147	Q	97.5	Very high	96.5	Very high	108 Å²	108	94.8 Å²	94.8	51%	0.505	49%	0.494	S	S	.	.	H	α-helix	trans	-65.9	-42.3	176.1	-73.3	174.6	-28.7	0	0	112.1	L143 A144 S149 E150 K151	L143-Q147 HydrophobicContact CD1-CG 4.38Å; L143-Q147 WeakPolarHBondContact O-CG 3.42Å; L143-Q147 PolarHBondContact O-N 3.17Å; A144-Q147 PolarHBondContact O-N 3.17Å; Q147-S149 VanDerWaalsContact C-N 3.33Å; Q147-E150 PolarHBondContact O-N 3.17Å; Q147-K151 PolarHBondContact O-N 3.49Å
148	D	96.4	Very high	96.7	Very high	122 Å²	122	95.5 Å²	95.5	65%	0.652	50%	0.502	S	S	*	.	H	α-helix	trans	-64.4	-40.4	174.7	-114.9	23.7	0	0	0	111.3	A144 K151 G152	A144-D148 PolarHBondContact O-N 2.88Å; D148-K151 PolarHBondContact O-N 2.85Å; D148-G152 PolarHBondContact O-N 3.1Å
149	S	97.1	Very high	96.9	Very high	53 Å²	53	95.9 Å²	95.9	37%	0.371	51%	0.506	S	S	.	.	H	α-helix	trans	-62.6	-45.1	173.6	-175.9	0	0	0	0	112.1	S145 L146 Q147 K151 G152 H153	S145-S149 WeakPolarHBondContact O-CB 3.41Å; S145-S149 PolarHBondContact O-N 3.2Å; L146-S149 PolarHBondContact O-N 2.75Å; Q147-S149 VanDerWaalsContact C-N 3.33Å; S149-K151 VanDerWaalsContact C-N 3.31Å; S149-K151 PolarHBondContact O-N 2.82Å; S149-G152 PolarHBondContact O-N 3.39Å; S149-H153 PolarHBondContact O-N 2.97Å; S149-H153 PolarHBondContact O-ND1 3.24Å; S149-H153 PolarHBondContact OG-CE1 3.16Å; S149-H153 VanDerWaalsContact OG-CE1 3.31Å; S149-H153 PolarHBondContact OG-ND1 2.81Å
150	E	97.4	Very high	96.9	Very high	133 Å²	133	95.1 Å²	95.1	62%	0.621	50%	0.504	S	S	*	.	H	α-helix	trans	-58.2	-43.8	176.6	-178.8	-173.7	-166	0	0	111.3	L146 Q147 H153 S154	L146-E150 WeakPolarHBondContact O-CB 3.47Å; L146-E150 PolarHBondContact O-N 2.59Å; Q147-E150 PolarHBondContact O-N 3.17Å; E150-H153 PolarHBondContact O-N 2.93Å; E150-S154 WeakPolarHBondContact O-CB 3.37Å; E150-S154 PolarHBondContact O-N 2.8Å; E150-S154 PolarHBondContact O-OG 2.83Å
151	K	96.9	Very high	97	Very high	126 Å²	126	96.8 Å²	96.8	55%	0.548	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-48.7	176	-175	-177.3	174.4	-171.2	0	111.3	Q147 D148 S149 H153 S154 E155	Q147-K151 PolarHBondContact O-N 3.49Å; D148-K151 PolarHBondContact O-N 2.85Å; S149-K151 VanDerWaalsContact C-N 3.31Å; S149-K151 PolarHBondContact O-N 2.82Å; K151-H153 PolarHBondContact O-N 3.43Å; K151-S154 WeakPolarHBondContact O-CB 3.25Å; K151-S154 PolarHBondContact O-N 2.97Å; K151-E155 VanDerWaalsContact CE-OE1 3.25Å; K151-E155 WeakPolarHBondContact CE-OE1 3.42Å; K151-E155 WeakPolarHBondContact O-CG 3.49Å; K151-E155 PolarHBondContact O-N 3.44Å
152	G	97.4	Very high	97	Very high	37 Å²	37	98.4 Å²	98.4	38%	0.381	51%	0.508	S	S	.	.	H	α-helix	trans	-59.3	-43	177.1	0	0	0	0	0	113	D148 S149 E155 A156	D148-G152 PolarHBondContact O-N 3.1Å; S149-G152 PolarHBondContact O-N 3.39Å; G152-E155 PolarHBondContact O-N 3.21Å; G152-A156 WeakPolarHBondContact O-CB 3.31Å; G152-A156 PolarHBondContact O-N 2.76Å
153	H	96.8	Very high	97	Very high	120 Å²	120	96.8 Å²	96.8	56%	0.556	50%	0.501	S	S	*	.	H	α-helix	trans	-66.3	-38	176.1	-75.7	88.2	0	0	0	112.4	S149 E150 K151 A156 L157	S149-H153 PolarHBondContact O-N 2.97Å; S149-H153 PolarHBondContact O-ND1 3.24Å; S149-H153 PolarHBondContact OG-CE1 3.16Å; S149-H153 VanDerWaalsContact OG-CE1 3.31Å; S149-H153 PolarHBondContact OG-ND1 2.81Å; E150-H153 PolarHBondContact O-N 2.93Å; K151-H153 PolarHBondContact O-N 3.43Å; H153-A156 PolarHBondContact O-N 3.2Å; H153-L157 WeakPolarHBondContact O-CB 3.14Å; H153-L157 WeakPolarHBondContact O-CG 3.37Å; H153-L157 PolarHBondContact O-N 3.21Å
154	S	97.3	Very high	97	Very high	52 Å²	52	97 Å²	97	36%	0.364	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-46	176.4	-63.5	0	0	0	0	111.3	E150 K151 L157 H158	E150-S154 WeakPolarHBondContact O-CB 3.37Å; E150-S154 PolarHBondContact O-N 2.8Å; E150-S154 PolarHBondContact O-OG 2.83Å; K151-S154 WeakPolarHBondContact O-CB 3.25Å; K151-S154 PolarHBondContact O-N 2.97Å; S154-L157 PolarHBondContact O-N 2.76Å; S154-H158 PolarHBondContact O-CD2 3.09Å; S154-H158 PolarHBondContact O-N 3.02Å
155	E	97.6	Very high	97	Very high	116 Å²	116	98.5 Å²	98.5	54%	0.542	51%	0.506	S	S	.	.	H	α-helix	trans	-61.3	-43.8	175.3	-71.3	175.7	-170.7	0	0	111.8	K151 G152 L157 H158 L159	K151-E155 VanDerWaalsContact CE-OE1 3.25Å; K151-E155 WeakPolarHBondContact CE-OE1 3.42Å; K151-E155 WeakPolarHBondContact O-CG 3.49Å; K151-E155 PolarHBondContact O-N 3.44Å; G152-E155 PolarHBondContact O-N 3.21Å; E155-L157 PolarHBondContact O-N 3.43Å; E155-H158 PolarHBondContact O-N 2.83Å; E155-L159 PolarHBondContact O-N 3.28Å
156	A	97.3	Very high	96.9	Very high	48 Å²	48	99.6 Å²	99.6	40%	0.397	50%	0.503	S	S	.	.	H	α-helix	trans	-61.6	-43.7	175.6	0	0	0	0	0	112.3	G152 H153 H158 L159 L160	G152-A156 WeakPolarHBondContact O-CB 3.31Å; G152-A156 PolarHBondContact O-N 2.76Å; H153-A156 PolarHBondContact O-N 3.2Å; A156-H158 PolarHBondContact O-N 3.44Å; A156-L159 PolarHBondContact O-N 3.27Å; A156-L160 WeakPolarHBondContact O-CG 3.38Å; A156-L160 PolarHBondContact O-N 2.96Å
157	L	97.8	Very high	96.6	Very high	92 Å²	92	98.6 Å²	98.6	48%	0.482	50%	0.502	S	S	.	.	H	α-helix	trans	-63.2	-40.6	175.7	-78.9	173	0	0	0	112.1	H153 S154 E155 L160 R161	H153-L157 WeakPolarHBondContact O-CB 3.14Å; H153-L157 WeakPolarHBondContact O-CG 3.37Å; H153-L157 PolarHBondContact O-N 3.21Å; S154-L157 PolarHBondContact O-N 2.76Å; E155-L157 PolarHBondContact O-N 3.43Å; L157-L160 PolarHBondContact O-N 3.1Å; L157-R161 WeakPolarHBondContact O-CB 3.38Å; L157-R161 VanDerWaalsContact O-CG 3.27Å; L157-R161 WeakPolarHBondContact O-CG 3.01Å; L157-R161 PolarHBondContact O-N 2.91Å
158	H	96.8	Very high	96.5	Very high	126 Å²	126	100 Å²	100	58%	0.583	51%	0.506	S	S	*	.	H	α-helix	trans	-62.2	-43.8	174.3	-81.9	-66.7	0	0	0	111.8	S154 E155 A156 R161 R162	S154-H158 PolarHBondContact O-CD2 3.09Å; S154-H158 PolarHBondContact O-N 3.02Å; E155-H158 PolarHBondContact O-N 2.83Å; A156-H158 PolarHBondContact O-N 3.44Å; H158-R161 PolarHBondContact O-N 3.34Å; H158-R162 PolarHBondContact O-N 3.31Å
159	L	97	Very high	96.4	Very high	77 Å²	77	97.5 Å²	97.5	40%	0.403	50%	0.498	S	S	.	.	H	α-helix	trans	-61.1	-47.5	176.2	-179.8	62.1	0	0	0	111.8	E155 A156 R161 R162 Q163	E155-L159 PolarHBondContact O-N 3.28Å; A156-L159 PolarHBondContact O-N 3.27Å; L159-R161 PolarHBondContact O-N 3.46Å; L159-R162 VanDerWaalsContact CD1-NH2 3.33Å; L159-R162 PolarHBondContact O-N 2.92Å; L159-Q163 WeakPolarHBondContact O-CG 3.3Å; L159-Q163 PolarHBondContact O-N 3.14Å
160	L	96.8	Very high	96.1	Very high	103 Å²	103	98.5 Å²	98.5	54%	0.539	51%	0.505	S	S	.	.	H	α-helix	trans	-63.8	-40.6	179	-72.2	171.8	0	0	0	112.2	A156 L157 R162 Q163 L164	A156-L160 WeakPolarHBondContact O-CG 3.38Å; A156-L160 PolarHBondContact O-N 2.96Å; L157-L160 PolarHBondContact O-N 3.1Å; L160-R162 VanDerWaalsContact C-N 3.35Å; L160-Q163 PolarHBondContact O-N 3.33Å; L160-L164 WeakPolarHBondContact O-CB 3.39Å; L160-L164 PolarHBondContact O-N 2.9Å
161	R	97.6	Very high	95.8	Very high	156 Å²	156	94.2 Å²	94.2	59%	0.589	49%	0.493	S	S	*	.	H	α-helix	trans	-61.8	-43	174.6	-76.7	174.5	179	172.7	1.5	111.4	L157 H158 L159 L164 T165	L157-R161 WeakPolarHBondContact O-CB 3.38Å; L157-R161 VanDerWaalsContact O-CG 3.27Å; L157-R161 WeakPolarHBondContact O-CG 3.01Å; L157-R161 PolarHBondContact O-N 2.91Å; H158-R161 PolarHBondContact O-N 3.34Å; L159-R161 PolarHBondContact O-N 3.46Å; R161-L164 WeakPolarHBondContact O-CB 3.2Å; R161-L164 PolarHBondContact O-N 2.99Å; R161-T165 WeakPolarHBondContact O-CG2 3.48Å; R161-T165 PolarHBondContact O-N 3.01Å; R161-T165 VanDerWaalsContact O-N 3.09Å; R161-T165 PolarHBondContact O-OG1 3.37Å
162	R	96.7	Very high	95.6	Very high	140 Å²	140	95.9 Å²	95.9	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-61.2	-51.7	175.3	-174.6	178.6	68.6	-178.5	-1.1	111	H158 L159 L160 L164 T165 E166	H158-R162 PolarHBondContact O-N 3.31Å; L159-R162 VanDerWaalsContact CD1-NH2 3.33Å; L159-R162 PolarHBondContact O-N 2.92Å; L160-R162 VanDerWaalsContact C-N 3.35Å; R162-L164 VanDerWaalsContact C-N 3.26Å; R162-L164 PolarHBondContact O-N 3.23Å; R162-T165 PolarHBondContact O-N 3.38Å; R162-T165 PolarHBondContact O-OG1 2.72Å; R162-E166 WeakPolarHBondContact CD-OE1 3.29Å; R162-E166 HydrophobicContact CG-CG 4.28Å; R162-E166 VanDerWaalsContact CG-OE1 3.25Å; R162-E166 WeakPolarHBondContact CG-OE1 3.24Å; R162-E166 IonicContact NE-OE1 2.96Å; R162-E166 WeakPolarHBondContact O-CG 3.27Å; R162-E166 PolarHBondContact O-N 2.97Å
163	Q	95.9	Very high	95.3	Very high	90 Å²	90	97.6 Å²	97.6	42%	0.421	51%	0.506	S	S	.	.	H	α-helix	trans	-55.7	-40.1	176.9	-75.5	-179.5	-26.3	0	0	112.4	L159 L160 E166 T167	L159-Q163 WeakPolarHBondContact O-CG 3.3Å; L159-Q163 PolarHBondContact O-N 3.14Å; L160-Q163 PolarHBondContact O-N 3.33Å; Q163-E166 PolarHBondContact O-N 3.48Å; Q163-T167 VanDerWaalsContact O-CB 3.25Å; Q163-T167 WeakPolarHBondContact O-CB 3.41Å; Q163-T167 PolarHBondContact O-N 3.07Å; Q163-T167 PolarHBondContact O-OG1 3.37Å
164	L	96.2	Very high	95	Very high	98 Å²	98	96.8 Å²	96.8	51%	0.513	51%	0.505	S	S	.	.	H	α-helix	trans	-61.6	-45.7	176	-179.7	65.9	0	0	0	111.7	L160 R161 R162 K168	L160-L164 WeakPolarHBondContact O-CB 3.39Å; L160-L164 PolarHBondContact O-N 2.9Å; R161-L164 WeakPolarHBondContact O-CB 3.2Å; R161-L164 PolarHBondContact O-N 2.99Å; R162-L164 VanDerWaalsContact C-N 3.26Å; R162-L164 PolarHBondContact O-N 3.23Å; L164-K168 HydrophobicContact CG-CD 4.47Å; L164-K168 WeakPolarHBondContact O-CB 3.33Å; L164-K168 WeakPolarHBondContact O-CG 3.43Å; L164-K168 PolarHBondContact O-N 3.38Å
165	T	96.3	Very high	94.8	Very high	85 Å²	85	103.3 Å²	103.3	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-67.7	-41	178.6	57.4	0	0	0	0	112.7	R161 R162 K168 S169	R161-T165 WeakPolarHBondContact O-CG2 3.48Å; R161-T165 PolarHBondContact O-N 3.01Å; R161-T165 VanDerWaalsContact O-N 3.09Å; R161-T165 PolarHBondContact O-OG1 3.37Å; R162-T165 PolarHBondContact O-N 3.38Å; R162-T165 PolarHBondContact O-OG1 2.72Å; T165-K168 PolarHBondContact O-N 3.43Å; T165-S169 WeakPolarHBondContact O-CB 3.5Å; T165-S169 PolarHBondContact O-N 3.37Å; T165-S169 PolarHBondContact O-OG 3.03Å
166	E	94.4	Very high	94.5	Very high	93 Å²	93	100.3 Å²	100.3	44%	0.435	52%	0.517	S	S	.	.	H	α-helix	trans	-64.7	-42.2	176.3	-72.8	171.6	175.6	0	0	111.3	R162 Q163 S169 S170	R162-E166 WeakPolarHBondContact CD-OE1 3.29Å; R162-E166 HydrophobicContact CG-CG 4.28Å; R162-E166 VanDerWaalsContact CG-OE1 3.25Å; R162-E166 WeakPolarHBondContact CG-OE1 3.24Å; R162-E166 IonicContact NE-OE1 2.96Å; R162-E166 WeakPolarHBondContact O-CG 3.27Å; R162-E166 PolarHBondContact O-N 2.97Å; Q163-E166 PolarHBondContact O-N 3.48Å; E166-S169 WeakPolarHBondContact CA-OG 3.49Å; E166-S169 PolarHBondContact O-OG 2.71Å; E166-S170 WeakPolarHBondContact O-CB 3.35Å; E166-S170 PolarHBondContact O-N 3.39Å; E166-S170 PolarHBondContact O-OG 2.8Å
167	T	92.4	Very high	94.1	Very high	95 Å²	95	101.3 Å²	101.3	58%	0.583	52%	0.518	S	S	*	.	H	α-helix	trans	-65.5	-44.4	177.4	-58.2	0	0	0	0	111.1	Q163 S170 A171	Q163-T167 VanDerWaalsContact O-CB 3.25Å; Q163-T167 WeakPolarHBondContact O-CB 3.41Å; Q163-T167 PolarHBondContact O-N 3.07Å; Q163-T167 PolarHBondContact O-OG1 3.37Å; T167-S170 PolarHBondContact O-N 3.1Å; T167-A171 WeakPolarHBondContact O-CB 3.36Å; T167-A171 PolarHBondContact O-N 3.33Å
168	K	94.8	Very high	93.8	Very high	139 Å²	139	101.1 Å²	101.1	60%	0.604	52%	0.517	S	S	*	.	H	α-helix	trans	-62.2	-45.9	177.4	-78.2	179.9	178	-179.1	0	112.3	L164 T165 A171 K172	L164-K168 HydrophobicContact CG-CD 4.47Å; L164-K168 WeakPolarHBondContact O-CB 3.33Å; L164-K168 WeakPolarHBondContact O-CG 3.43Å; L164-K168 PolarHBondContact O-N 3.38Å; T165-K168 PolarHBondContact O-N 3.43Å; K168-A171 PolarHBondContact O-N 3.01Å; K168-K172 PolarHBondContact O-N 3.34Å
169	S	94.2	Very high	93.6	Very high	69 Å²	69	96.9 Å²	96.9	48%	0.483	51%	0.507	S	S	.	.	H	α-helix	trans	-65.7	-43	177.9	54.2	0	0	0	0	111.6	T165 E166 A171 K172 S173	T165-S169 WeakPolarHBondContact O-CB 3.5Å; T165-S169 PolarHBondContact O-N 3.37Å; T165-S169 PolarHBondContact O-OG 3.03Å; E166-S169 WeakPolarHBondContact CA-OG 3.49Å; E166-S169 PolarHBondContact O-OG 2.71Å; S169-A171 PolarHBondContact O-N 2.9Å; S169-K172 PolarHBondContact O-N 3.47Å; S169-S173 PolarHBondContact O-N 2.87Å
170	S	90	Very high	93.3	Very high	73 Å²	73	98.1 Å²	98.1	51%	0.51	51%	0.514	S	S	.	.	H	α-helix	trans	-59.2	-45.3	174.2	-61.4	0	0	0	0	111.9	E166 T167 K172 S173 L174	E166-S170 WeakPolarHBondContact O-CB 3.35Å; E166-S170 PolarHBondContact O-N 3.39Å; E166-S170 PolarHBondContact O-OG 2.8Å; T167-S170 PolarHBondContact O-N 3.1Å; S170-K172 VanDerWaalsContact C-N 3.35Å; S170-K172 PolarHBondContact O-N 3.04Å; S170-S173 PolarHBondContact O-N 3.08Å; S170-L174 WeakPolarHBondContact O-CB 3.37Å; S170-L174 PolarHBondContact O-N 3.01Å
171	A	91.8	Very high	92.9	Very high	44 Å²	44	95.7 Å²	95.7	36%	0.364	51%	0.509	S	S	.	.	H	α-helix	trans	-63.5	-38.3	177	0	0	0	0	0	112.6	T167 K168 S169 R175	T167-A171 WeakPolarHBondContact O-CB 3.36Å; T167-A171 PolarHBondContact O-N 3.33Å; K168-A171 PolarHBondContact O-N 3.01Å; S169-A171 PolarHBondContact O-N 2.9Å; A171-R175 PolarHBondContact O-N 2.83Å
172	K	93.4	Very high	92.7	Very high	160 Å²	160	94 Å²	94	70%	0.696	51%	0.506	S	S	*	.	H	α-helix	trans	-64.8	-46.6	174.4	-173.3	-177.3	178.6	-176.7	0	111.2	K168 S169 S170 L174 R175 A176	K168-K172 PolarHBondContact O-N 3.34Å; S169-K172 PolarHBondContact O-N 3.47Å; S170-K172 VanDerWaalsContact C-N 3.35Å; S170-K172 PolarHBondContact O-N 3.04Å; K172-L174 VanDerWaalsContact C-N 3.33Å; K172-L174 PolarHBondContact O-N 3.05Å; K172-R175 PolarHBondContact O-N 3.47Å; K172-A176 PolarHBondContact O-N 3.03Å
173	S	90.8	Very high	92.5	Very high	73 Å²	73	90.9 Å²	90.9	51%	0.51	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-40.7	177.3	-171.1	0	0	0	0	111.9	S169 S170 A176 T177	S169-S173 PolarHBondContact O-N 2.87Å; S170-S173 PolarHBondContact O-N 3.08Å; S173-A176 PolarHBondContact O-N 2.92Å; S173-T177 PolarHBondContact O-N 2.96Å; S173-T177 PolarHBondContact O-OG1 3.41Å
174	L	89.9	Confident	92.2	Very high	104 Å²	104	94.9 Å²	94.9	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-65.6	-43	177.4	-177.5	60.8	0	0	0	111.3	S170 K172 A176 T177 I178	S170-L174 WeakPolarHBondContact O-CB 3.37Å; S170-L174 PolarHBondContact O-N 3.01Å; K172-L174 VanDerWaalsContact C-N 3.33Å; K172-L174 PolarHBondContact O-N 3.05Å; L174-A176 VanDerWaalsContact C-N 3.32Å; L174-A176 PolarHBondContact O-N 2.84Å; L174-T177 PolarHBondContact O-N 2.81Å; L174-I178 HydrophobicContact CD1-CD1 4.13Å; L174-I178 HydrophobicContact CD1-CG1 4.27Å; L174-I178 HydrophobicContact CG-CD1 3.9Å; L174-I178 HydrophobicContact CG-CG1 4.46Å; L174-I178 VanDerWaalsContact O-CG1 3.31Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 2.82Å
175	R	93.1	Very high	91.9	Very high	188 Å²	188	93.1 Å²	93.1	71%	0.709	50%	0.5	S	S	*	.	H	α-helix	trans	-56.8	-45.5	173	-88.1	-164.8	-162	95.7	0.9	112.3	A171 K172 I178 G179	A171-R175 PolarHBondContact O-N 2.83Å; K172-R175 PolarHBondContact O-N 3.47Å; R175-I178 PolarHBondContact O-N 2.83Å; R175-G179 PolarHBondContact O-N 2.84Å
176	A	92.2	Very high	91.8	Very high	53 Å²	53	93.2 Å²	93.2	44%	0.438	49%	0.494	S	S	.	.	H	α-helix	trans	-62	-46.4	177.8	0	0	0	0	0	111	K172 S173 L174 I178 G179 D180	K172-A176 PolarHBondContact O-N 3.03Å; S173-A176 PolarHBondContact O-N 2.92Å; L174-A176 VanDerWaalsContact C-N 3.32Å; L174-A176 PolarHBondContact O-N 2.84Å; A176-I178 VanDerWaalsContact C-N 3.35Å; A176-I178 PolarHBondContact O-N 3.35Å; A176-G179 PolarHBondContact O-N 3.28Å; A176-G179 VanDerWaalsContact O-N 3.15Å; A176-D180 WeakPolarHBondContact O-CB 3.35Å; A176-D180 VanDerWaalsContact O-CG 3.27Å; A176-D180 PolarHBondContact O-N 2.87Å
177	T	88.8	Confident	91.7	Very high	69 Å²	69	94 Å²	94	42%	0.423	49%	0.493	S	S	.	.	H	α-helix	trans	-59.6	-44	178.5	-53.8	0	0	0	0	112	S173 L174 A181	S173-T177 PolarHBondContact O-N 2.96Å; S173-T177 PolarHBondContact O-OG1 3.41Å; L174-T177 PolarHBondContact O-N 2.81Å; T177-A181 WeakPolarHBondContact O-CB 3.39Å; T177-A181 PolarHBondContact O-N 2.86Å
178	I	90.4	Very high	91.6	Very high	88 Å²	88	90.4 Å²	90.4	45%	0.451	47%	0.469	S	S	.	.	H	α-helix	trans	-63.1	-48.5	175.4	-67.7	167.9	0	0	0	109.8	L174 R175 A176 D180 A181 F182	L174-I178 HydrophobicContact CD1-CD1 4.13Å; L174-I178 HydrophobicContact CD1-CG1 4.27Å; L174-I178 HydrophobicContact CG-CD1 3.9Å; L174-I178 HydrophobicContact CG-CG1 4.46Å; L174-I178 VanDerWaalsContact O-CG1 3.31Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 2.82Å; R175-I178 PolarHBondContact O-N 2.83Å; A176-I178 VanDerWaalsContact C-N 3.35Å; A176-I178 PolarHBondContact O-N 3.35Å; I178-D180 VanDerWaalsContact C-N 3.34Å; I178-D180 PolarHBondContact O-N 3Å; I178-A181 PolarHBondContact O-N 3.26Å; I178-F182 HydrophobicContact CG2-CD2 3.88Å; I178-F182 HydrophobicContact CG2-CE2 3.95Å; I178-F182 WeakPolarHBondContact O-CD2 3.08Å; I178-F182 PolarHBondContact O-N 2.81Å
179	G	92.9	Very high	91.5	Very high	38 Å²	38	87.5 Å²	87.5	39%	0.392	46%	0.46	S	S	.	.	H	α-helix	trans	-56.2	-46.6	178	0	0	0	0	0	112.7	R175 A176 A181 F182 E183	R175-G179 PolarHBondContact O-N 2.84Å; A176-G179 PolarHBondContact O-N 3.28Å; A176-G179 VanDerWaalsContact O-N 3.15Å; G179-A181 VanDerWaalsContact C-N 3.34Å; G179-A181 PolarHBondContact O-N 3.15Å; G179-F182 PolarHBondContact O-N 3Å; G179-E183 WeakPolarHBondContact O-CB 3.39Å; G179-E183 PolarHBondContact O-N 2.99Å
180	D	90.8	Very high	91.5	Very high	102 Å²	102	90.2 Å²	90.2	55%	0.545	46%	0.46	S	S	.	.	H	α-helix	trans	-64	-38	178.9	-69.3	-20.6	0	0	0	112.3	A176 I178 R184	A176-D180 WeakPolarHBondContact O-CB 3.35Å; A176-D180 VanDerWaalsContact O-CG 3.27Å; A176-D180 PolarHBondContact O-N 2.87Å; I178-D180 VanDerWaalsContact C-N 3.34Å; I178-D180 PolarHBondContact O-N 3Å; D180-R184 VanDerWaalsContact O-CG 3.29Å; D180-R184 WeakPolarHBondContact O-CG 3.32Å; D180-R184 PolarHBondContact O-N 3.09Å
181	A	89.3	Confident	91.7	Very high	52 Å²	52	92.4 Å²	92.4	43%	0.43	46%	0.462	S	S	.	.	H	α-helix	trans	-64.1	-47	176.2	0	0	0	0	0	111.5	T177 I178 G179 R184 L185	T177-A181 WeakPolarHBondContact O-CB 3.39Å; T177-A181 PolarHBondContact O-N 2.86Å; I178-A181 PolarHBondContact O-N 3.26Å; G179-A181 VanDerWaalsContact C-N 3.34Å; G179-A181 PolarHBondContact O-N 3.15Å; A181-R184 PolarHBondContact O-N 3.15Å; A181-L185 PolarHBondContact O-N 2.84Å
182	F	91.6	Very high	91.6	Very high	120 Å²	120	94 Å²	94	53%	0.526	46%	0.459	S	S	.	.	H	α-helix	trans	-65.3	-41	176.4	-86.6	-93	0	0	0	112.2	I178 G179 R184 L185 H186	I178-F182 HydrophobicContact CG2-CD2 3.88Å; I178-F182 HydrophobicContact CG2-CE2 3.95Å; I178-F182 WeakPolarHBondContact O-CD2 3.08Å; I178-F182 PolarHBondContact O-N 2.81Å; G179-F182 PolarHBondContact O-N 3Å; F182-R184 VanDerWaalsContact C-N 3.29Å; F182-R184 PolarHBondContact O-N 3Å; F182-L185 PolarHBondContact O-N 3.12Å; F182-L185 VanDerWaalsContact O-N 3.14Å; F182-H186 PolarHBondContact O-CD2 3.05Å; F182-H186 PolarHBondContact O-N 3.06Å
183	E	93.2	Very high	91.6	Very high	75 Å²	75	92.3 Å²	92.3	35%	0.35	45%	0.453	S	S	.	.	H	α-helix	trans	-64.8	-34.5	-179.8	-175.5	53	-145.3	0	0	112.1	G179 H186 R187 R190	G179-E183 WeakPolarHBondContact O-CB 3.39Å; G179-E183 PolarHBondContact O-N 2.99Å; E183-H186 PolarHBondContact O-N 3.33Å; E183-R187 VanDerWaalsContact O-CB 3.3Å; E183-R187 WeakPolarHBondContact O-CB 3.37Å; E183-R187 PolarHBondContact O-N 3.44Å; E183-R190 IonicContact OE1-CZ 3.12Å; E183-R190 IonicContact OE1-NH2 2.73Å; E183-R190 PolarHBondContact OE1-NH2 2.83Å; E183-R190 IonicContact OE2-NH2 3.8Å
184	R	89.4	Confident	91.8	Very high	174 Å²	174	94.9 Å²	94.9	66%	0.657	46%	0.455	S	S	*	.	H	α-helix	trans	-60.2	-47.5	170.9	-75.3	170.9	-179.2	-117.4	1.6	111.7	D180 A181 F182 R187 F188	D180-R184 VanDerWaalsContact O-CG 3.29Å; D180-R184 WeakPolarHBondContact O-CG 3.32Å; D180-R184 PolarHBondContact O-N 3.09Å; A181-R184 PolarHBondContact O-N 3.15Å; F182-R184 VanDerWaalsContact C-N 3.29Å; F182-R184 PolarHBondContact O-N 3Å; R184-R187 PolarHBondContact O-N 3.35Å; R184-F188 PolarHBondContact O-N 3.34Å
185	L	90.7	Very high	91.9	Very high	62 Å²	62	92.5 Å²	92.5	33%	0.325	45%	0.447	S	S	.	.	H	α-helix	trans	-64	-43.3	178.1	-62.6	178.1	0	0	0	111.9	A181 F182 R187 F188 L189 L286 I290	A181-L185 PolarHBondContact O-N 2.84Å; F182-L185 PolarHBondContact O-N 3.12Å; F182-L185 VanDerWaalsContact O-N 3.14Å; L185-R187 VanDerWaalsContact C-N 3.35Å; L185-R187 PolarHBondContact O-N 3.26Å; L185-F188 WeakPolarHBondContact O-CB 3.34Å; L185-F188 PolarHBondContact O-N 2.85Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 3.39Å; L185-L286 HydrophobicContact CD2-CD1 3.5Å; L185-L286 VanDerWaalsContact CD2-CD1 3.5Å; L185-L286 HydrophobicContact CD2-CD2 4.13Å; L185-L286 HydrophobicContact CD2-CG 4.23Å; L185-I290 HydrophobicContact CD2-CG1 4.18Å
186	H	93	Very high	91.8	Very high	87 Å²	87	85.4 Å²	85.4	40%	0.403	42%	0.422	S	S	.	.	H	α-helix	trans	-62.7	-41.7	176.6	-72.3	-47	0	0	0	112.4	F182 E183 L189 R190	F182-H186 PolarHBondContact O-CD2 3.05Å; F182-H186 PolarHBondContact O-N 3.06Å; E183-H186 PolarHBondContact O-N 3.33Å; H186-L189 PolarHBondContact O-N 3.45Å; H186-R190 WeakPolarHBondContact O-CG 3.35Å; H186-R190 PolarHBondContact O-N 3.25Å
187	R	92.6	Very high	91.9	Very high	108 Å²	108	86.9 Å²	86.9	41%	0.408	42%	0.423	S	S	.	.	H	α-helix	trans	-60.5	-50.1	175.3	-173.7	-178.4	-51.3	115.7	9.4	111.1	E183 R184 L185 L189 R190 E191	E183-R187 VanDerWaalsContact O-CB 3.3Å; E183-R187 WeakPolarHBondContact O-CB 3.37Å; E183-R187 PolarHBondContact O-N 3.44Å; R184-R187 PolarHBondContact O-N 3.35Å; L185-R187 VanDerWaalsContact C-N 3.35Å; L185-R187 PolarHBondContact O-N 3.26Å; R187-L189 VanDerWaalsContact C-N 3.33Å; R187-L189 PolarHBondContact O-N 2.9Å; R187-R190 PolarHBondContact O-N 3.44Å; R187-E191 WeakPolarHBondContact CD-OE1 3.38Å; R187-E191 HydrophobicContact CG-CG 4.32Å; R187-E191 WeakPolarHBondContact CG-OE1 3.31Å; R187-E191 WeakPolarHBondContact O-CB 3.41Å; R187-E191 WeakPolarHBondContact O-CG 3.33Å; R187-E191 PolarHBondContact O-N 3.15Å
188	F	91.5	Very high	92.2	Very high	20 Å²	20	88.3 Å²	88.3	9%	0.088	43%	0.425	C	S	.	.	H	α-helix	trans	-52.7	-50.2	176.1	168.1	-96.6	0	0	0	112	R184 L185 R190 E191 R192 I282 S285 L286 D289	R184-F188 PolarHBondContact O-N 3.34Å; L185-F188 WeakPolarHBondContact O-CB 3.34Å; L185-F188 PolarHBondContact O-N 2.85Å; F188-R190 PolarHBondContact O-N 3.21Å; F188-E191 PolarHBondContact O-N 3.35Å; F188-R192 VanDerWaalsContact O-CB 3.27Å; F188-R192 WeakPolarHBondContact O-CB 3.46Å; F188-R192 PolarHBondContact O-N 2.94Å; F188-I282 HydrophobicContact CE1-CG2 3.9Å; F188-S285 WeakPolarHBondContact CZ-OG 3.28Å; F188-L286 HydrophobicContact CB-CD1 4.44Å; F188-L286 HydrophobicContact CD1-CB 4.39Å; F188-L286 HydrophobicContact CD1-CD1 3.33Å; F188-L286 HydrophobicContact CD1-CG 4.41Å; F188-L286 HydrophobicContact CD2-CD1 4.48Å; F188-L286 HydrophobicContact CE1-CB 3.71Å; F188-L286 HydrophobicContact CE1-CD1 3.56Å; F188-L286 HydrophobicContact CE1-CG 4.2Å; F188-L286 HydrophobicContact CG-CD1 3.83Å; F188-L286 HydrophobicContact CZ-CB 3.97Å; F188-L286 HydrophobicContact CZ-CD1 4.22Å; F188-D289 HydrophobicContact CD2-CB 4.25Å; F188-D289 WeakPolarHBondContact CD2-OD2 3.3Å; F188-D289 WeakPolarHBondContact CE2-OD2 3.3Å
189	L	92.2	Very high	92.3	Very high	79 Å²	79	87.6 Å²	87.6	41%	0.414	42%	0.419	S	S	.	.	H	α-helix	trans	-62	-42.3	-179.6	-69.6	174.2	0	0	0	112.2	L185 H186 R187 Q193 I282	L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 3.39Å; H186-L189 PolarHBondContact O-N 3.45Å; R187-L189 VanDerWaalsContact C-N 3.33Å; R187-L189 PolarHBondContact O-N 2.9Å; L189-Q193 VanDerWaalsContact O-CB 3.31Å; L189-Q193 WeakPolarHBondContact O-CB 3.33Å; L189-Q193 PolarHBondContact O-N 3.39Å; L189-I282 HydrophobicContact CD2-CG2 3.52Å
190	R	94.6	Very high	92.3	Very high	126 Å²	126	88.4 Å²	88.4	48%	0.475	41%	0.414	S	S	.	.	H	α-helix	trans	-65.2	-45.4	177.9	-74.3	-176.2	-63.1	-113.4	1	112	E183 H186 R187 F188 Q193 K194	E183-R190 IonicContact OE1-CZ 3.12Å; E183-R190 IonicContact OE1-NH2 2.73Å; E183-R190 PolarHBondContact OE1-NH2 2.83Å; E183-R190 IonicContact OE2-NH2 3.8Å; H186-R190 WeakPolarHBondContact O-CG 3.35Å; H186-R190 PolarHBondContact O-N 3.25Å; R187-R190 PolarHBondContact O-N 3.44Å; F188-R190 PolarHBondContact O-N 3.21Å; R190-Q193 PolarHBondContact O-N 2.89Å; R190-K194 WeakPolarHBondContact O-CB 3.4Å; R190-K194 PolarHBondContact O-N 3.2Å
191	E	92.7	Very high	92.5	Very high	119 Å²	119	89.9 Å²	89.9	56%	0.556	42%	0.418	S	S	*	.	H	α-helix	trans	-64.7	-43	178.6	-73.3	171.9	179.5	0	0	111.2	R187 F188 K194 S195	R187-E191 WeakPolarHBondContact CD-OE1 3.38Å; R187-E191 HydrophobicContact CG-CG 4.32Å; R187-E191 WeakPolarHBondContact CG-OE1 3.31Å; R187-E191 WeakPolarHBondContact O-CB 3.41Å; R187-E191 WeakPolarHBondContact O-CG 3.33Å; R187-E191 PolarHBondContact O-N 3.15Å; F188-E191 PolarHBondContact O-N 3.35Å; E191-K194 PolarHBondContact O-N 3.05Å; E191-S195 WeakPolarHBondContact O-CB 3.4Å; E191-S195 PolarHBondContact O-N 2.93Å
192	R	90.8	Very high	92.8	Very high	78 Å²	78	92.2 Å²	92.2	29%	0.294	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-45.5	176.9	-169.7	61.8	172.3	138	-0.1	111.8	F188 S195 M196 I282	F188-R192 VanDerWaalsContact O-CB 3.27Å; F188-R192 WeakPolarHBondContact O-CB 3.46Å; F188-R192 PolarHBondContact O-N 2.94Å; R192-S195 PolarHBondContact O-N 2.87Å; R192-M196 HydrophobicContact CG-SD 4.43Å; R192-M196 VanDerWaalsContact O-CG 3.28Å; R192-M196 WeakPolarHBondContact O-CG 3.39Å; R192-M196 PolarHBondContact O-N 3.3Å; R192-I282 HydrophobicContact CG-CG1 4.36Å
193	Q	92.4	Very high	92.9	Very high	123 Å²	123	87.3 Å²	87.3	58%	0.575	40%	0.4	S	S	*	.	H	α-helix	trans	-58.9	-48	175.4	-179.4	-177.3	2.1	0	0	111.3	L189 R190 M196 L197	L189-Q193 VanDerWaalsContact O-CB 3.31Å; L189-Q193 WeakPolarHBondContact O-CB 3.33Å; L189-Q193 PolarHBondContact O-N 3.39Å; R190-Q193 PolarHBondContact O-N 2.89Å; Q193-M196 PolarHBondContact O-N 3.35Å; Q193-L197 HydrophobicContact CG-CD1 4.18Å; Q193-L197 WeakPolarHBondContact O-CG 3.46Å; Q193-L197 PolarHBondContact O-N 2.75Å; Q193-L197 VanDerWaalsContact O-N 3.08Å
194	K	95.1	Very high	92.8	Very high	128 Å²	128	86.1 Å²	86.1	56%	0.557	40%	0.398	S	S	*	.	H	α-helix	trans	-57.9	-51.1	178.8	-179.8	179.9	169.9	-178	0	111.3	R190 E191 M196 L197 E198	R190-K194 WeakPolarHBondContact O-CB 3.4Å; R190-K194 PolarHBondContact O-N 3.2Å; E191-K194 PolarHBondContact O-N 3.05Å; K194-M196 VanDerWaalsContact C-N 3.31Å; K194-M196 PolarHBondContact O-N 3.15Å; K194-L197 PolarHBondContact O-N 3.36Å; K194-E198 WeakPolarHBondContact CE-OE1 3.26Å; K194-E198 HydrophobicContact CG-CG 4.45Å; K194-E198 IonicContact NZ-OE1 2.67Å; K194-E198 WeakPolarHBondContact O-CG 3.48Å; K194-E198 PolarHBondContact O-N 3.46Å
195	S	92.4	Very high	93.1	Very high	53 Å²	53	80.7 Å²	80.7	37%	0.371	39%	0.39	S	S	.	.	H	α-helix	trans	-58.7	-40.8	179.5	168.8	0	0	0	0	112.6	E191 R192 E199	E191-S195 WeakPolarHBondContact O-CB 3.4Å; E191-S195 PolarHBondContact O-N 2.93Å; R192-S195 PolarHBondContact O-N 2.87Å; S195-E199 WeakPolarHBondContact O-CB 3.29Å; S195-E199 PolarHBondContact O-N 3.12Å
196	M	91	Very high	93.3	Very high	39 Å²	39	84.3 Å²	84.3	19%	0.192	40%	0.4	C	S	.	.	H	α-helix	trans	-67.9	-36.7	178.6	-70.5	-173.8	67.3	0	0	112.9	R192 Q193 K194 L200 L278	R192-M196 HydrophobicContact CG-SD 4.43Å; R192-M196 VanDerWaalsContact O-CG 3.28Å; R192-M196 WeakPolarHBondContact O-CG 3.39Å; R192-M196 PolarHBondContact O-N 3.3Å; Q193-M196 PolarHBondContact O-N 3.35Å; K194-M196 VanDerWaalsContact C-N 3.31Å; K194-M196 PolarHBondContact O-N 3.15Å; M196-L200 WeakPolarHBondContact O-CB 3.39Å; M196-L200 PolarHBondContact O-N 2.89Å; M196-L200 VanDerWaalsContact O-N 3.12Å; M196-L278 HydrophobicContact CE-CD1 3.21Å; M196-L278 HydrophobicContact SD-CD1 3.67Å
197	L	93.4	Very high	93.2	Very high	85 Å²	85	81.8 Å²	81.8	45%	0.445	39%	0.388	S	S	.	.	H	α-helix	trans	-69.8	-42.9	176	-69.9	174.1	0	0	0	111.5	Q193 K194 E199 L200 E201	Q193-L197 HydrophobicContact CG-CD1 4.18Å; Q193-L197 WeakPolarHBondContact O-CG 3.46Å; Q193-L197 PolarHBondContact O-N 2.75Å; Q193-L197 VanDerWaalsContact O-N 3.08Å; K194-L197 PolarHBondContact O-N 3.36Å; L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 2.84Å; L197-L200 PolarHBondContact O-N 3.29Å; L197-E201 WeakPolarHBondContact O-CG 3.18Å; L197-E201 PolarHBondContact O-N 2.9Å
198	E	95.7	Very high	93.3	Very high	99 Å²	99	81.1 Å²	81.1	46%	0.463	39%	0.392	S	S	.	.	H	α-helix	trans	-60.8	-39.8	175.9	-72.2	173.8	162.2	0	0	111.7	K194 E201 M202	K194-E198 WeakPolarHBondContact CE-OE1 3.26Å; K194-E198 HydrophobicContact CG-CG 4.45Å; K194-E198 IonicContact NZ-OE1 2.67Å; K194-E198 WeakPolarHBondContact O-CG 3.48Å; K194-E198 PolarHBondContact O-N 3.46Å; E198-E201 PolarHBondContact O-N 3.29Å; E198-M202 WeakPolarHBondContact O-CB 3.35Å; E198-M202 PolarHBondContact O-N 2.89Å
199	E	93.3	Very high	93.5	Very high	72 Å²	72	82.6 Å²	82.6	34%	0.336	41%	0.408	S	S	.	.	H	α-helix	trans	-64.8	-42.3	175.5	-168.1	178.9	-177.4	0	0	112	S195 L197 M202 D203 K273	S195-E199 WeakPolarHBondContact O-CB 3.29Å; S195-E199 PolarHBondContact O-N 3.12Å; L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 2.84Å; E199-M202 HydrophobicContact CG-CE 4.47Å; E199-M202 PolarHBondContact O-N 2.71Å; E199-D203 PolarHBondContact O-N 2.84Å; E199-K273 WeakPolarHBondContact OE1-CE 3.43Å; E199-K273 IonicContact OE1-NZ 3.13Å; E199-K273 PolarHBondContact OE1-NZ 2.92Å
200	L	93.5	Very high	93.5	Very high	56 Å²	56	81.1 Å²	81.1	29%	0.293	40%	0.4	S	S	.	.	H	α-helix	trans	-64.2	-43.8	176.3	177.6	65.5	0	0	0	112	M196 L197 M202 D203 T204 F269 Y274	M196-L200 WeakPolarHBondContact O-CB 3.39Å; M196-L200 PolarHBondContact O-N 2.89Å; M196-L200 VanDerWaalsContact O-N 3.12Å; L197-L200 PolarHBondContact O-N 3.29Å; L200-M202 VanDerWaalsContact C-N 3.35Å; L200-D203 PolarHBondContact O-N 3.39Å; L200-T204 VanDerWaalsContact O-CB 3.3Å; L200-T204 WeakPolarHBondContact O-CB 3.37Å; L200-T204 PolarHBondContact O-N 3.03Å; L200-T204 PolarHBondContact O-OG1 3.47Å; L200-F269 HydrophobicContact CD1-CE1 3.84Å; L200-F269 HydrophobicContact CD1-CZ 3.78Å; L200-Y274 HydrophobicContact CB-CE1 4.08Å; L200-Y274 HydrophobicContact CD1-CD1 4.49Å; L200-Y274 HydrophobicContact CD1-CD2 3.76Å; L200-Y274 HydrophobicContact CD1-CE1 4.33Å; L200-Y274 HydrophobicContact CD1-CE2 3.57Å; L200-Y274 HydrophobicContact CD1-CG 4.23Å
201	E	95	Very high	93.5	Very high	133 Å²	133	78.8 Å²	78.8	62%	0.621	40%	0.396	S	S	*	.	H	α-helix	trans	-61	-44.2	176.7	-75.5	176	-178.7	0	0	111	L197 E198 T204 A205	L197-E201 WeakPolarHBondContact O-CG 3.18Å; L197-E201 PolarHBondContact O-N 2.9Å; E198-E201 PolarHBondContact O-N 3.29Å; E201-T204 PolarHBondContact O-N 2.82Å; E201-A205 WeakPolarHBondContact O-CB 3.38Å; E201-A205 PolarHBondContact O-N 3Å
202	M	94.4	Very high	93.6	Very high	101 Å²	101	78.7 Å²	78.7	50%	0.498	40%	0.396	S	S	.	.	H	α-helix	trans	-62.9	-45.8	176.7	-178.2	-173.5	54.3	0	0	112.2	E198 E199 L200 T204 A205 R206	E198-M202 WeakPolarHBondContact O-CB 3.35Å; E198-M202 PolarHBondContact O-N 2.89Å; E199-M202 HydrophobicContact CG-CE 4.47Å; E199-M202 PolarHBondContact O-N 2.71Å; L200-M202 VanDerWaalsContact C-N 3.35Å; M202-T204 VanDerWaalsContact C-N 3.33Å; M202-A205 PolarHBondContact O-N 3.07Å; M202-R206 WeakPolarHBondContact O-CB 3.16Å; M202-R206 PolarHBondContact O-N 2.89Å; M202-R206 PolarHBondContact SD-NH2 3.18Å; M202-R206 VanDerWaalsContact SD-NH2 3.42Å
203	D	93.1	Very high	93.7	Very high	16 Å²	16	81.3 Å²	81.3	9%	0.086	41%	0.411	C	S	.	.	H	α-helix	trans	-64.4	-39.8	177.9	-77.4	-11.6	0	0	0	111.5	E199 L200 R206 K207 F269 K273 Y274	E199-D203 PolarHBondContact O-N 2.84Å; L200-D203 PolarHBondContact O-N 3.39Å; D203-R206 PolarHBondContact O-N 3.34Å; D203-R206 IonicContact OD1-CZ 2.66Å; D203-R206 IonicContact OD1-NH1 2.8Å; D203-R206 PolarHBondContact OD1-NH1 2.84Å; D203-R206 IonicContact OD1-NH2 3.18Å; D203-K207 PolarHBondContact O-N 2.84Å; D203-F269 HydrophobicContact CB-CE2 4.27Å; D203-F269 HydrophobicContact CB-CZ 4.24Å; D203-K273 IonicContact OD2-NZ 3.7Å; D203-K273 PolarHBondContact OD2-NZ 2.97Å; D203-Y274 PolarHBondContact OD2-OH 2.92Å
204	T	92.8	Very high	93.8	Very high	51 Å²	51	78.3 Å²	78.3	31%	0.313	40%	0.396	S	S	.	.	H	α-helix	trans	-62.1	-51.1	175.6	-56.8	0	0	0	0	110.7	L200 E201 M202 R206 K207 L208	L200-T204 VanDerWaalsContact O-CB 3.3Å; L200-T204 WeakPolarHBondContact O-CB 3.37Å; L200-T204 PolarHBondContact O-N 3.03Å; L200-T204 PolarHBondContact O-OG1 3.47Å; E201-T204 PolarHBondContact O-N 2.82Å; M202-T204 VanDerWaalsContact C-N 3.33Å; T204-R206 VanDerWaalsContact C-N 3.33Å; T204-R206 PolarHBondContact O-N 2.81Å; T204-K207 PolarHBondContact O-N 2.82Å; T204-L208 HydrophobicContact CG2-CD1 3.9Å; T204-L208 HydrophobicContact CG2-CG 4.31Å; T204-L208 WeakPolarHBondContact O-CB 2.88Å; T204-L208 WeakPolarHBondContact O-CG 3.45Å; T204-L208 PolarHBondContact O-N 2.79Å
205	A	95.8	Very high	93.7	Very high	59 Å²	59	77 Å²	77	49%	0.488	40%	0.395	S	S	.	.	H	α-helix	trans	-59.5	-42.8	179	0	0	0	0	0	112	E201 M202 K207 L208 A209	E201-A205 WeakPolarHBondContact O-CB 3.38Å; E201-A205 PolarHBondContact O-N 3Å; M202-A205 PolarHBondContact O-N 3.07Å; A205-K207 PolarHBondContact O-N 2.99Å; A205-L208 PolarHBondContact O-N 2.91Å; A205-A209 WeakPolarHBondContact O-CB 3.33Å; A205-A209 PolarHBondContact O-N 2.88Å
206	R	93.7	Very high	93.9	Very high	139 Å²	139	81 Å²	81	53%	0.525	41%	0.407	S	S	.	.	H	α-helix	trans	-61.3	-44.6	177	-167.6	-173.8	-55.9	111.4	3.6	111.7	M202 D203 T204 D210	M202-R206 WeakPolarHBondContact O-CB 3.16Å; M202-R206 PolarHBondContact O-N 2.89Å; M202-R206 PolarHBondContact SD-NH2 3.18Å; M202-R206 VanDerWaalsContact SD-NH2 3.42Å; D203-R206 PolarHBondContact O-N 3.34Å; D203-R206 IonicContact OD1-CZ 2.66Å; D203-R206 IonicContact OD1-NH1 2.8Å; D203-R206 PolarHBondContact OD1-NH1 2.84Å; D203-R206 IonicContact OD1-NH2 3.18Å; T204-R206 VanDerWaalsContact C-N 3.33Å; T204-R206 PolarHBondContact O-N 2.81Å; R206-D210 PolarHBondContact O-N 2.8Å; R206-D210 VanDerWaalsContact O-N 3.13Å
207	K	91.8	Very high	94	Very high	34 Å²	34	82.2 Å²	82.2	15%	0.148	42%	0.419	C	S	.	.	H	α-helix	trans	-71.5	-39.4	-178.5	-166	64	179.5	167.8	0	112.2	D203 T204 A205 D210 I211 E267 F269	D203-K207 PolarHBondContact O-N 2.84Å; T204-K207 PolarHBondContact O-N 2.82Å; A205-K207 PolarHBondContact O-N 2.99Å; K207-D210 IonicContact NZ-OD2 2.78Å; K207-D210 PolarHBondContact NZ-OD2 3.06Å; K207-D210 PolarHBondContact O-N 2.78Å; K207-I211 HydrophobicContact CG-CD1 4.15Å; K207-I211 VanDerWaalsContact O-CG1 3.31Å; K207-I211 WeakPolarHBondContact O-CG1 3.48Å; K207-I211 PolarHBondContact O-N 2.9Å; K207-E267 WeakPolarHBondContact CE-O 3.44Å; K207-E267 VanDerWaalsContact NZ-CB 3.32Å; K207-E267 IonicContact NZ-OE2 3.28Å; K207-E267 PolarHBondContact NZ-OE2 2.92Å; K207-F269 HydrophobicContact CB-CD2 4.17Å; K207-F269 HydrophobicContact CB-CE2 4.48Å; K207-F269 HydrophobicContact CG-CD2 4.3Å
208	L	94.3	Very high	94.1	Very high	93 Å²	93	81.4 Å²	81.4	49%	0.487	41%	0.411	S	S	.	.	H	α-helix	trans	-60.9	-45.5	174.1	-71.5	176.1	0	0	0	111.2	T204 A205 D210 I211 E212	T204-L208 HydrophobicContact CG2-CD1 3.9Å; T204-L208 HydrophobicContact CG2-CG 4.31Å; T204-L208 WeakPolarHBondContact O-CB 2.88Å; T204-L208 WeakPolarHBondContact O-CG 3.45Å; T204-L208 PolarHBondContact O-N 2.79Å; A205-L208 PolarHBondContact O-N 2.91Å; L208-D210 PolarHBondContact O-N 3Å; L208-I211 PolarHBondContact O-N 2.92Å; L208-E212 WeakPolarHBondContact O-CB 3.46Å; L208-E212 WeakPolarHBondContact O-CG 3.37Å; L208-E212 PolarHBondContact O-N 2.91Å
209	A	95.3	Very high	94.1	Very high	52 Å²	52	79 Å²	79	43%	0.43	41%	0.405	S	S	.	.	H	α-helix	trans	-61	-41.8	177.4	0	0	0	0	0	112.8	A205 E212 Q213	A205-A209 WeakPolarHBondContact O-CB 3.33Å; A205-A209 PolarHBondContact O-N 2.88Å; A209-E212 PolarHBondContact O-N 2.89Å; A209-Q213 WeakPolarHBondContact O-CB 3.38Å; A209-Q213 PolarHBondContact O-N 2.87Å
210	D	93.3	Very high	94.1	Very high	48 Å²	48	79.4 Å²	79.4	26%	0.257	41%	0.407	S	S	.	.	H	α-helix	trans	-60.8	-45.2	174.1	172.8	59.9	0	0	0	111.8	R206 K207 L208 Q213 K214	R206-D210 PolarHBondContact O-N 2.8Å; R206-D210 VanDerWaalsContact O-N 3.13Å; K207-D210 IonicContact NZ-OD2 2.78Å; K207-D210 PolarHBondContact NZ-OD2 3.06Å; K207-D210 PolarHBondContact O-N 2.78Å; L208-D210 PolarHBondContact O-N 3Å; D210-Q213 PolarHBondContact O-N 3.46Å; D210-K214 WeakPolarHBondContact O-CB 3.43Å; D210-K214 WeakPolarHBondContact O-CG 3.27Å; D210-K214 PolarHBondContact O-N 2.84Å; D210-K214 WeakPolarHBondContact OD1-CE 3.47Å; D210-K214 IonicContact OD1-NZ 3.2Å; D210-K214 PolarHBondContact OD1-NZ 2.81Å; D210-K214 WeakPolarHBondContact OD2-CE 3.4Å; D210-K214 IonicContact OD2-NZ 2.63Å; D210-K214 PolarHBondContact OD2-NZ 2.73Å
211	I	92.7	Very high	94.2	Very high	76 Å²	76	79 Å²	79	39%	0.39	40%	0.403	S	S	.	.	H	α-helix	trans	-64.5	-45.7	177.7	-68.3	167.7	0	0	0	110.9	K207 L208 Q213 K214 I215	K207-I211 HydrophobicContact CG-CD1 4.15Å; K207-I211 VanDerWaalsContact O-CG1 3.31Å; K207-I211 WeakPolarHBondContact O-CG1 3.48Å; K207-I211 PolarHBondContact O-N 2.9Å; L208-I211 PolarHBondContact O-N 2.92Å; I211-Q213 VanDerWaalsContact C-N 3.34Å; I211-Q213 PolarHBondContact O-N 2.9Å; I211-K214 PolarHBondContact O-N 3.3Å; I211-I215 HydrophobicContact CG2-CD1 3.83Å; I211-I215 HydrophobicContact CG2-CG1 4.38Å; I211-I215 VanDerWaalsContact O-CG1 3.31Å; I211-I215 WeakPolarHBondContact O-CG1 3.23Å; I211-I215 PolarHBondContact O-N 3.33Å
212	E	95.3	Very high	94.2	Very high	117 Å²	117	77.1 Å²	77.1	55%	0.547	40%	0.397	S	S	.	.	H	α-helix	trans	-60	-43.5	177.3	-75.5	176.6	177.8	0	0	111.6	L208 A209 I215 Q216	L208-E212 WeakPolarHBondContact O-CB 3.46Å; L208-E212 WeakPolarHBondContact O-CG 3.37Å; L208-E212 PolarHBondContact O-N 2.91Å; A209-E212 PolarHBondContact O-N 2.89Å; E212-I215 PolarHBondContact O-N 3.44Å; E212-Q216 WeakPolarHBondContact O-CG 3.25Å; E212-Q216 PolarHBondContact O-N 3.43Å
213	Q	94.2	Very high	94.3	Very high	133 Å²	133	78.8 Å²	78.8	62%	0.621	40%	0.398	S	S	*	.	H	α-helix	trans	-62.8	-43.6	176.4	-173.6	-179.8	4.4	0	0	111.8	A209 D210 I211 Q216 C217	A209-Q213 WeakPolarHBondContact O-CB 3.38Å; A209-Q213 PolarHBondContact O-N 2.87Å; D210-Q213 PolarHBondContact O-N 3.46Å; I211-Q213 VanDerWaalsContact C-N 3.34Å; I211-Q213 PolarHBondContact O-N 2.9Å; Q213-Q216 PolarHBondContact O-N 3.22Å; Q213-C217 WeakPolarHBondContact O-CB 3.32Å; Q213-C217 PolarHBondContact O-N 3.48Å
214	K	93.1	Very high	94.4	Very high	60 Å²	60	79.8 Å²	79.8	26%	0.261	40%	0.403	S	S	.	.	H	α-helix	trans	-61.5	-44.8	175.2	-75.4	168.8	178	165.4	0	111.3	D210 I211 Q216 C217 Y218	D210-K214 WeakPolarHBondContact O-CB 3.43Å; D210-K214 WeakPolarHBondContact O-CG 3.27Å; D210-K214 PolarHBondContact O-N 2.84Å; D210-K214 WeakPolarHBondContact OD1-CE 3.47Å; D210-K214 IonicContact OD1-NZ 3.2Å; D210-K214 PolarHBondContact OD1-NZ 2.81Å; D210-K214 WeakPolarHBondContact OD2-CE 3.4Å; D210-K214 IonicContact OD2-NZ 2.63Å; D210-K214 PolarHBondContact OD2-NZ 2.73Å; I211-K214 PolarHBondContact O-N 3.3Å; K214-Q216 VanDerWaalsContact C-N 3.34Å; K214-Q216 PolarHBondContact O-N 3.07Å; K214-C217 PolarHBondContact O-N 3.03Å; K214-Y218 VanDerWaalsContact O-CD2 3.3Å; K214-Y218 WeakPolarHBondContact O-CD2 3.4Å; K214-Y218 PolarHBondContact O-N 3.18Å
215	I	94.5	Very high	94.5	Very high	101 Å²	101	79.7 Å²	79.7	52%	0.518	40%	0.403	S	S	.	.	H	α-helix	trans	-58.9	-45.3	175.8	-71.8	169.8	0	0	0	110.7	I211 E212 S219	I211-I215 HydrophobicContact CG2-CD1 3.83Å; I211-I215 HydrophobicContact CG2-CG1 4.38Å; I211-I215 VanDerWaalsContact O-CG1 3.31Å; I211-I215 WeakPolarHBondContact O-CG1 3.23Å; I211-I215 PolarHBondContact O-N 3.33Å; E212-I215 PolarHBondContact O-N 3.44Å; I215-S219 WeakPolarHBondContact O-CB 3.37Å; I215-S219 PolarHBondContact O-N 2.81Å; I215-S219 PolarHBondContact O-OG 2.86Å
216	Q	95.6	Very high	94.5	Very high	136 Å²	136	83.1 Å²	83.1	64%	0.636	41%	0.406	S	S	*	.	H	α-helix	trans	-62.1	-45.8	178.1	-73.2	177.2	8.6	0	0	111.9	E212 Q213 K214 S219 Q220	E212-Q216 WeakPolarHBondContact O-CG 3.25Å; E212-Q216 PolarHBondContact O-N 3.43Å; Q213-Q216 PolarHBondContact O-N 3.22Å; K214-Q216 VanDerWaalsContact C-N 3.34Å; K214-Q216 PolarHBondContact O-N 3.07Å; Q216-S219 PolarHBondContact O-N 3.19Å; Q216-Q220 PolarHBondContact O-N 2.99Å; Q216-Q220 VanDerWaalsContact O-N 3.09Å
217	C	93.8	Very high	94.7	Very high	66 Å²	66	80.4 Å²	80.4	45%	0.446	40%	0.4	S	S	.	.	H	α-helix	trans	-60.6	-52.9	178.4	-175.5	0	0	0	0	111.6	Q213 K214 S219 Q220 Q221	Q213-C217 WeakPolarHBondContact O-CB 3.32Å; Q213-C217 PolarHBondContact O-N 3.48Å; K214-C217 PolarHBondContact O-N 3.03Å; C217-S219 VanDerWaalsContact C-N 3.29Å; C217-S219 PolarHBondContact O-N 3Å; C217-Q220 PolarHBondContact O-N 3.41Å; C217-Q220 VanDerWaalsContact O-N 3.15Å; C217-Q221 WeakPolarHBondContact O-CG 3.31Å; C217-Q221 PolarHBondContact O-N 2.83Å
218	Y	94.3	Very high	94.9	Very high	67 Å²	67	79 Å²	79	26%	0.263	40%	0.395	S	S	.	.	H	α-helix	trans	-66	-31.4	179.3	-80.9	-66.5	0	0	0	112.8	K214 Q220 Q221 L222 T262 N263 L264	K214-Y218 VanDerWaalsContact O-CD2 3.3Å; K214-Y218 WeakPolarHBondContact O-CD2 3.4Å; K214-Y218 PolarHBondContact O-N 3.18Å; Y218-Q220 VanDerWaalsContact C-N 3.34Å; Y218-Q221 VanDerWaalsContact CD1-OE1 3.31Å; Y218-L222 WeakPolarHBondContact O-CB 3.3Å; Y218-L222 PolarHBondContact O-N 3.44Å; Y218-T262 HydrophobicContact CE1-CG2 4.14Å; Y218-N263 VanDerWaalsContact OH-C 3.29Å; Y218-N263 PolarHBondContact OH-O 2.93Å; Y218-L264 HydrophobicContact CD2-CD1 4.43Å; Y218-L264 HydrophobicContact CE2-CB 4.32Å; Y218-L264 HydrophobicContact CE2-CD1 3.73Å; Y218-L264 PolarHBondContact OH-N 2.9Å
219	S	95.6	Very high	94.9	Very high	50 Å²	50	78.4 Å²	78.4	35%	0.35	39%	0.392	S	S	.	.	H	α-helix	trans	-64.9	-38	174	-64.3	0	0	0	0	112	I215 Q216 C217 R223	I215-S219 WeakPolarHBondContact O-CB 3.37Å; I215-S219 PolarHBondContact O-N 2.81Å; I215-S219 PolarHBondContact O-OG 2.86Å; Q216-S219 PolarHBondContact O-N 3.19Å; C217-S219 VanDerWaalsContact C-N 3.29Å; C217-S219 PolarHBondContact O-N 3Å; S219-R223 WeakPolarHBondContact O-CG 3.5Å; S219-R223 PolarHBondContact O-N 3.19Å; S219-R223 PolarHBondContact O-NH1 2.72Å
220	Q	94.8	Very high	95	Very high	80 Å²	80	80.9 Å²	80.9	37%	0.374	39%	0.394	S	S	.	.	H	α-helix	trans	-69.5	-49.3	174.6	179.3	58	50.8	0	0	111.2	Q216 C217 Y218 L222 R223 D224	Q216-Q220 PolarHBondContact O-N 2.99Å; Q216-Q220 VanDerWaalsContact O-N 3.09Å; C217-Q220 PolarHBondContact O-N 3.41Å; C217-Q220 VanDerWaalsContact O-N 3.15Å; Y218-Q220 VanDerWaalsContact C-N 3.34Å; Q220-L222 PolarHBondContact O-N 3.29Å; Q220-R223 WeakPolarHBondContact O-CA 3.24Å; Q220-R223 WeakPolarHBondContact O-CB 3.44Å; Q220-R223 PolarHBondContact O-N 2.95Å; Q220-D224 VanDerWaalsContact NE2-CG 3.34Å; Q220-D224 PolarHBondContact NE2-OD1 2.95Å; Q220-D224 PolarHBondContact NE2-OD2 2.66Å; Q220-D224 PolarHBondContact O-N 2.89Å
221	Q	94.5	Very high	95	Very high	46 Å²	46	78.9 Å²	78.9	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-56.8	-40.1	176.6	-68	178.6	-13.4	0	0	111.9	C217 Y218 R223 D224 V225 H260	C217-Q221 WeakPolarHBondContact O-CG 3.31Å; C217-Q221 PolarHBondContact O-N 2.83Å; Y218-Q221 VanDerWaalsContact CD1-OE1 3.31Å; Q221-R223 VanDerWaalsContact C-N 3.33Å; Q221-R223 PolarHBondContact O-N 3.12Å; Q221-D224 PolarHBondContact O-N 2.57Å; Q221-V225 WeakPolarHBondContact O-CB 3.26Å; Q221-V225 VanDerWaalsContact O-CG2 3.28Å; Q221-V225 WeakPolarHBondContact O-CG2 3.38Å; Q221-V225 PolarHBondContact O-N 3.2Å; Q221-H260 HydrophobicContact CB-CB 4.36Å; Q221-H260 HydrophobicContact CG-CB 4.42Å
222	L	95.4	Very high	95.1	Very high	94 Å²	94	79 Å²	79	49%	0.492	38%	0.384	S	S	.	.	H	α-helix	trans	-63.6	-37.4	175.9	-177.7	63.3	0	0	0	112.2	Y218 Q220 K226	Y218-L222 WeakPolarHBondContact O-CB 3.3Å; Y218-L222 PolarHBondContact O-N 3.44Å; Q220-L222 PolarHBondContact O-N 3.29Å; L222-K226 HydrophobicContact CD1-CG 4.45Å; L222-K226 HydrophobicContact CG-CD 4.32Å; L222-K226 WeakPolarHBondContact O-CB 3.46Å; L222-K226 VanDerWaalsContact O-CG 3.24Å; L222-K226 WeakPolarHBondContact O-CG 3.46Å; L222-K226 PolarHBondContact O-N 3.42Å
223	R	95.7	Very high	95.1	Very high	137 Å²	137	79.3 Å²	79.3	52%	0.517	39%	0.386	S	S	.	.	H	α-helix	trans	-63.5	-46.8	173.2	-74	-172.6	-67.2	-90.7	10.8	110.8	S219 Q220 Q221 V225 K226 E227	S219-R223 WeakPolarHBondContact O-CG 3.5Å; S219-R223 PolarHBondContact O-N 3.19Å; S219-R223 PolarHBondContact O-NH1 2.72Å; Q220-R223 WeakPolarHBondContact O-CA 3.24Å; Q220-R223 WeakPolarHBondContact O-CB 3.44Å; Q220-R223 PolarHBondContact O-N 2.95Å; Q221-R223 VanDerWaalsContact C-N 3.33Å; Q221-R223 PolarHBondContact O-N 3.12Å; R223-V225 PolarHBondContact O-N 3.04Å; R223-K226 PolarHBondContact O-N 2.86Å; R223-E227 WeakPolarHBondContact O-CB 3.47Å; R223-E227 PolarHBondContact O-N 2.85Å
224	D	95.3	Very high	95	Very high	37 Å²	37	77.3 Å²	77.3	20%	0.198	38%	0.376	C	S	.	.	H	α-helix	trans	-62.7	-44.5	-179.2	-63.4	-38.2	0	0	0	111.6	Q220 Q221 E227 G228 K258	Q220-D224 VanDerWaalsContact NE2-CG 3.34Å; Q220-D224 PolarHBondContact NE2-OD1 2.95Å; Q220-D224 PolarHBondContact NE2-OD2 2.66Å; Q220-D224 PolarHBondContact O-N 2.89Å; Q221-D224 PolarHBondContact O-N 2.57Å; D224-E227 PolarHBondContact O-N 2.82Å; D224-G228 PolarHBondContact O-N 3.12Å; D224-K258 HydrophobicContact CB-CG 4.46Å; D224-K258 WeakPolarHBondContact O-CD 3.24Å
225	V	95.9	Very high	95	Very high	49 Å²	49	76.2 Å²	76.2	30%	0.297	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-45.6	175.3	171.6	0	0	0	0	111	Q221 R223 E227 G228 I229 K258 H260	Q221-V225 WeakPolarHBondContact O-CB 3.26Å; Q221-V225 VanDerWaalsContact O-CG2 3.28Å; Q221-V225 WeakPolarHBondContact O-CG2 3.38Å; Q221-V225 PolarHBondContact O-N 3.2Å; R223-V225 PolarHBondContact O-N 3.04Å; V225-E227 PolarHBondContact O-N 3.02Å; V225-G228 PolarHBondContact O-N 2.89Å; V225-I229 HydrophobicContact CG1-CD1 3.98Å; V225-I229 WeakPolarHBondContact O-CG1 3.29Å; V225-I229 PolarHBondContact O-N 3Å; V225-K258 WeakPolarHBondContact CG2-O 3.48Å; V225-H260 HydrophobicContact CG2-CB 4.45Å
226	K	96.4	Very high	94.9	Very high	130 Å²	130	77.8 Å²	77.8	57%	0.565	38%	0.38	S	S	*	.	H	α-helix	trans	-61.1	-42.7	177.7	-79.3	178.4	177.8	-176.9	0	112.2	L222 R223 I229 Q230	L222-K226 HydrophobicContact CD1-CG 4.45Å; L222-K226 HydrophobicContact CG-CD 4.32Å; L222-K226 WeakPolarHBondContact O-CB 3.46Å; L222-K226 VanDerWaalsContact O-CG 3.24Å; L222-K226 WeakPolarHBondContact O-CG 3.46Å; L222-K226 PolarHBondContact O-N 3.42Å; R223-K226 PolarHBondContact O-N 2.86Å; K226-I229 PolarHBondContact O-N 2.89Å; K226-Q230 PolarHBondContact O-N 3.37Å
227	E	96.1	Very high	94.8	Very high	82 Å²	82	75.6 Å²	75.6	38%	0.383	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-42.1	175.6	-167.3	-167	152.1	0	0	111.3	R223 D224 V225 I229 Q230 I231 K258	R223-E227 WeakPolarHBondContact O-CB 3.47Å; R223-E227 PolarHBondContact O-N 2.85Å; D224-E227 PolarHBondContact O-N 2.82Å; V225-E227 PolarHBondContact O-N 3.02Å; E227-I229 VanDerWaalsContact C-N 3.34Å; E227-I229 PolarHBondContact O-N 3.41Å; E227-Q230 WeakPolarHBondContact O-CB 3.43Å; E227-Q230 PolarHBondContact O-N 3.32Å; E227-I231 HydrophobicContact CG-CD1 4.1Å; E227-I231 WeakPolarHBondContact O-CD1 3Å; E227-I231 VanDerWaalsContact O-CG1 3.28Å; E227-I231 WeakPolarHBondContact O-CG1 3.38Å; E227-I231 PolarHBondContact O-N 2.86Å; E227-K258 IonicContact OE1-NZ 3.73Å; E227-K258 PolarHBondContact OE1-NZ 2.91Å; E227-K258 IonicContact OE2-NZ 3.15Å; E227-K258 PolarHBondContact OE2-NZ 3.25Å
228	G	95.9	Very high	94.6	Very high	5 Å²	5	76.1 Å²	76.1	5%	0.052	38%	0.375	C	S	.	.	H	α-helix	trans	-60.1	-42.2	175.3	0	0	0	0	0	112.7	D224 V225 I231 L232	D224-G228 PolarHBondContact O-N 3.12Å; V225-G228 PolarHBondContact O-N 2.89Å; G228-I231 PolarHBondContact O-N 2.85Å; G228-L232 WeakPolarHBondContact O-CG 3.3Å; G228-L232 PolarHBondContact O-N 3.28Å; G228-L232 VanDerWaalsContact O-N 3.11Å
229	I	95.6	Very high	94.4	Very high	81 Å²	81	79.8 Å²	79.8	42%	0.415	41%	0.405	S	S	.	.	H	α-helix	trans	-59.5	-47.5	173.4	-70.2	166.1	0	0	0	110.4	V225 K226 E227 I231 L232 Q233	V225-I229 HydrophobicContact CG1-CD1 3.98Å; V225-I229 WeakPolarHBondContact O-CG1 3.29Å; V225-I229 PolarHBondContact O-N 3Å; K226-I229 PolarHBondContact O-N 2.89Å; E227-I229 VanDerWaalsContact C-N 3.34Å; E227-I229 PolarHBondContact O-N 3.41Å; I229-I231 PolarHBondContact O-N 2.87Å; I229-L232 PolarHBondContact O-N 3.13Å; I229-Q233 HydrophobicContact CG2-CG 4.21Å; I229-Q233 WeakPolarHBondContact O-CB 3.33Å; I229-Q233 VanDerWaalsContact O-CG 3.28Å; I229-Q233 WeakPolarHBondContact O-CG 3.35Å; I229-Q233 PolarHBondContact O-N 3.25Å
230	Q	96.2	Very high	94.1	Very high	104 Å²	104	78.8 Å²	78.8	49%	0.486	40%	0.402	S	S	.	.	H	α-helix	trans	-60.5	-46.7	-180	-177.5	-179.5	-10.8	0	0	111.8	K226 E227 L232 Q233 E234	K226-Q230 PolarHBondContact O-N 3.37Å; E227-Q230 WeakPolarHBondContact O-CB 3.43Å; E227-Q230 PolarHBondContact O-N 3.32Å; Q230-L232 VanDerWaalsContact C-N 3.3Å; Q230-L232 PolarHBondContact O-N 2.71Å; Q230-Q233 PolarHBondContact O-N 3.04Å; Q230-E234 HydrophobicContact CG-CG 4.44Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.35Å; Q230-E234 PolarHBondContact NE2-OE1 3.29Å; Q230-E234 WeakPolarHBondContact O-CG 3.36Å; Q230-E234 PolarHBondContact O-N 2.89Å
231	I	95	Very high	93.9	Very high	5 Å²	5	85.6 Å²	85.6	3%	0.026	42%	0.424	C	S	.	.	H	α-helix	trans	-58.2	-43.7	178.6	-68.5	161.3	0	0	0	111.3	E227 G228 I229 R235 T251 R254 V255 K258	E227-I231 HydrophobicContact CG-CD1 4.1Å; E227-I231 WeakPolarHBondContact O-CD1 3Å; E227-I231 VanDerWaalsContact O-CG1 3.28Å; E227-I231 WeakPolarHBondContact O-CG1 3.38Å; E227-I231 PolarHBondContact O-N 2.86Å; G228-I231 PolarHBondContact O-N 2.85Å; I229-I231 PolarHBondContact O-N 2.87Å; I231-R235 PolarHBondContact O-N 3.48Å; I231-R235 VanDerWaalsContact O-N 3.17Å; I231-T251 HydrophobicContact CG2-CG2 3.97Å; I231-R254 HydrophobicContact CD1-CB 4.11Å; I231-R254 HydrophobicContact CG2-CB 4.35Å; I231-V255 HydrophobicContact CB-CG2 4.3Å; I231-V255 HydrophobicContact CG2-CG2 3.85Å; I231-K258 HydrophobicContact CD1-CD 4.33Å
232	L	94.3	Very high	93.8	Very high	78 Å²	78	89.9 Å²	89.9	41%	0.408	44%	0.444	S	S	.	.	H	α-helix	trans	-68.7	-39.8	177.9	-71.3	174.3	0	0	0	111.7	G228 I229 Q230 R235 L236 T251 V255	G228-L232 WeakPolarHBondContact O-CG 3.3Å; G228-L232 PolarHBondContact O-N 3.28Å; G228-L232 VanDerWaalsContact O-N 3.11Å; I229-L232 PolarHBondContact O-N 3.13Å; Q230-L232 VanDerWaalsContact C-N 3.3Å; Q230-L232 PolarHBondContact O-N 2.71Å; L232-R235 PolarHBondContact O-N 2.97Å; L232-L236 WeakPolarHBondContact O-CB 3.33Å; L232-L236 WeakPolarHBondContact O-CG 3.36Å; L232-L236 PolarHBondContact O-N 2.9Å; L232-T251 HydrophobicContact CD2-CG2 4.09Å; L232-V255 HydrophobicContact CD1-CG1 4.29Å; L232-V255 HydrophobicContact CD1-CG2 4.46Å; L232-V255 HydrophobicContact CD2-CG2 3.88Å; L232-V255 HydrophobicContact CG-CG2 3.84Å
233	Q	95.3	Very high	93.3	Very high	125 Å²	125	89.9 Å²	89.9	58%	0.584	45%	0.445	S	S	*	.	H	α-helix	trans	-62.9	-44.6	176.4	-76.3	174.9	-20.8	0	0	112.2	I229 Q230 R235 L236 S237	I229-Q233 HydrophobicContact CG2-CG 4.21Å; I229-Q233 WeakPolarHBondContact O-CB 3.33Å; I229-Q233 VanDerWaalsContact O-CG 3.28Å; I229-Q233 WeakPolarHBondContact O-CG 3.35Å; I229-Q233 PolarHBondContact O-N 3.25Å; Q230-Q233 PolarHBondContact O-N 3.04Å; Q233-R235 VanDerWaalsContact C-N 3.35Å; Q233-R235 PolarHBondContact O-N 3.44Å; Q233-L236 PolarHBondContact O-N 3.02Å; Q233-S237 PolarHBondContact O-N 3.05Å
234	E	92.8	Very high	93.2	Very high	90 Å²	90	86.6 Å²	86.6	42%	0.421	43%	0.434	S	S	.	.	H	α-helix	trans	-57.1	-48.4	174.9	-74.2	170.5	-172.5	0	0	110.5	Q230 L236 S237	Q230-E234 HydrophobicContact CG-CG 4.44Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.35Å; Q230-E234 PolarHBondContact NE2-OE1 3.29Å; Q230-E234 WeakPolarHBondContact O-CG 3.36Å; Q230-E234 PolarHBondContact O-N 2.89Å; E234-L236 PolarHBondContact O-N 2.96Å; E234-S237 PolarHBondContact O-N 3.12Å; E234-S237 PolarHBondContact O-OG 2.86Å
235	R	92.8	Very high	93	Very high	38 Å²	38	90.7 Å²	90.7	14%	0.143	46%	0.455	C	S	.	.	H	α-helix	trans	-62.9	-44.1	177.3	-178.4	60.5	65.1	-174.5	-2.3	112.6	I231 L232 Q233 S237 E238 D243 F244 G247 T251	I231-R235 PolarHBondContact O-N 3.48Å; I231-R235 VanDerWaalsContact O-N 3.17Å; L232-R235 PolarHBondContact O-N 2.97Å; Q233-R235 VanDerWaalsContact C-N 3.35Å; Q233-R235 PolarHBondContact O-N 3.44Å; R235-S237 PolarHBondContact O-N 2.88Å; R235-E238 VanDerWaalsContact CD-OE2 3.22Å; R235-E238 WeakPolarHBondContact CD-OE2 3.35Å; R235-E238 IonicContact CZ-OE1 3.53Å; R235-E238 IonicContact CZ-OE2 3.5Å; R235-E238 IonicContact NE-OE2 3.02Å; R235-E238 VanDerWaalsContact NH1-CD 3.31Å; R235-E238 IonicContact NH1-OE1 2.7Å; R235-E238 PolarHBondContact NH1-OE1 3.03Å; R235-E238 VanDerWaalsContact NH1-OE1 3.15Å; R235-E238 IonicContact NH1-OE2 3.86Å; R235-E238 PolarHBondContact NH1-OE2 3.41Å; R235-E238 PolarHBondContact O-N 3.45Å; R235-D243 PolarHBondContact NH1-O 3.07Å; R235-F244 HydrophobicContact CG-CD2 4.01Å; R235-F244 HydrophobicContact CG-CE2 3.71Å; R235-F244 HydrophobicContact CG-CZ 4.45Å; R235-F244 WeakPolarHBondContact O-CD2 3.36Å; R235-F244 WeakPolarHBondContact O-CE2 3.38Å; R235-G247 VanDerWaalsContact CZ-CA 3.48Å; R235-G247 VanDerWaalsContact NH2-C 3.34Å; R235-G247 VanDerWaalsContact NH2-CA 3.29Å; R235-G247 PolarHBondContact NH2-O 2.9Å; R235-T251 HydrophobicContact CB-CG2 4.13Å; R235-T251 HydrophobicContact CG-CG2 4.23Å; R235-T251 PolarHBondContact NE-OG1 3.47Å; R235-T251 PolarHBondContact NH2-OG1 3.09Å
236	L	92.1	Very high	92.7	Very high	134 Å²	134	95 Å²	95	70%	0.702	47%	0.472	S	S	*	.	H	α-helix	trans	-66.6	-17.4	179.4	-72.7	169.4	0	0	0	113	L232 Q233 E234	L232-L236 WeakPolarHBondContact O-CB 3.33Å; L232-L236 WeakPolarHBondContact O-CG 3.36Å; L232-L236 PolarHBondContact O-N 2.9Å; Q233-L236 PolarHBondContact O-N 3.02Å; E234-L236 PolarHBondContact O-N 2.96Å
237	S	92.6	Very high	92.4	Very high	89 Å²	89	89.1 Å²	89.1	62%	0.622	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.5	176.9	75.2	0	0	0	0	114.3	Q233 E234 R235 T239	Q233-S237 PolarHBondContact O-N 3.05Å; E234-S237 PolarHBondContact O-N 3.12Å; E234-S237 PolarHBondContact O-OG 2.86Å; R235-S237 PolarHBondContact O-N 2.88Å; S237-T239 PolarHBondContact O-N 2.93Å
238	E	90.9	Very high	92.2	Very high	77 Å²	77	88.1 Å²	88.1	36%	0.36	45%	0.448	S	S	.	.			trans	-67.2	124.3	175.8	-80.6	171.4	171.9	0	0	111.2	R235 F244	R235-E238 VanDerWaalsContact CD-OE2 3.22Å; R235-E238 WeakPolarHBondContact CD-OE2 3.35Å; R235-E238 IonicContact CZ-OE1 3.53Å; R235-E238 IonicContact CZ-OE2 3.5Å; R235-E238 IonicContact NE-OE2 3.02Å; R235-E238 VanDerWaalsContact NH1-CD 3.31Å; R235-E238 IonicContact NH1-OE1 2.7Å; R235-E238 PolarHBondContact NH1-OE1 3.03Å; R235-E238 VanDerWaalsContact NH1-OE1 3.15Å; R235-E238 IonicContact NH1-OE2 3.86Å; R235-E238 PolarHBondContact NH1-OE2 3.41Å; R235-E238 PolarHBondContact O-N 3.45Å; E238-F244 HydrophobicContact CB-CB 4.48Å; E238-F244 HydrophobicContact CB-CD2 4.45Å; E238-F244 VanDerWaalsContact OE2-CA 3.27Å; E238-F244 WeakPolarHBondContact OE2-CA 3.37Å
239	T	88.9	Confident	91.9	Very high	145 Å²	145	91.5 Å²	91.5	89%	0.89	48%	0.475	S	S	*	.			trans	-88.1	-21.8	-178.7	52	0	0	0	0	113	S237	S237-T239 PolarHBondContact O-N 2.93Å
240	G	90.8	Very high	91.7	Very high	28 Å²	28	92.9 Å²	92.9	29%	0.289	48%	0.483	S	S	.	.			trans	-80.8	117.4	178.7	0	0	0	0	0	112.1	H242 F244	G240-H242 VanDerWaalsContact C-N 3.32Å; G240-H242 PolarHBondContact O-N 3.44Å; G240-F244 VanDerWaalsContact O-CB 3.3Å; G240-F244 WeakPolarHBondContact O-CB 3.31Å; G240-F244 PolarHBondContact O-N 3.18Å
241	R	89.7	Confident	91.5	Very high	223 Å²	223	88.4 Å²	88.4	84%	0.842	46%	0.463	S	S	*	.	H	α-helix	trans	-63.4	-34.3	-177.2	-64.9	-177.2	-177.8	173.6	0.6	113.7	L245	R241-L245 VanDerWaalsContact O-CG 3.32Å; R241-L245 WeakPolarHBondContact O-CG 3.45Å; R241-L245 PolarHBondContact O-N 3.01Å
242	H	91.3	Very high	91.4	Very high	136 Å²	136	91.9 Å²	91.9	63%	0.63	49%	0.487	S	S	*	.	H	α-helix	trans	-72.3	-53	179.8	-178.1	-83.9	0	0	0	111	G240 F244 L245 E246	G240-H242 VanDerWaalsContact C-N 3.32Å; G240-H242 PolarHBondContact O-N 3.44Å; H242-F244 VanDerWaalsContact C-N 3.26Å; H242-F244 PolarHBondContact O-N 3.19Å; H242-L245 PolarHBondContact O-N 2.93Å; H242-E246 IonicContact CE1-OE2 2.73Å; H242-E246 PolarHBondContact O-N 2.94Å
243	D	86.6	Confident	91.3	Very high	95 Å²	95	94 Å²	94	51%	0.508	50%	0.495	S	S	.	.	H	α-helix	trans	-59.8	-37.7	-179.7	-52.3	-29.3	0	0	0	111.8	R235 G247	R235-D243 PolarHBondContact NH1-O 3.07Å; D243-G247 PolarHBondContact O-N 2.84Å
244	F	92.6	Very high	91.2	Very high	67 Å²	67	93.8 Å²	93.8	29%	0.294	49%	0.489	S	S	.	.	H	α-helix	trans	-56.4	-52.9	171.8	179.3	-89.6	0	0	0	112	R235 E238 G240 H242 V248	R235-F244 HydrophobicContact CG-CD2 4.01Å; R235-F244 HydrophobicContact CG-CE2 3.71Å; R235-F244 HydrophobicContact CG-CZ 4.45Å; R235-F244 WeakPolarHBondContact O-CD2 3.36Å; R235-F244 WeakPolarHBondContact O-CE2 3.38Å; E238-F244 HydrophobicContact CB-CB 4.48Å; E238-F244 HydrophobicContact CB-CD2 4.45Å; E238-F244 VanDerWaalsContact OE2-CA 3.27Å; E238-F244 WeakPolarHBondContact OE2-CA 3.37Å; G240-F244 VanDerWaalsContact O-CB 3.3Å; G240-F244 WeakPolarHBondContact O-CB 3.31Å; G240-F244 PolarHBondContact O-N 3.18Å; H242-F244 VanDerWaalsContact C-N 3.26Å; H242-F244 PolarHBondContact O-N 3.19Å; F244-V248 HydrophobicContact CD1-CG2 4.33Å; F244-V248 HydrophobicContact CE1-CG2 4.13Å; F244-V248 WeakPolarHBondContact O-CG2 3.25Å; F244-V248 PolarHBondContact O-N 3.44Å
245	L	91.6	Very high	91.2	Very high	123 Å²	123	90.4 Å²	90.4	64%	0.644	47%	0.474	S	S	*	.	H	α-helix	trans	-67.7	-38.5	-176.1	-72.3	174.1	0	0	0	112.5	R241 H242 G247 V248	R241-L245 VanDerWaalsContact O-CG 3.32Å; R241-L245 WeakPolarHBondContact O-CG 3.45Å; R241-L245 PolarHBondContact O-N 3.01Å; H242-L245 PolarHBondContact O-N 2.93Å; L245-G247 VanDerWaalsContact C-N 3.32Å; L245-G247 PolarHBondContact O-N 3.03Å; L245-V248 PolarHBondContact O-N 3.46Å
246	E	90.1	Very high	91.2	Very high	139 Å²	139	95.5 Å²	95.5	65%	0.65	50%	0.497	S	S	*	.	H	α-helix	trans	-62.2	-39.4	179.7	-175.3	171.7	-154.6	0	0	111.8	H242	H242-E246 IonicContact CE1-OE2 2.73Å; H242-E246 PolarHBondContact O-N 2.94Å
247	G	89.4	Confident	91.1	Very high	8 Å²	8	92 Å²	92	8%	0.082	49%	0.494	C	S	.	.	H	α-helix	trans	-89.3	-2.4	-176.9	0	0	0	0	0	116.1	R235 D243 L245 A249 I250 T251	R235-G247 VanDerWaalsContact CZ-CA 3.48Å; R235-G247 VanDerWaalsContact NH2-C 3.34Å; R235-G247 VanDerWaalsContact NH2-CA 3.29Å; R235-G247 PolarHBondContact NH2-O 2.9Å; D243-G247 PolarHBondContact O-N 2.84Å; L245-G247 VanDerWaalsContact C-N 3.32Å; L245-G247 PolarHBondContact O-N 3.03Å; G247-A249 VanDerWaalsContact C-N 3.29Å; G247-A249 PolarHBondContact O-N 2.74Å; G247-I250 PolarHBondContact O-N 2.58Å; G247-T251 PolarHBondContact O-N 2.7Å; G247-T251 PolarHBondContact O-OG1 3.33Å
248	V	91.4	Very high	91.1	Very high	61 Å²	61	89.1 Å²	89.1	37%	0.37	47%	0.47	S	S	.	.	H	α-helix	trans	-56.5	-41.7	179.6	175.5	0	0	0	0	111.9	F244 L245 I250 T251 S252	F244-V248 HydrophobicContact CD1-CG2 4.33Å; F244-V248 HydrophobicContact CE1-CG2 4.13Å; F244-V248 WeakPolarHBondContact O-CG2 3.25Å; F244-V248 PolarHBondContact O-N 3.44Å; L245-V248 PolarHBondContact O-N 3.46Å; V248-I250 VanDerWaalsContact C-N 3.35Å; V248-I250 PolarHBondContact O-N 2.94Å; V248-T251 PolarHBondContact O-N 3.08Å; V248-S252 VanDerWaalsContact O-CB 3.31Å; V248-S252 WeakPolarHBondContact O-CB 3.48Å; V248-S252 PolarHBondContact O-N 3.1Å
249	A	90.6	Very high	91.1	Very high	75 Å²	75	92.3 Å²	92.3	62%	0.62	49%	0.488	S	S	*	.	H	α-helix	trans	-61.3	-44	-179.1	0	0	0	0	0	111.8	G247 S252 E253	G247-A249 VanDerWaalsContact C-N 3.29Å; G247-A249 PolarHBondContact O-N 2.74Å; A249-S252 PolarHBondContact O-N 2.83Å; A249-E253 PolarHBondContact O-N 3.01Å; A249-E253 VanDerWaalsContact O-N 3.16Å
250	I	91.6	Very high	91.1	Very high	111 Å²	111	88.4 Å²	88.4	57%	0.569	46%	0.46	S	S	*	.	H	α-helix	trans	-67.4	-43.9	178.1	-61	169.9	0	0	0	110.4	G247 V248 E253 R254	G247-I250 PolarHBondContact O-N 2.58Å; V248-I250 VanDerWaalsContact C-N 3.35Å; V248-I250 PolarHBondContact O-N 2.94Å; I250-E253 PolarHBondContact O-N 2.81Å; I250-R254 WeakPolarHBondContact O-CG 3.49Å; I250-R254 PolarHBondContact O-N 2.61Å
251	T	91.9	Very high	90.9	Very high	10 Å²	10	94.7 Å²	94.7	6%	0.061	48%	0.482	C	S	.	.	H	α-helix	trans	-62.3	-42.7	177.2	-71.3	0	0	0	0	111.8	I231 L232 R235 G247 V248 E253 R254 V255	I231-T251 HydrophobicContact CG2-CG2 3.97Å; L232-T251 HydrophobicContact CD2-CG2 4.09Å; R235-T251 HydrophobicContact CB-CG2 4.13Å; R235-T251 HydrophobicContact CG-CG2 4.23Å; R235-T251 PolarHBondContact NE-OG1 3.47Å; R235-T251 PolarHBondContact NH2-OG1 3.09Å; G247-T251 PolarHBondContact O-N 2.7Å; G247-T251 PolarHBondContact O-OG1 3.33Å; V248-T251 PolarHBondContact O-N 3.08Å; T251-E253 PolarHBondContact O-N 3.31Å; T251-R254 PolarHBondContact O-N 3.29Å; T251-V255 HydrophobicContact CG2-CG2 4.4Å; T251-V255 VanDerWaalsContact O-CG2 3.29Å; T251-V255 WeakPolarHBondContact O-CG2 2.94Å; T251-V255 PolarHBondContact O-N 3.28Å
252	S	91.3	Very high	90.7	Very high	78 Å²	78	89.3 Å²	89.3	55%	0.545	47%	0.474	S	S	.	.	H	α-helix	trans	-59.5	-45.2	177.3	-171.4	0	0	0	0	111.6	V248 A249 R254 V255 K256	V248-S252 VanDerWaalsContact O-CB 3.31Å; V248-S252 WeakPolarHBondContact O-CB 3.48Å; V248-S252 PolarHBondContact O-N 3.1Å; A249-S252 PolarHBondContact O-N 2.83Å; S252-R254 PolarHBondContact O-N 2.94Å; S252-V255 PolarHBondContact O-N 3Å; S252-K256 PolarHBondContact O-N 3.29Å; S252-K256 VanDerWaalsContact O-N 3.11Å
253	E	92.9	Very high	90.2	Very high	121 Å²	121	88.8 Å²	88.8	57%	0.565	48%	0.476	S	S	*	.	H	α-helix	trans	-66.3	-37.7	178.1	-163.7	60.8	-148.3	0	0	112	A249 I250 T251 V255 K256	A249-E253 PolarHBondContact O-N 3.01Å; A249-E253 VanDerWaalsContact O-N 3.16Å; I250-E253 PolarHBondContact O-N 2.81Å; T251-E253 PolarHBondContact O-N 3.31Å; E253-V255 VanDerWaalsContact C-N 3.32Å; E253-V255 PolarHBondContact O-N 3.16Å; E253-K256 WeakPolarHBondContact O-CB 3.47Å; E253-K256 PolarHBondContact O-N 3.05Å; E253-K256 IonicContact OE1-NZ 3.81Å; E253-K256 PolarHBondContact OE1-NZ 2.95Å; E253-K256 IonicContact OE2-NZ 3.84Å
254	R	93.1	Very high	90.2	Very high	121 Å²	121	89.8 Å²	89.8	46%	0.457	48%	0.48	S	S	.	.	H	α-helix	trans	-68.8	-26.9	177.2	-70.3	176.2	66.8	-163.3	-0	113.8	I231 I250 T251 S252 K258	I231-R254 HydrophobicContact CD1-CB 4.11Å; I231-R254 HydrophobicContact CG2-CB 4.35Å; I250-R254 WeakPolarHBondContact O-CG 3.49Å; I250-R254 PolarHBondContact O-N 2.61Å; T251-R254 PolarHBondContact O-N 3.29Å; S252-R254 PolarHBondContact O-N 2.94Å; R254-K258 WeakPolarHBondContact O-CD 3.49Å; R254-K258 WeakPolarHBondContact O-CE 3.48Å
255	V	93.8	Very high	89.7	Confident	19 Å²	19	91.1 Å²	91.1	12%	0.115	49%	0.494	C	S	.	.	H	α-helix	trans	-87.2	-21.7	179.7	172.8	0	0	0	0	111.9	I231 L232 T251 S252 E253 G257 K258	I231-V255 HydrophobicContact CB-CG2 4.3Å; I231-V255 HydrophobicContact CG2-CG2 3.85Å; L232-V255 HydrophobicContact CD1-CG1 4.29Å; L232-V255 HydrophobicContact CD1-CG2 4.46Å; L232-V255 HydrophobicContact CD2-CG2 3.88Å; L232-V255 HydrophobicContact CG-CG2 3.84Å; T251-V255 HydrophobicContact CG2-CG2 4.4Å; T251-V255 VanDerWaalsContact O-CG2 3.29Å; T251-V255 WeakPolarHBondContact O-CG2 2.94Å; T251-V255 PolarHBondContact O-N 3.28Å; S252-V255 PolarHBondContact O-N 3Å; E253-V255 VanDerWaalsContact C-N 3.32Å; E253-V255 PolarHBondContact O-N 3.16Å; V255-G257 PolarHBondContact O-N 3.5Å; V255-K258 WeakPolarHBondContact O-CB 3.42Å; V255-K258 PolarHBondContact O-N 3.43Å
256	K	92.8	Very high	89.1	Confident	145 Å²	145	94.3 Å²	94.3	63%	0.63	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	129.1	-179.2	-168	178.1	178	-176.4	0	111.4	S252 E253 K258	S252-K256 PolarHBondContact O-N 3.29Å; S252-K256 VanDerWaalsContact O-N 3.11Å; E253-K256 WeakPolarHBondContact O-CB 3.47Å; E253-K256 PolarHBondContact O-N 3.05Å; E253-K256 IonicContact OE1-NZ 3.81Å; E253-K256 PolarHBondContact OE1-NZ 2.95Å; E253-K256 IonicContact OE2-NZ 3.84Å; K256-K258 VanDerWaalsContact C-N 3.25Å; K256-K258 PolarHBondContact O-N 3.49Å
257	G	89.2	Confident	88.8	Confident	61 Å²	61	92.8 Å²	92.8	63%	0.629	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	1.5	-179.2	0	0	0	0	0	115.4	V255 H260	V255-G257 PolarHBondContact O-N 3.5Å; G257-H260 PolarHBondContact O-CE1 3.49Å; G257-H260 VanDerWaalsContact O-CE1 3.28Å
258	K	92.5	Very high	88.5	Confident	28 Å²	28	98.1 Å²	98.1	12%	0.122	52%	0.518	C	S	.	.			trans	-87	-14.1	175.3	-65.2	-173.2	177.4	-73.2	0	113.7	D224 V225 E227 I231 R254 V255 K256 H260	D224-K258 HydrophobicContact CB-CG 4.46Å; D224-K258 WeakPolarHBondContact O-CD 3.24Å; V225-K258 WeakPolarHBondContact CG2-O 3.48Å; E227-K258 IonicContact OE1-NZ 3.73Å; E227-K258 PolarHBondContact OE1-NZ 2.91Å; E227-K258 IonicContact OE2-NZ 3.15Å; E227-K258 PolarHBondContact OE2-NZ 3.25Å; I231-K258 HydrophobicContact CD1-CD 4.33Å; R254-K258 WeakPolarHBondContact O-CD 3.49Å; R254-K258 WeakPolarHBondContact O-CE 3.48Å; V255-K258 WeakPolarHBondContact O-CB 3.42Å; V255-K258 PolarHBondContact O-N 3.43Å; K256-K258 VanDerWaalsContact C-N 3.25Å; K256-K258 PolarHBondContact O-N 3.49Å; K258-H260 PolarHBondContact O-ND1 3.4Å
259	I	90.9	Very high	88.3	Confident	144 Å²	144	98 Å²	98	74%	0.738	51%	0.513	S	S	*	.			trans	-85.4	121.2	175.3	-59.1	173.3	0	0	0	108.7
260	H	89.6	Confident	87.9	Confident	63 Å²	63	97 Å²	97	29%	0.292	50%	0.5	S	S	.	.			trans	-123.6	139.6	-178.1	-63.9	88.6	0	0	0	110.2	Q221 V225 G257 K258	Q221-H260 HydrophobicContact CB-CB 4.36Å; Q221-H260 HydrophobicContact CG-CB 4.42Å; V225-H260 HydrophobicContact CG2-CB 4.45Å; G257-H260 PolarHBondContact O-CE1 3.49Å; G257-H260 VanDerWaalsContact O-CE1 3.28Å; K258-H260 PolarHBondContact O-ND1 3.4Å
261	E	85.2	Confident	87.5	Confident	161 Å²	161	95.3 Å²	95.3	75%	0.752	50%	0.495	S	S	*	.			trans	-84.1	136.2	172.1	-71.9	-176.1	175.7	0	0	111.2
262	T	86.4	Confident	87	Confident	110 Å²	110	99.8 Å²	99.8	68%	0.675	53%	0.527	S	S	*	.			trans	-93.8	102.4	178.7	-51	0	0	0	0	110.7	Y218	Y218-T262 HydrophobicContact CE1-CG2 4.14Å
263	N	81.3	Confident	86.6	Confident	125 Å²	125	100.8 Å²	100.8	67%	0.668	52%	0.521	S	S	*	.			trans	-119.3	71.7	173.4	-69	-42.8	0	0	0	111	Y218	Y218-N263 VanDerWaalsContact OH-C 3.29Å; Y218-N263 PolarHBondContact OH-O 2.93Å
264	L	86.3	Confident	86.2	Confident	115 Å²	115	97.2 Å²	97.2	60%	0.602	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-92.5	118.5	177.6	-178.7	68.8	0	0	0	110.2	Y218	Y218-L264 HydrophobicContact CD2-CD1 4.43Å; Y218-L264 HydrophobicContact CE2-CB 4.32Å; Y218-L264 HydrophobicContact CE2-CD1 3.73Å; Y218-L264 PolarHBondContact OH-N 2.9Å
265	T	82.1	Confident	85.5	Confident	96 Å²	96	98.6 Å²	98.6	59%	0.589	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-100.8	129.5	168.3	51.7	0	0	0	0	109.9
266	Y	79.6	Confident	84.9	Confident	189 Å²	189	99.7 Å²	99.7	74%	0.741	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-85.9	129.6	171.1	177.1	-94.9	0	0	0	109	D268	Y266-D268 WeakPolarHBondContact CE1-OD1 3.28Å; Y266-D268 PolarHBondContact OH-OD1 3.46Å
267	E	82.6	Confident	84.7	Confident	108 Å²	108	97 Å²	97	51%	0.505	53%	0.529	S	S	.	.			trans	-124.8	121.8	177.7	-78	178.5	-177.1	0	0	108.4	K207	K207-E267 WeakPolarHBondContact CE-O 3.44Å; K207-E267 VanDerWaalsContact NZ-CB 3.32Å; K207-E267 IonicContact NZ-OE2 3.28Å; K207-E267 PolarHBondContact NZ-OE2 2.92Å
268	D	82.9	Confident	84.5	Confident	119 Å²	119	97.9 Å²	97.9	64%	0.636	52%	0.519	S	S	*	.			trans	-64.7	148.9	177.6	-79.3	-50.7	0	0	0	112.3	Y266	Y266-D268 WeakPolarHBondContact CE1-OD1 3.28Å; Y266-D268 PolarHBondContact OH-OD1 3.46Å
269	F	87.1	Confident	84.2	Confident	59 Å²	59	104.6 Å²	104.6	26%	0.259	55%	0.55	S	S	.	*			trans	-62.2	138.9	164.8	-172.6	-101.3	0	0	0	109.1	L200 D203 K207 T271 Y274	L200-F269 HydrophobicContact CD1-CE1 3.84Å; L200-F269 HydrophobicContact CD1-CZ 3.78Å; D203-F269 HydrophobicContact CB-CE2 4.27Å; D203-F269 HydrophobicContact CB-CZ 4.24Å; K207-F269 HydrophobicContact CB-CD2 4.17Å; K207-F269 HydrophobicContact CB-CE2 4.48Å; K207-F269 HydrophobicContact CG-CD2 4.3Å; F269-T271 PolarHBondContact O-N 3.21Å; F269-T271 PolarHBondContact O-OG1 3.36Å; F269-Y274 HydrophobicContact CE1-CE2 4.37Å
270	P	83	Confident	84	Confident	54 Å²	54	103.6 Å²	103.6	35%	0.351	54%	0.538	S	S	.	.			trans	-74.6	57.5	-175.5	32.1	-37.6	0	0	0	112.5	S272 K273	P270-S272 PolarHBondContact O-N 2.74Å; P270-K273 HydrophobicContact CB-CB 4.47Å; P270-K273 WeakPolarHBondContact O-CB 3.28Å; P270-K273 PolarHBondContact O-N 3.43Å
271	T	82.7	Confident	83.7	Confident	75 Å²	75	103.6 Å²	103.6	46%	0.46	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-58.2	-32.6	-179.4	-48	0	0	0	0	111.7	F269 K273 Y274 M275	F269-T271 PolarHBondContact O-N 3.21Å; F269-T271 PolarHBondContact O-OG1 3.36Å; T271-K273 PolarHBondContact O-N 2.96Å; T271-Y274 PolarHBondContact O-N 2.83Å; T271-M275 HydrophobicContact CG2-CG 3.73Å; T271-M275 HydrophobicContact CG2-SD 4.47Å; T271-M275 WeakPolarHBondContact O-CG 3.16Å; T271-M275 PolarHBondContact O-N 3.48Å; T271-M275 VanDerWaalsContact O-N 3.13Å
272	S	82.6	Confident	83.9	Confident	105 Å²	105	97.6 Å²	97.6	73%	0.734	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-59.2	-27.5	176.3	55.9	0	0	0	0	113.8	P270 Y274	P270-S272 PolarHBondContact O-N 2.74Å; S272-Y274 PolarHBondContact O-N 2.97Å
273	K	83	Confident	83.8	Confident	99 Å²	99	98.4 Å²	98.4	43%	0.43	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-61	-29.4	174.7	-175.8	178.3	170.2	-174.3	0	112.3	E199 D203 P270 T271	E199-K273 WeakPolarHBondContact OE1-CE 3.43Å; E199-K273 IonicContact OE1-NZ 3.13Å; E199-K273 PolarHBondContact OE1-NZ 2.92Å; D203-K273 IonicContact OD2-NZ 3.7Å; D203-K273 PolarHBondContact OD2-NZ 2.97Å; P270-K273 HydrophobicContact CB-CB 4.47Å; P270-K273 WeakPolarHBondContact O-CB 3.28Å; P270-K273 PolarHBondContact O-N 3.43Å; T271-K273 PolarHBondContact O-N 2.96Å
274	Y	83.9	Confident	83.9	Confident	45 Å²	45	96.5 Å²	96.5	18%	0.176	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-13.2	-173.3	-56.1	-75.4	0	0	0	113.8	L200 D203 F269 T271 S272	L200-Y274 HydrophobicContact CB-CE1 4.08Å; L200-Y274 HydrophobicContact CD1-CD1 4.49Å; L200-Y274 HydrophobicContact CD1-CD2 3.76Å; L200-Y274 HydrophobicContact CD1-CE1 4.33Å; L200-Y274 HydrophobicContact CD1-CE2 3.57Å; L200-Y274 HydrophobicContact CD1-CG 4.23Å; D203-Y274 PolarHBondContact OD2-OH 2.92Å; F269-Y274 HydrophobicContact CE1-CE2 4.37Å; T271-Y274 PolarHBondContact O-N 2.83Å; S272-Y274 PolarHBondContact O-N 2.97Å
275	M	78	Confident	83.8	Confident	151 Å²	151	92 Å²	92	74%	0.744	47%	0.471	S	S	*	.	S	Bend	trans	-90.8	4.6	-177	-69	-72.7	-79.2	0	0	114.6	T271	T271-M275 HydrophobicContact CG2-CG 3.73Å; T271-M275 HydrophobicContact CG2-SD 4.47Å; T271-M275 WeakPolarHBondContact O-CG 3.16Å; T271-M275 PolarHBondContact O-N 3.48Å; T271-M275 VanDerWaalsContact O-N 3.13Å
276	G	82.1	Confident	83.9	Confident	41 Å²	41	88.9 Å²	88.9	42%	0.423	45%	0.45	S	S	.	.	S	Bend	trans	-63.8	178.1	174.4	0	0	0	0	0	113	L278	G276-L278 PolarHBondContact O-N 3.5Å
277	P	88.1	Confident	83.7	Confident	90 Å²	90	81.8 Å²	81.8	58%	0.584	42%	0.423	S	S	*	.			trans	-70.3	77.2	178.4	31.7	-36.5	0	0	0	110.9	Q279 Y280 T281	P277-Q279 VanDerWaalsContact C-N 3.34Å; P277-Q279 PolarHBondContact O-N 3.42Å; P277-Y280 WeakPolarHBondContact O-CB 3.44Å; P277-Y280 PolarHBondContact O-N 3.43Å; P277-T281 PolarHBondContact O-N 3.02Å; P277-T281 PolarHBondContact O-OG1 3.44Å
278	L	84.9	Confident	83.4	Confident	79 Å²	79	84.3 Å²	84.3	41%	0.414	44%	0.435	S	S	.	.	H	α-helix	trans	-52.4	-48.6	-167.6	179	61.6	0	0	0	112.8	M196 G276 Y280 T281 I282	M196-L278 HydrophobicContact CE-CD1 3.21Å; M196-L278 HydrophobicContact SD-CD1 3.67Å; G276-L278 PolarHBondContact O-N 3.5Å; L278-Y280 VanDerWaalsContact C-N 3.3Å; L278-Y280 PolarHBondContact O-N 2.91Å; L278-T281 PolarHBondContact O-N 3.41Å; L278-I282 HydrophobicContact CD1-CD1 3.95Å; L278-I282 HydrophobicContact CD1-CG1 4.3Å; L278-I282 HydrophobicContact CG-CD1 3.84Å; L278-I282 VanDerWaalsContact O-CG1 3.24Å; L278-I282 WeakPolarHBondContact O-CG1 3.45Å; L278-I282 PolarHBondContact O-N 2.96Å
279	Q	86.3	Confident	83.1	Confident	168 Å²	168	83.6 Å²	83.6	79%	0.785	43%	0.431	S	S	*	.	H	α-helix	trans	-60.1	-40.7	179.3	-67.4	180	-14.6	0	0	112	P277 I282 W283	P277-Q279 VanDerWaalsContact C-N 3.34Å; P277-Q279 PolarHBondContact O-N 3.42Å; Q279-I282 PolarHBondContact O-N 3.1Å; Q279-W283 WeakPolarHBondContact O-CB 3.42Å; Q279-W283 PolarHBondContact O-N 3.32Å
280	Y	85.6	Confident	82.7	Confident	123 Å²	123	84 Å²	84	48%	0.482	44%	0.435	S	S	.	.	H	α-helix	trans	-70.9	-39.3	178.8	-175.8	-111.3	0	0	0	111.9	P277 L278 I282 W283 K284	P277-Y280 WeakPolarHBondContact O-CB 3.44Å; P277-Y280 PolarHBondContact O-N 3.43Å; L278-Y280 VanDerWaalsContact C-N 3.3Å; L278-Y280 PolarHBondContact O-N 2.91Å; Y280-I282 VanDerWaalsContact C-N 3.35Å; Y280-W283 AromaticContact CD2-CE3 3.81Å; Y280-W283 HydrophobicContact CD2-CE3 3.81Å; Y280-W283 HydrophobicContact CD2-CZ3 4.24Å; Y280-W283 AromaticContact CE2-CE3 3.58Å; Y280-W283 HydrophobicContact CE2-CE3 3.58Å; Y280-W283 AromaticContact CE2-CZ3 3.53Å; Y280-W283 HydrophobicContact CE2-CZ3 3.53Å; Y280-W283 PolarHBondContact O-N 3.39Å; Y280-K284 HydrophobicContact CD1-CG 4.48Å; Y280-K284 HydrophobicContact CE1-CD 3.98Å; Y280-K284 HydrophobicContact CE1-CG 4.1Å; Y280-K284 HydrophobicContact CE2-CG 4.48Å; Y280-K284 PolarHBondContact O-N 2.9Å; Y280-K284 WeakPolarHBondContact OH-CE 3.46Å
281	T	84.8	Confident	82.4	Confident	63 Å²	63	86.7 Å²	86.7	39%	0.387	46%	0.455	S	S	.	.	H	α-helix	trans	-61.1	-44.3	173.7	-56.7	0	0	0	0	111.3	P277 L278 K284 S285	P277-T281 PolarHBondContact O-N 3.02Å; P277-T281 PolarHBondContact O-OG1 3.44Å; L278-T281 PolarHBondContact O-N 3.41Å; T281-K284 PolarHBondContact O-N 2.97Å; T281-S285 PolarHBondContact O-N 3.43Å; T281-S285 PolarHBondContact O-OG 3.41Å; T281-S285 VanDerWaalsContact O-OG 3.13Å
282	I	87.7	Confident	82.4	Confident	35 Å²	35	84.9 Å²	84.9	18%	0.179	45%	0.445	C	S	.	.	H	α-helix	trans	-61.7	-46.8	175.8	-67.2	165	0	0	0	110.2	F188 L189 R192 L278 Q279 Y280 K284 S285 L286	F188-I282 HydrophobicContact CE1-CG2 3.9Å; L189-I282 HydrophobicContact CD2-CG2 3.52Å; R192-I282 HydrophobicContact CG-CG1 4.36Å; L278-I282 HydrophobicContact CD1-CD1 3.95Å; L278-I282 HydrophobicContact CD1-CG1 4.3Å; L278-I282 HydrophobicContact CG-CD1 3.84Å; L278-I282 VanDerWaalsContact O-CG1 3.24Å; L278-I282 WeakPolarHBondContact O-CG1 3.45Å; L278-I282 PolarHBondContact O-N 2.96Å; Q279-I282 PolarHBondContact O-N 3.1Å; Y280-I282 VanDerWaalsContact C-N 3.35Å; I282-K284 VanDerWaalsContact C-N 3.34Å; I282-K284 PolarHBondContact O-N 3.25Å; I282-S285 WeakPolarHBondContact CA-OG 3.39Å; I282-S285 PolarHBondContact O-N 2.9Å; I282-S285 PolarHBondContact O-OG 2.84Å; I282-L286 WeakPolarHBondContact O-CB 3.13Å; I282-L286 PolarHBondContact O-N 3.16Å
283	W	84.7	Confident	82.3	Confident	127 Å²	127	82.5 Å²	82.5	48%	0.481	43%	0.426	S	S	.	.	H	α-helix	trans	-60.1	-41.4	177.1	177.5	83.1	0	0	0	112.4	Q279 Y280 L286 F287	Q279-W283 WeakPolarHBondContact O-CB 3.42Å; Q279-W283 PolarHBondContact O-N 3.32Å; Y280-W283 AromaticContact CD2-CE3 3.81Å; Y280-W283 HydrophobicContact CD2-CE3 3.81Å; Y280-W283 HydrophobicContact CD2-CZ3 4.24Å; Y280-W283 AromaticContact CE2-CE3 3.58Å; Y280-W283 HydrophobicContact CE2-CE3 3.58Å; Y280-W283 AromaticContact CE2-CZ3 3.53Å; Y280-W283 HydrophobicContact CE2-CZ3 3.53Å; Y280-W283 PolarHBondContact O-N 3.39Å; W283-L286 WeakPolarHBondContact O-CB 3.45Å; W283-L286 PolarHBondContact O-N 3.2Å; W283-F287 HydrophobicContact CD2-CD2 4.49Å; W283-F287 AromaticContact CD2-CE2 3.66Å; W283-F287 HydrophobicContact CD2-CE2 3.66Å; W283-F287 AromaticContact CE2-CE2 3.39Å; W283-F287 AromaticContact CE2-CZ 3.79Å; W283-F287 HydrophobicContact CE3-CD2 4.47Å; W283-F287 AromaticContact CE3-CE2 3.73Å; W283-F287 HydrophobicContact CE3-CE2 3.73Å; W283-F287 AromaticContact CH2-CE2 3.34Å; W283-F287 HydrophobicContact CH2-CE2 3.34Å; W283-F287 AromaticContact CH2-CZ 3.56Å; W283-F287 HydrophobicContact CH2-CZ 3.56Å; W283-F287 AromaticContact CZ2-CE2 3.26Å; W283-F287 HydrophobicContact CZ2-CE2 3.26Å; W283-F287 AromaticContact CZ2-CZ 3.3Å; W283-F287 HydrophobicContact CZ2-CZ 3.3Å; W283-F287 HydrophobicContact CZ3-CD2 4.5Å; W283-F287 AromaticContact CZ3-CE2 3.56Å; W283-F287 HydrophobicContact CZ3-CE2 3.56Å; W283-F287 HydrophobicContact CZ3-CZ 4.25Å; W283-F287 VanDerWaalsContact O-CD2 3.3Å; W283-F287 WeakPolarHBondContact O-CD2 3.36Å
284	K	84.1	Confident	82.3	Confident	85 Å²	85	78.8 Å²	78.8	37%	0.37	41%	0.412	S	S	.	.	H	α-helix	trans	-62.4	-43.2	174	-82.2	-152.8	171.9	-156.3	0	112.5	Y280 T281 I282 L286 F287	Y280-K284 HydrophobicContact CD1-CG 4.48Å; Y280-K284 HydrophobicContact CE1-CD 3.98Å; Y280-K284 HydrophobicContact CE1-CG 4.1Å; Y280-K284 HydrophobicContact CE2-CG 4.48Å; Y280-K284 PolarHBondContact O-N 2.9Å; Y280-K284 WeakPolarHBondContact OH-CE 3.46Å; T281-K284 PolarHBondContact O-N 2.97Å; I282-K284 VanDerWaalsContact C-N 3.34Å; I282-K284 PolarHBondContact O-N 3.25Å; K284-L286 VanDerWaalsContact C-N 3.26Å; K284-L286 PolarHBondContact O-N 3Å; K284-F287 PolarHBondContact O-N 3.28Å
285	S	83.4	Confident	82.1	Confident	22 Å²	22	78 Å²	78	15%	0.154	42%	0.417	C	S	.	.	H	α-helix	trans	-65.2	-31.7	174.9	45.3	0	0	0	0	112.6	F188 T281 I282 F287 Q288	F188-S285 WeakPolarHBondContact CZ-OG 3.28Å; T281-S285 PolarHBondContact O-N 3.43Å; T281-S285 PolarHBondContact O-OG 3.41Å; T281-S285 VanDerWaalsContact O-OG 3.13Å; I282-S285 WeakPolarHBondContact CA-OG 3.39Å; I282-S285 PolarHBondContact O-N 2.9Å; I282-S285 PolarHBondContact O-OG 2.84Å; S285-F287 PolarHBondContact O-N 2.95Å; S285-Q288 WeakPolarHBondContact O-CB 3.03Å; S285-Q288 PolarHBondContact O-N 3.44Å; S285-Q288 VanDerWaalsContact O-N 3.1Å
286	L	84.2	Confident	82.3	Confident	30 Å²	30	74.7 Å²	74.7	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-61.9	-29	-179	-177.3	67	0	0	0	112.7	L185 F188 I282 W283 K284 Q288 D289 I290	L185-L286 HydrophobicContact CD2-CD1 3.5Å; L185-L286 VanDerWaalsContact CD2-CD1 3.5Å; L185-L286 HydrophobicContact CD2-CD2 4.13Å; L185-L286 HydrophobicContact CD2-CG 4.23Å; F188-L286 HydrophobicContact CB-CD1 4.44Å; F188-L286 HydrophobicContact CD1-CB 4.39Å; F188-L286 HydrophobicContact CD1-CD1 3.33Å; F188-L286 HydrophobicContact CD1-CG 4.41Å; F188-L286 HydrophobicContact CD2-CD1 4.48Å; F188-L286 HydrophobicContact CE1-CB 3.71Å; F188-L286 HydrophobicContact CE1-CD1 3.56Å; F188-L286 HydrophobicContact CE1-CG 4.2Å; F188-L286 HydrophobicContact CG-CD1 3.83Å; F188-L286 HydrophobicContact CZ-CB 3.97Å; F188-L286 HydrophobicContact CZ-CD1 4.22Å; I282-L286 WeakPolarHBondContact O-CB 3.13Å; I282-L286 PolarHBondContact O-N 3.16Å; W283-L286 WeakPolarHBondContact O-CB 3.45Å; W283-L286 PolarHBondContact O-N 3.2Å; K284-L286 VanDerWaalsContact C-N 3.26Å; K284-L286 PolarHBondContact O-N 3Å; L286-Q288 PolarHBondContact O-N 2.99Å; L286-Q288 VanDerWaalsContact O-N 3.17Å; L286-D289 PolarHBondContact O-N 3.34Å; L286-I290 HydrophobicContact CD1-CD1 4.39Å; L286-I290 HydrophobicContact CD1-CG1 4.27Å; L286-I290 HydrophobicContact CD2-CD1 3.77Å; L286-I290 HydrophobicContact CG-CD1 3.6Å; L286-I290 HydrophobicContact CG-CG1 3.95Å; L286-I290 WeakPolarHBondContact O-CG1 3.43Å; L286-I290 PolarHBondContact O-N 2.83Å; L286-I290 VanDerWaalsContact O-N 3.1Å
287	F	76.5	Confident	82.8	Confident	40 Å²	40	73.2 Å²	73.2	18%	0.175	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.7	176.4	-82	-84.6	0	0	0	113.9	W283 K284 S285 D289 V293 V473 L475	W283-F287 HydrophobicContact CD2-CD2 4.49Å; W283-F287 AromaticContact CD2-CE2 3.66Å; W283-F287 HydrophobicContact CD2-CE2 3.66Å; W283-F287 AromaticContact CE2-CE2 3.39Å; W283-F287 AromaticContact CE2-CZ 3.79Å; W283-F287 HydrophobicContact CE3-CD2 4.47Å; W283-F287 AromaticContact CE3-CE2 3.73Å; W283-F287 HydrophobicContact CE3-CE2 3.73Å; W283-F287 AromaticContact CH2-CE2 3.34Å; W283-F287 HydrophobicContact CH2-CE2 3.34Å; W283-F287 AromaticContact CH2-CZ 3.56Å; W283-F287 HydrophobicContact CH2-CZ 3.56Å; W283-F287 AromaticContact CZ2-CE2 3.26Å; W283-F287 HydrophobicContact CZ2-CE2 3.26Å; W283-F287 AromaticContact CZ2-CZ 3.3Å; W283-F287 HydrophobicContact CZ2-CZ 3.3Å; W283-F287 HydrophobicContact CZ3-CD2 4.5Å; W283-F287 AromaticContact CZ3-CE2 3.56Å; W283-F287 HydrophobicContact CZ3-CE2 3.56Å; W283-F287 HydrophobicContact CZ3-CZ 4.25Å; W283-F287 VanDerWaalsContact O-CD2 3.3Å; W283-F287 WeakPolarHBondContact O-CD2 3.36Å; K284-F287 PolarHBondContact O-N 3.28Å; S285-F287 PolarHBondContact O-N 2.95Å; F287-D289 VanDerWaalsContact C-N 3.27Å; F287-V293 HydrophobicContact CD1-CG1 4.2Å; F287-V473 HydrophobicContact CE1-CG1 4.39Å; F287-L475 HydrophobicContact CB-CD2 3.79Å; F287-L475 HydrophobicContact CD2-CD2 4.35Å; F287-L475 HydrophobicContact CG-CD2 3.99Å
288	Q	75.5	Confident	83.1	Confident	160 Å²	160	71.6 Å²	71.6	75%	0.748	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-22.2	178.8	-62.9	179.6	-12.2	0	0	112	S285 L286	S285-Q288 WeakPolarHBondContact O-CB 3.03Å; S285-Q288 PolarHBondContact O-N 3.44Å; S285-Q288 VanDerWaalsContact O-N 3.1Å; L286-Q288 PolarHBondContact O-N 2.99Å; L286-Q288 VanDerWaalsContact O-N 3.17Å
289	D	77.2	Confident	83.7	Confident	104 Å²	104	68 Å²	68	56%	0.556	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-9.6	-176.7	-69.4	-50	0	0	0	113.8	F188 L286 F287	F188-D289 HydrophobicContact CD2-CB 4.25Å; F188-D289 WeakPolarHBondContact CD2-OD2 3.3Å; F188-D289 WeakPolarHBondContact CE2-OD2 3.3Å; L286-D289 PolarHBondContact O-N 3.34Å; F287-D289 VanDerWaalsContact C-N 3.27Å
290	I	77.9	Confident	84.2	Confident	68 Å²	68	61.2 Å²	61.2	35%	0.349	34%	0.335	S	S	.	.			trans	-84.1	133.2	172.5	-66.7	171	0	0	0	109.4	L185 L286 V293	L185-I290 HydrophobicContact CD2-CG1 4.18Å; L286-I290 HydrophobicContact CD1-CD1 4.39Å; L286-I290 HydrophobicContact CD1-CG1 4.27Å; L286-I290 HydrophobicContact CD2-CD1 3.77Å; L286-I290 HydrophobicContact CG-CD1 3.6Å; L286-I290 HydrophobicContact CG-CG1 3.95Å; L286-I290 WeakPolarHBondContact O-CG1 3.43Å; L286-I290 PolarHBondContact O-N 2.83Å; L286-I290 VanDerWaalsContact O-N 3.1Å; I290-V293 HydrophobicContact CB-CG1 3.99Å; I290-V293 HydrophobicContact CG2-CG1 3.86Å; I290-V293 WeakPolarHBondContact O-CG1 3.44Å
291	S	78.1	Confident	84.6	Confident	110 Å²	110	58.6 Å²	58.6	77%	0.769	33%	0.333	S	S	*	.	S	Bend	trans	-145.7	134.9	171.3	176.9	0	0	0	0	110.8
292	P	82.1	Confident	85	Confident	37 Å²	37	58.8 Å²	58.8	24%	0.24	33%	0.331	C	S	.	.	S	Bend	cis	-77.4	145.6	-4.7	34.7	-37.1	0	0	0	111.8	V350 F419	P292-V350 HydrophobicContact CG-CG1 3.99Å; P292-F419 HydrophobicContact CG-CD2 4.06Å; P292-F419 HydrophobicContact CG-CE2 3.71Å
293	V	80.7	Confident	85.4	Confident	55 Å²	55	57.2 Å²	57.2	33%	0.333	32%	0.323	S	S	.	.			trans	-99.1	160.8	163	-73.3	0	0	0	0	109.1	F287 I290 G295	F287-V293 HydrophobicContact CD1-CG1 4.2Å; I290-V293 HydrophobicContact CB-CG1 3.99Å; I290-V293 HydrophobicContact CG2-CG1 3.86Å; I290-V293 WeakPolarHBondContact O-CG1 3.44Å; V293-G295 PolarHBondContact O-N 3.38Å
294	P	82.9	Confident	85.9	Confident	22 Å²	22	51.3 Å²	51.3	14%	0.143	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-50.3	113	171.7	-25.9	32.5	0	0	0	110.9	Y352 E354 V473	P294-Y352 CarbonylContact C-O 3.56Å; P294-Y352 WeakPolarHBondContact CA-O 3.49Å; P294-Y352 HydrophobicContact CB-CD1 4.36Å; P294-Y352 HydrophobicContact CG-CD1 3.8Å; P294-Y352 HydrophobicContact CG-CE1 3.68Å; P294-E354 HydrophobicContact CB-CG 4.4Å; P294-E354 HydrophobicContact CG-CG 4.19Å; P294-V473 HydrophobicContact CB-CG2 4.02Å; P294-V473 HydrophobicContact CG-CG2 4Å
295	G	78.9	Confident	86.3	Confident	27 Å²	27	47.7 Å²	47.7	28%	0.278	29%	0.286	S	S	.	.			trans	-69.5	145.1	-178.8	0	0	0	0	0	111.4	V293 L297 Y352	V293-G295 PolarHBondContact O-N 3.38Å; G295-L297 VanDerWaalsContact C-N 3.28Å; G295-L297 PolarHBondContact O-N 3.31Å; G295-Y352 PolarHBondContact N-O 2.96Å
296	A	83.2	Confident	86.7	Confident	83 Å²	83	50.5 Å²	50.5	69%	0.686	30%	0.296	S	S	*	.			trans	-74.1	83.5	171.2	0	0	0	0	0	109.6
297	L	91.6	Very high	87	Confident	10 Å²	10	54.3 Å²	54.3	5%	0.052	31%	0.309	C	S	.	.			trans	-84.3	144.9	176.2	-62.1	-176.2	0	0	0	111.6	G295 F346 W353 P451 F453 I470	G295-L297 VanDerWaalsContact C-N 3.28Å; G295-L297 PolarHBondContact O-N 3.31Å; L297-F346 HydrophobicContact CD2-CZ 3.97Å; L297-W353 HydrophobicContact CD1-CB 3.46Å; L297-W353 VanDerWaalsContact CD1-CB 3.46Å; L297-W353 HydrophobicContact CD1-CD2 3.49Å; L297-W353 VanDerWaalsContact CD1-CD2 3.49Å; L297-W353 HydrophobicContact CD1-CE3 4.06Å; L297-W353 HydrophobicContact CD1-CG 3.21Å; L297-W353 HydrophobicContact CG-CB 4.03Å; L297-W353 HydrophobicContact CG-CG 4.29Å; L297-P451 HydrophobicContact CD1-CB 4.12Å; L297-P451 HydrophobicContact CD1-CG 3.78Å; L297-P451 HydrophobicContact CD2-CG 4.47Å; L297-F453 HydrophobicContact CD1-CZ 4.42Å; L297-I470 HydrophobicContact CB-CD1 3.98Å; L297-I470 HydrophobicContact CB-CG2 4.03Å
298	T	95.8	Very high	87.8	Confident	56 Å²	56	52.6 Å²	52.6	34%	0.344	30%	0.301	S	S	.	.			trans	-122.1	153.4	168.5	54.1	0	0	0	0	109.8	S314 G342 A343	T298-S314 CarbonylContact C-O 3.53Å; T298-S314 WeakPolarHBondContact CA-O 3.48Å; T298-G342 CarbonylContact O-C 3.55Å; T298-G342 VanDerWaalsContact O-CA 3.31Å; T298-G342 WeakPolarHBondContact O-CA 3.43Å; T298-A343 PolarHBondContact O-N 3.26Å
299	L	97.1	Very high	88.6	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.016	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-86.7	146.8	177.4	-59.3	172.8	0	0	0	110	P301 L310 S314 V317 V340 F453 I470	L299-P301 VanDerWaalsContact O-CD 3.29Å; L299-P301 WeakPolarHBondContact O-CD 3.4Å; L299-L310 HydrophobicContact CB-CD2 3.71Å; L299-L310 HydrophobicContact CD1-CD2 4.28Å; L299-L310 HydrophobicContact CD1-CG 4.2Å; L299-S314 WeakPolarHBondContact CB-O 3.22Å; L299-S314 WeakPolarHBondContact CG-O 3.41Å; L299-S314 PolarHBondContact N-O 2.78Å; L299-V317 HydrophobicContact CD1-CB 3.59Å; L299-V317 HydrophobicContact CD1-CG1 3.83Å; L299-V340 HydrophobicContact CB-CG2 4.17Å; L299-V340 HydrophobicContact CD1-CG1 4.43Å; L299-V340 HydrophobicContact CD2-CG1 3.98Å; L299-F453 HydrophobicContact CD2-CD2 3.29Å; L299-F453 HydrophobicContact CD2-CE2 3.5Å; L299-F453 HydrophobicContact CD2-CG 3.99Å; L299-F453 HydrophobicContact CD2-CZ 4.35Å; L299-I470 HydrophobicContact CD2-CD1 3.83Å; L299-I470 HydrophobicContact CG-CD1 3.93Å
300	D	96.1	Very high	89.4	Confident	26 Å²	26	45.4 Å²	45.4	14%	0.139	27%	0.267	C	S	.	.			trans	-92	107.6	174.7	-173.5	-13	0	0	0	110.9	I302 T303 A304 V340 L341 A343	D300-I302 PolarHBondContact O-N 2.94Å; D300-I302 VanDerWaalsContact O-N 3.12Å; D300-I302 VanDerWaalsContact OD1-CB 3.25Å; D300-I302 WeakPolarHBondContact OD1-CB 3.13Å; D300-I302 WeakPolarHBondContact OD1-CG1 3.47Å; D300-I302 PolarHBondContact OD1-N 3.4Å; D300-T303 HydrophobicContact CB-CG2 3.95Å; D300-T303 PolarHBondContact O-N 3.26Å; D300-T303 PolarHBondContact O-OG1 2.9Å; D300-T303 WeakPolarHBondContact OD2-CG2 3.49Å; D300-A304 PolarHBondContact O-N 3.42Å; D300-V340 WeakPolarHBondContact O-CG2 3.26Å; D300-L341 PolarHBondContact N-O 3.28Å; D300-A343 HydrophobicContact CB-CB 4.38Å
301	P	94.3	Very high	90.2	Very high	67 Å²	67	43.7 Å²	43.7	44%	0.435	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.5	179.6	-20.2	33.5	0	0	0	113.9	L299 T303 L310 R333	L299-P301 VanDerWaalsContact O-CD 3.29Å; L299-P301 WeakPolarHBondContact O-CD 3.4Å; P301-T303 VanDerWaalsContact C-N 3.28Å; P301-L310 HydrophobicContact CB-CD2 4.21Å; P301-L310 HydrophobicContact CG-CD2 4.01Å; P301-R333 PolarHBondContact O-NH1 3.27Å
302	I	93.9	Very high	90.8	Very high	67 Å²	67	46.8 Å²	46.8	34%	0.344	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-26.8	178.9	-55.7	175.4	0	0	0	110.7	D300 R332	D300-I302 PolarHBondContact O-N 2.94Å; D300-I302 VanDerWaalsContact O-N 3.12Å; D300-I302 VanDerWaalsContact OD1-CB 3.25Å; D300-I302 WeakPolarHBondContact OD1-CB 3.13Å; D300-I302 WeakPolarHBondContact OD1-CG1 3.47Å; D300-I302 PolarHBondContact OD1-N 3.4Å; I302-R332 HydrophobicContact CG2-CB 4.23Å
303	T	95.5	Very high	91.3	Very high	3 Å²	3	48 Å²	48	2%	0.018	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-24.2	178.3	70.5	0	0	0	0	113.1	D300 P301 H305 R332 R333 F334 L341	D300-T303 HydrophobicContact CB-CG2 3.95Å; D300-T303 PolarHBondContact O-N 3.26Å; D300-T303 PolarHBondContact O-OG1 2.9Å; D300-T303 WeakPolarHBondContact OD2-CG2 3.49Å; P301-T303 VanDerWaalsContact C-N 3.28Å; T303-H305 PolarHBondContact O-N 2.95Å; T303-R332 WeakPolarHBondContact CA-O 3.16Å; T303-R333 WeakPolarHBondContact O-CA 3.15Å; T303-F334 WeakPolarHBondContact O-CD2 3.29Å; T303-F334 PolarHBondContact O-N 2.73Å; T303-L341 HydrophobicContact CG2-CB 4.17Å; T303-L341 HydrophobicContact CG2-CD1 4.21Å; T303-L341 HydrophobicContact CG2-CG 4.37Å; T303-L341 PolarHBondContact OG1-N 2.82Å
304	A	94.8	Very high	92	Very high	3 Å²	3	46.6 Å²	46.6	3%	0.025	27%	0.266	C	S	.	.	S	Bend	trans	-61	131.7	-172.5	0	0	0	0	0	113	D300 L308 L310 R333 V340	D300-A304 PolarHBondContact O-N 3.42Å; A304-L308 HydrophobicContact CB-CB 4.39Å; A304-L308 HydrophobicContact CB-CD1 4.38Å; A304-L310 HydrophobicContact CB-CD1 3.75Å; A304-R333 WeakPolarHBondContact O-CD 3.29Å; A304-R333 WeakPolarHBondContact O-CG 3.45Å; A304-R333 PolarHBondContact O-NH1 2.81Å; A304-V340 HydrophobicContact CB-CB 4Å; A304-V340 HydrophobicContact CB-CG2 3.68Å
305	H	93.6	Very high	92.5	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.042	26%	0.261	C	S	.	.			trans	-54.4	145.3	170.9	176.5	-93.3	0	0	0	112.4	T303 R307 L308 F334 D335 E337 S339	T303-H305 PolarHBondContact O-N 2.95Å; H305-R307 PolarHBondContact ND1-N 2.97Å; H305-R307 VanDerWaalsContact ND1-N 3.15Å; H305-R307 PolarHBondContact O-N 3.48Å; H305-L308 HydrophobicContact CB-CD1 4.12Å; H305-L308 HydrophobicContact CB-CG 4.11Å; H305-L308 WeakPolarHBondContact O-CB 3.38Å; H305-L308 PolarHBondContact O-N 3.3Å; H305-F334 WeakPolarHBondContact CA-O 3.36Å; H305-F334 HydrophobicContact CB-CB 4.26Å; H305-F334 PolarHBondContact CD2-O 3.11Å; H305-D335 PolarHBondContact CD2-O 3.39Å; H305-D335 VanDerWaalsContact CD2-O 3.3Å; H305-D335 PolarHBondContact NE2-O 3.36Å; H305-D335 VanDerWaalsContact NE2-O 3.12Å; H305-E337 VanDerWaalsContact CB-O 3.32Å; H305-E337 WeakPolarHBondContact CB-O 3.36Å; H305-S339 PolarHBondContact N-O 2.75Å
306	Q	91	Very high	93.3	Very high	80 Å²	80	46.6 Å²	46.6	37%	0.374	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.8	-172.8	60.3	178.7	-13.4	0	0	116	P324 Q325	Q306-P324 HydrophobicContact CB-CB 4.27Å; Q306-P324 HydrophobicContact CG-CB 4.13Å; Q306-Q325 PolarHBondContact O-N 3.5Å; Q306-Q325 VanDerWaalsContact O-N 3.1Å
307	R	90.8	Very high	93.8	Very high	111 Å²	111	42.8 Å²	42.8	42%	0.419	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.6	174.5	-64.5	-171.2	-175.9	-170.5	-1.9	113.4	H305 Y319 G320	H305-R307 PolarHBondContact ND1-N 2.97Å; H305-R307 VanDerWaalsContact ND1-N 3.15Å; H305-R307 PolarHBondContact O-N 3.48Å; R307-Y319 HydrophobicContact CB-CD2 4.21Å; R307-Y319 HydrophobicContact CB-CE2 3.75Å; R307-Y319 VanDerWaalsContact CD-OH 3.25Å; R307-Y319 WeakPolarHBondContact CD-OH 3.2Å; R307-Y319 HydrophobicContact CG-CE2 4.46Å; R307-Y319 PolarHBondContact NH1-OH 3.32Å; R307-G320 WeakPolarHBondContact O-CA 3.25Å; R307-G320 PolarHBondContact O-N 3.46Å
308	L	92.9	Very high	93.9	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	140.7	176.5	-64.7	-179	0	0	0	110.3	A304 H305 L310 V317 A318 Q325 V338 S339 V340 P455	A304-L308 HydrophobicContact CB-CB 4.39Å; A304-L308 HydrophobicContact CB-CD1 4.38Å; H305-L308 HydrophobicContact CB-CD1 4.12Å; H305-L308 HydrophobicContact CB-CG 4.11Å; H305-L308 WeakPolarHBondContact O-CB 3.38Å; H305-L308 PolarHBondContact O-N 3.3Å; L308-L310 HydrophobicContact CB-CD1 4.12Å; L308-V317 HydrophobicContact CB-CG2 4.01Å; L308-V317 HydrophobicContact CD1-CG2 3.98Å; L308-V317 HydrophobicContact CD2-CG2 3.97Å; L308-V317 HydrophobicContact CG-CG2 4.21Å; L308-A318 WeakPolarHBondContact CA-O 3.43Å; L308-Q325 PolarHBondContact O-NE2 3.49Å; L308-V338 HydrophobicContact CD2-CG1 3.63Å; L308-V338 HydrophobicContact CG-CG1 4.33Å; L308-S339 VanDerWaalsContact CD1-C 3.48Å; L308-S339 VanDerWaalsContact CD1-O 3.31Å; L308-S339 WeakPolarHBondContact CD1-O 3.3Å; L308-V340 HydrophobicContact CD1-CB 3.97Å; L308-V340 HydrophobicContact CD1-CG1 4.19Å; L308-P455 HydrophobicContact CD2-CG 3.5Å; L308-P455 VanDerWaalsContact CD2-CG 3.5Å
309	I	92.1	Very high	93.7	Very high	79 Å²	79	41.7 Å²	41.7	41%	0.405	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.2	173	-55.2	176.4	0	0	0	106.7	V317 A318	I309-V317 WeakPolarHBondContact O-CA 3.34Å; I309-A318 PolarHBondContact N-O 2.85Å; I309-A318 PolarHBondContact O-N 2.8Å
310	L	93.8	Very high	93.1	Very high	35 Å²	35	41.9 Å²	41.9	18%	0.183	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149	177.1	-77.4	68.3	0	0	0	109.3	L299 P301 A304 L308 I316 V317	L299-L310 HydrophobicContact CB-CD2 3.71Å; L299-L310 HydrophobicContact CD1-CD2 4.28Å; L299-L310 HydrophobicContact CD1-CG 4.2Å; P301-L310 HydrophobicContact CB-CD2 4.21Å; P301-L310 HydrophobicContact CG-CD2 4.01Å; A304-L310 HydrophobicContact CB-CD1 3.75Å; L308-L310 HydrophobicContact CB-CD1 4.12Å; L310-I316 VanDerWaalsContact CA-O 3.28Å; L310-I316 WeakPolarHBondContact CA-O 3.37Å; L310-V317 HydrophobicContact CD1-CG2 4.1Å
311	S	94.3	Very high	91.9	Very high	31 Å²	31	46 Å²	46	22%	0.217	24%	0.244	C	C	.	.			trans	-68.8	160.5	167.5	54	0	0	0	0	111.7	D313 S314 T315 I316	S311-D313 WeakPolarHBondContact CB-OD1 3.46Å; S311-D313 PolarHBondContact O-N 3.19Å; S311-D313 PolarHBondContact OG-OD1 3.33Å; S311-S314 WeakPolarHBondContact O-CA 3.33Å; S311-S314 PolarHBondContact O-N 2.93Å; S311-T315 PolarHBondContact OG-N 2.98Å; S311-I316 PolarHBondContact N-O 2.88Å; S311-I316 VanDerWaalsContact N-O 3.08Å; S311-I316 WeakPolarHBondContact OG-CB 3.27Å; S311-I316 PolarHBondContact OG-N 3.41Å
312	D	92.3	Very high	90.5	Very high	175 Å²	175	50 Å²	50	94%	0.936	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.8	176.9	-61.7	-22.3	0	0	0	112.6	S314	D312-S314 PolarHBondContact O-N 3.47Å
313	D	92.3	Very high	89	Confident	64 Å²	64	55.2 Å²	55.2	34%	0.342	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	1.3	176.1	71.8	-2.3	0	0	0	113.8	S311 T315 R474	S311-D313 WeakPolarHBondContact CB-OD1 3.46Å; S311-D313 PolarHBondContact O-N 3.19Å; S311-D313 PolarHBondContact OG-OD1 3.33Å; D313-T315 HydrophobicContact CB-CG2 4.46Å; D313-T315 WeakPolarHBondContact O-CG2 3.45Å; D313-T315 PolarHBondContact O-N 3.35Å; D313-T315 PolarHBondContact OD1-N 2.87Å; D313-T315 VanDerWaalsContact OD1-N 3.17Å; D313-T315 PolarHBondContact OD1-OG1 2.94Å; D313-T315 PolarHBondContact OD2-OG1 3.48Å; D313-R474 IonicContact OD2-NH2 3.89Å; D313-R474 PolarHBondContact OD2-NH2 3.13Å
314	S	94.5	Very high	87.7	Confident	24 Å²	24	57.8 Å²	57.8	17%	0.168	30%	0.301	C	S	.	.	S	Bend	trans	54.7	30.4	-179.8	-59.4	0	0	0	0	114.2	T298 L299 S311 D312	T298-S314 CarbonylContact C-O 3.53Å; T298-S314 WeakPolarHBondContact CA-O 3.48Å; L299-S314 WeakPolarHBondContact CB-O 3.22Å; L299-S314 WeakPolarHBondContact CG-O 3.41Å; L299-S314 PolarHBondContact N-O 2.78Å; S311-S314 WeakPolarHBondContact O-CA 3.33Å; S311-S314 PolarHBondContact O-N 2.93Å; D312-S314 PolarHBondContact O-N 3.47Å
315	T	94.7	Very high	86.4	Confident	7 Å²	7	61 Å²	61	4%	0.043	32%	0.315	C	S	.	.			trans	-105.5	-11	176.6	67.3	0	0	0	0	113.7	S311 D313 I470 T472	S311-T315 PolarHBondContact OG-N 2.98Å; D313-T315 HydrophobicContact CB-CG2 4.46Å; D313-T315 WeakPolarHBondContact O-CG2 3.45Å; D313-T315 PolarHBondContact O-N 3.35Å; D313-T315 PolarHBondContact OD1-N 2.87Å; D313-T315 VanDerWaalsContact OD1-N 3.17Å; D313-T315 PolarHBondContact OD1-OG1 2.94Å; D313-T315 PolarHBondContact OD2-OG1 3.48Å; T315-I470 PolarHBondContact O-N 2.88Å; T315-T472 HydrophobicContact CG2-CG2 3.77Å
316	I	94.6	Very high	85.2	Confident	43 Å²	43	67.4 Å²	67.4	22%	0.221	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.1	-176.2	-53.4	-179.4	0	0	0	108.8	L310 S311 P467 L468 R469	L310-I316 VanDerWaalsContact CA-O 3.28Å; L310-I316 WeakPolarHBondContact CA-O 3.37Å; S311-I316 PolarHBondContact N-O 2.88Å; S311-I316 VanDerWaalsContact N-O 3.08Å; S311-I316 WeakPolarHBondContact OG-CB 3.27Å; S311-I316 PolarHBondContact OG-N 3.41Å; I316-P467 HydrophobicContact CG2-CB 3.33Å; I316-P467 HydrophobicContact CG2-CG 3.71Å; I316-L468 WeakPolarHBondContact CA-O 3.26Å; I316-R469 HydrophobicContact CD1-CG 4.43Å; I316-R469 HydrophobicContact CG1-CB 4.33Å; I316-R469 HydrophobicContact CG1-CG 3.94Å
317	V	94.9	Very high	84.3	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.012	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	126.2	172.1	59.6	0	0	0	0	111.8	L299 L308 I309 L310 V340 P455 P467 L468	L299-V317 HydrophobicContact CD1-CB 3.59Å; L299-V317 HydrophobicContact CD1-CG1 3.83Å; L308-V317 HydrophobicContact CB-CG2 4.01Å; L308-V317 HydrophobicContact CD1-CG2 3.98Å; L308-V317 HydrophobicContact CD2-CG2 3.97Å; L308-V317 HydrophobicContact CG-CG2 4.21Å; I309-V317 WeakPolarHBondContact O-CA 3.34Å; L310-V317 HydrophobicContact CD1-CG2 4.1Å; V317-V340 HydrophobicContact CB-CG1 4.42Å; V317-V340 HydrophobicContact CG1-CG1 4.23Å; V317-V340 HydrophobicContact CG2-CG1 4.07Å; V317-P455 HydrophobicContact CG2-CG 4.29Å; V317-P467 CarbonylContact O-C 3.59Å; V317-P467 VanDerWaalsContact O-CA 3.26Å; V317-P467 WeakPolarHBondContact O-CA 3.49Å; V317-P467 WeakPolarHBondContact O-CB 3.38Å; V317-L468 HydrophobicContact CG1-CB 3.87Å; V317-L468 HydrophobicContact CG1-CD1 4.44Å; V317-L468 PolarHBondContact N-O 3Å; V317-L468 PolarHBondContact O-N 2.76Å
318	A	92.9	Very high	83.6	Confident	21 Å²	21	70.4 Å²	70.4	17%	0.174	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	158.8	174	0	0	0	0	0	111	L308 I309 P467	L308-A318 WeakPolarHBondContact CA-O 3.43Å; I309-A318 PolarHBondContact N-O 2.85Å; I309-A318 PolarHBondContact O-N 2.8Å; A318-P467 HydrophobicContact CB-CB 4.01Å
319	Y	91.5	Very high	83	Confident	22 Å²	22	76 Å²	76	9%	0.086	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	126.8	163.5	-175.7	-97.3	0	0	0	109.6	R307 V338 Q457 S458	R307-Y319 HydrophobicContact CB-CD2 4.21Å; R307-Y319 HydrophobicContact CB-CE2 3.75Å; R307-Y319 VanDerWaalsContact CD-OH 3.25Å; R307-Y319 WeakPolarHBondContact CD-OH 3.2Å; R307-Y319 HydrophobicContact CG-CE2 4.46Å; R307-Y319 PolarHBondContact NH1-OH 3.32Å; Y319-V338 HydrophobicContact CD2-CG1 3.42Å; Y319-V338 VanDerWaalsContact CD2-CG1 3.42Å; Y319-V338 HydrophobicContact CE2-CG1 3.81Å; Y319-V338 HydrophobicContact CE2-CG2 4.2Å; Y319-Q457 HydrophobicContact CE2-CG 4.22Å; Y319-S458 WeakPolarHBondContact CD1-OG 3.24Å
320	G	84.9	Confident	82.6	Confident	7 Å²	7	73.2 Å²	73.2	7%	0.072	40%	0.396	C	S	.	.			trans	-80.8	133.3	178.1	0	0	0	0	0	112.2	R307	R307-G320 WeakPolarHBondContact O-CA 3.25Å; R307-G320 PolarHBondContact O-N 3.46Å
321	N	70.1	Confident	82.4	Confident	112 Å²	112	77 Å²	77	60%	0.599	42%	0.422	S	S	*	.	S	Bend	trans	-87.7	-5.3	178	-64.6	-21.4	0	0	0	113.6	S458	N321-S458 WeakPolarHBondContact OD1-CB 3.43Å
322	L	65.6	Low	82.2	Confident	153 Å²	153	81.1 Å²	81.1	80%	0.801	43%	0.433	S	S	*	.	S	Bend	trans	-99	176.2	-179.6	-64.6	173.1	0	0	0	111.3
323	H	62.7	Low	82.3	Confident	176 Å²	176	73.8 Å²	73.8	82%	0.815	39%	0.392	S	S	*	.	S	Bend	trans	-50.6	150.4	175.8	-70.2	-64.6	0	0	0	112.3	Q325	H323-Q325 PolarHBondContact O-N 3Å
324	P	67.9	Low	82.4	Confident	56 Å²	56	70.7 Å²	70.7	36%	0.364	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-48.6	137.3	177.5	-24.9	33.1	0	0	0	111.1	Q306	Q306-P324 HydrophobicContact CB-CB 4.27Å; Q306-P324 HydrophobicContact CG-CB 4.13Å
325	Q	67.8	Low	82.2	Confident	72 Å²	72	72.4 Å²	72.4	34%	0.336	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-60.6	142.5	176.7	-65.2	-164.9	15.4	0	0	109.5	Q306 L308 H323 L327	Q306-Q325 PolarHBondContact O-N 3.5Å; Q306-Q325 VanDerWaalsContact O-N 3.1Å; L308-Q325 PolarHBondContact O-NE2 3.49Å; H323-Q325 PolarHBondContact O-N 3Å; Q325-L327 HydrophobicContact CB-CD1 3.87Å; Q325-L327 HydrophobicContact CB-CG 3.72Å; Q325-L327 PolarHBondContact O-N 2.84Å
326	P	68.4	Low	81.9	Confident	142 Å²	142	76.1 Å²	76.1	92%	0.922	41%	0.405	S	S	*	.			trans	-75.4	57.3	179	33.8	-36.2	0	0	0	110.6
327	L	72.3	Confident	81.8	Confident	78 Å²	78	76.3 Å²	76.3	41%	0.408	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-87.2	140.9	-179.8	-65	170.9	0	0	0	109.6	Q325 D329	Q325-L327 HydrophobicContact CB-CD1 3.87Å; Q325-L327 HydrophobicContact CB-CG 3.72Å; Q325-L327 PolarHBondContact O-N 2.84Å; L327-D329 PolarHBondContact O-N 2.73Å
328	Q	74.9	Confident	81.7	Confident	176 Å²	176	76.6 Å²	76.6	82%	0.822	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-61.9	132.5	171	-168.8	175.9	-6.1	0	0	109.6	R333	Q328-R333 PolarHBondContact O-NH2 2.85Å
329	D	79.5	Confident	81.9	Confident	122 Å²	122	75.6 Å²	75.6	65%	0.652	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-66.2	146.5	177.2	-169.6	22.3	0	0	0	110.6	L327 K375	L327-D329 PolarHBondContact O-N 2.73Å; D329-K375 IonicContact OD1-NZ 3.37Å
330	S	85.3	Confident	82.1	Confident	19 Å²	19	74.6 Å²	74.6	13%	0.133	40%	0.395	C	S	.	.			trans	-141.7	138.7	-177.4	172.1	0	0	0	0	109.2	R332 R333 K375	S330-R332 PolarHBondContact O-N 3.02Å; S330-R332 VanDerWaalsContact O-N 3.08Å; S330-R332 PolarHBondContact OG-N 3.05Å; S330-R333 VanDerWaalsContact O-CB 3.29Å; S330-R333 WeakPolarHBondContact O-CB 3.05Å; S330-R333 PolarHBondContact O-N 2.9Å; S330-K375 PolarHBondContact O-NZ 3.45Å
331	P	88.2	Confident	82.7	Confident	115 Å²	115	74.4 Å²	74.4	75%	0.747	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.9	170.9	-25.2	34.1	0	0	0	112.8	R333	P331-R333 VanDerWaalsContact C-N 3.3Å; P331-R333 PolarHBondContact O-N 3.28Å
332	R	91.8	Very high	84	Confident	118 Å²	118	69.1 Å²	69.1	45%	0.445	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11	178.9	-70.5	-167.1	-69.3	164.8	-5.5	114.1	I302 T303 S330 R374	I302-R332 HydrophobicContact CG2-CB 4.23Å; T303-R332 WeakPolarHBondContact CA-O 3.16Å; S330-R332 PolarHBondContact O-N 3.02Å; S330-R332 VanDerWaalsContact O-N 3.08Å; S330-R332 PolarHBondContact OG-N 3.05Å; R332-R374 WeakPolarHBondContact O-CD 3.24Å; R332-R374 PolarHBondContact O-NH1 2.99Å
333	R	93.9	Very high	85.5	Confident	20 Å²	20	64 Å²	64	8%	0.075	34%	0.344	C	S	.	.	S	Bend	trans	-86.2	137.7	-175.9	-164	-176	-64.9	-69.1	-1	111.9	P301 T303 A304 Q328 S330 P331 K375	P301-R333 PolarHBondContact O-NH1 3.27Å; T303-R333 WeakPolarHBondContact O-CA 3.15Å; A304-R333 WeakPolarHBondContact O-CD 3.29Å; A304-R333 WeakPolarHBondContact O-CG 3.45Å; A304-R333 PolarHBondContact O-NH1 2.81Å; Q328-R333 PolarHBondContact O-NH2 2.85Å; S330-R333 VanDerWaalsContact O-CB 3.29Å; S330-R333 WeakPolarHBondContact O-CB 3.05Å; S330-R333 PolarHBondContact O-N 2.9Å; P331-R333 VanDerWaalsContact C-N 3.3Å; P331-R333 PolarHBondContact O-N 3.28Å; R333-K375 WeakPolarHBondContact O-CE 3.36Å; R333-K375 PolarHBondContact O-NZ 3.44Å
334	F	93.9	Very high	87	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.333	C	S	.	.			trans	-69	128.2	165.4	-66.2	-78	0	0	0	111.1	T303 H305 E337 S339 L341 R374 I378 Y452	T303-F334 WeakPolarHBondContact O-CD2 3.29Å; T303-F334 PolarHBondContact O-N 2.73Å; H305-F334 WeakPolarHBondContact CA-O 3.36Å; H305-F334 HydrophobicContact CB-CB 4.26Å; H305-F334 PolarHBondContact CD2-O 3.11Å; F334-E337 VanDerWaalsContact CB-O 3.25Å; F334-E337 WeakPolarHBondContact CB-O 3.22Å; F334-E337 HydrophobicContact CD1-CB 4.21Å; F334-S339 WeakPolarHBondContact CD2-O 3.43Å; F334-L341 HydrophobicContact CE2-CD2 4.15Å; F334-L341 HydrophobicContact CE2-CG 3.97Å; F334-L341 HydrophobicContact CZ-CD2 4.21Å; F334-L341 HydrophobicContact CZ-CG 4.37Å; F334-R374 WeakPolarHBondContact CA-O 3.43Å; F334-R374 HydrophobicContact CD1-CB 4.02Å; F334-R374 HydrophobicContact CD1-CG 4.48Å; F334-R374 HydrophobicContact CE1-CB 4.15Å; F334-R374 HydrophobicContact CE1-CG 4.13Å; F334-R374 HydrophobicContact CZ-CG 4.45Å; F334-I378 HydrophobicContact CD1-CD1 3.64Å; F334-I378 HydrophobicContact CE1-CD1 3.82Å; F334-Y452 HydrophobicContact CE2-CE2 4.49Å; F334-Y452 HydrophobicContact CZ-CD2 4.49Å; F334-Y452 HydrophobicContact CZ-CE2 4.07Å
335	D	89.6	Confident	88.3	Confident	60 Å²	60	59.6 Å²	59.6	32%	0.321	32%	0.324	S	S	.	.	S	Bend	trans	-97.9	-36.4	-175.6	63.1	-11.7	0	0	0	114	H305 R374 K375 G376	H305-D335 PolarHBondContact CD2-O 3.39Å; H305-D335 VanDerWaalsContact CD2-O 3.3Å; H305-D335 PolarHBondContact NE2-O 3.36Å; H305-D335 VanDerWaalsContact NE2-O 3.12Å; D335-R374 PolarHBondContact N-O 3.48Å; D335-K375 HydrophobicContact CB-CD 3.97Å; D335-K375 VanDerWaalsContact OD1-CA 3.23Å; D335-K375 WeakPolarHBondContact OD1-CA 3.36Å; D335-K375 WeakPolarHBondContact OD2-CA 3.38Å; D335-K375 WeakPolarHBondContact OD2-CD 3.3Å; D335-G376 PolarHBondContact OD1-N 3.2Å; D335-G376 PolarHBondContact OD2-N 3.17Å
336	V	89.3	Confident	89.7	Confident	84 Å²	84	57 Å²	57	51%	0.509	31%	0.311	S	S	.	.	S	Bend	trans	-112.2	-45.4	-179.1	176.2	0	0	0	0	110.6	G376	V336-G376 WeakPolarHBondContact CB-O 3.46Å
337	E	92	Very high	91	Very high	48 Å²	48	54.3 Å²	54.3	22%	0.224	29%	0.292	C	S	.	.	S	Bend	trans	-74.9	129.2	-176.7	-170.9	54.6	-136.1	0	0	110.5	H305 F334 S339 I378	H305-E337 VanDerWaalsContact CB-O 3.32Å; H305-E337 WeakPolarHBondContact CB-O 3.36Å; F334-E337 VanDerWaalsContact CB-O 3.25Å; F334-E337 WeakPolarHBondContact CB-O 3.22Å; F334-E337 HydrophobicContact CD1-CB 4.21Å; E337-S339 WeakPolarHBondContact CG-OG 3.18Å; E337-S339 PolarHBondContact O-N 3.46Å; E337-I378 HydrophobicContact CB-CD1 3.93Å
338	V	93.3	Very high	92.1	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	30%	0.297	C	S	.	.			trans	-85	66.2	-171.3	-177.3	0	0	0	0	109.7	L308 Y319 S454 Q457	L308-V338 HydrophobicContact CD2-CG1 3.63Å; L308-V338 HydrophobicContact CG-CG1 4.33Å; Y319-V338 HydrophobicContact CD2-CG1 3.42Å; Y319-V338 VanDerWaalsContact CD2-CG1 3.42Å; Y319-V338 HydrophobicContact CE2-CG1 3.81Å; Y319-V338 HydrophobicContact CE2-CG2 4.2Å; V338-S454 PolarHBondContact O-OG 3.01Å; V338-Q457 HydrophobicContact CG2-CG 4.05Å
339	S	96.2	Very high	92.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.273	C	S	.	.			trans	-140.2	165.6	-167.2	-61.1	0	0	0	0	113.4	H305 L308 F334 E337 Y452 F453 S454	H305-S339 PolarHBondContact N-O 2.75Å; L308-S339 VanDerWaalsContact CD1-C 3.48Å; L308-S339 VanDerWaalsContact CD1-O 3.31Å; L308-S339 WeakPolarHBondContact CD1-O 3.3Å; F334-S339 WeakPolarHBondContact CD2-O 3.43Å; E337-S339 WeakPolarHBondContact CG-OG 3.18Å; E337-S339 PolarHBondContact O-N 3.46Å; S339-Y452 WeakPolarHBondContact CB-OH 3.46Å; S339-Y452 VanDerWaalsContact OG-CZ 3.29Å; S339-Y452 PolarHBondContact OG-OH 2.86Å; S339-F453 CarbonylContact C-O 3.55Å; S339-F453 VanDerWaalsContact CA-O 3.3Å; S339-F453 WeakPolarHBondContact CA-O 3.41Å; S339-F453 WeakPolarHBondContact CB-O 3.46Å; S339-S454 VanDerWaalsContact OG-CB 3.24Å; S339-S454 WeakPolarHBondContact OG-CB 3.15Å; S339-S454 PolarHBondContact OG-OG 2.78Å
340	V	97.3	Very high	93.6	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	147.7	-179.9	60.4	0	0	0	0	109.6	L299 D300 A304 L308 V317 F453	L299-V340 HydrophobicContact CB-CG2 4.17Å; L299-V340 HydrophobicContact CD1-CG1 4.43Å; L299-V340 HydrophobicContact CD2-CG1 3.98Å; D300-V340 WeakPolarHBondContact O-CG2 3.26Å; A304-V340 HydrophobicContact CB-CB 4Å; A304-V340 HydrophobicContact CB-CG2 3.68Å; L308-V340 HydrophobicContact CD1-CB 3.97Å; L308-V340 HydrophobicContact CD1-CG1 4.19Å; V317-V340 HydrophobicContact CB-CG1 4.42Å; V317-V340 HydrophobicContact CG1-CG1 4.23Å; V317-V340 HydrophobicContact CG2-CG1 4.07Å; V340-F453 HydrophobicContact CG1-CB 4.05Å; V340-F453 PolarHBondContact N-O 3.47Å; V340-F453 PolarHBondContact O-N 2.98Å
341	L	97.9	Very high	94.1	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	158.2	173.5	-59.4	-178.8	0	0	0	111.2	D300 T303 F334 A368 F450 P451 Y452	D300-L341 PolarHBondContact N-O 3.28Å; T303-L341 HydrophobicContact CG2-CB 4.17Å; T303-L341 HydrophobicContact CG2-CD1 4.21Å; T303-L341 HydrophobicContact CG2-CG 4.37Å; T303-L341 PolarHBondContact OG1-N 2.82Å; F334-L341 HydrophobicContact CE2-CD2 4.15Å; F334-L341 HydrophobicContact CE2-CG 3.97Å; F334-L341 HydrophobicContact CZ-CD2 4.21Å; F334-L341 HydrophobicContact CZ-CG 4.37Å; L341-A368 HydrophobicContact CD2-CB 4.08Å; L341-F450 HydrophobicContact CB-CB 4.19Å; L341-F450 HydrophobicContact CD1-CB 4.26Å; L341-F450 HydrophobicContact CD1-CG 4.42Å; L341-F450 HydrophobicContact CD2-CB 4.29Å; L341-F450 HydrophobicContact CG-CB 4.48Å; L341-P451 CarbonylContact C-O 3.49Å; L341-P451 VanDerWaalsContact CA-O 3.31Å; L341-P451 WeakPolarHBondContact CA-O 3.25Å; L341-Y452 HydrophobicContact CD2-CD2 3.81Å
342	G	97.3	Very high	94.4	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.021	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-63.2	150.6	162.8	0	0	0	0	0	111.6	T298 E344 F450 P451	T298-G342 CarbonylContact O-C 3.55Å; T298-G342 VanDerWaalsContact O-CA 3.31Å; T298-G342 WeakPolarHBondContact O-CA 3.43Å; G342-E344 VanDerWaalsContact C-N 3.35Å; G342-F450 WeakPolarHBondContact O-CD1 3.16Å; G342-P451 PolarHBondContact N-O 3.16Å
343	A	96.1	Very high	94.6	Very high	45 Å²	45	35.4 Å²	35.4	37%	0.372	21%	0.21	S	C	.	.	S	Bend	trans	-67.7	-36.5	175.3	0	0	0	0	0	112.3	T298 D300	T298-A343 PolarHBondContact O-N 3.26Å; D300-A343 HydrophobicContact CB-CB 4.38Å
344	E	95	Very high	94.7	Very high	124 Å²	124	35.2 Å²	35.2	58%	0.579	21%	0.21	S	C	*	.	S	Bend	trans	-96.4	139.2	175.5	-64	-174.6	-177.7	0	0	110.9	G342 P451	G342-E344 VanDerWaalsContact C-N 3.35Å; E344-P451 VanDerWaalsContact O-CD 3.25Å; E344-P451 WeakPolarHBondContact O-CD 3.45Å
345	G	95.6	Very high	94.8	Very high	16 Å²	16	35.2 Å²	35.2	17%	0.165	21%	0.21	C	C	.	.			trans	-124.6	154.6	172.2	0	0	0	0	0	110.6	K448 V449	G345-K448 VanDerWaalsContact CA-CE 3.46Å; G345-K448 WeakPolarHBondContact O-CE 3.32Å; G345-V449 CarbonylContact C-O 3.54Å; G345-V449 WeakPolarHBondContact CA-O 3.09Å
346	F	96	Very high	95.1	Very high	16 Å²	16	35.4 Å²	35.4	7%	0.07	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-110	135.9	-168.4	-49.4	-62.6	0	0	0	111.4	L297 H351 W353 L420 Y422 K448 V449 P451	L297-F346 HydrophobicContact CD2-CZ 3.97Å; F346-H351 AromaticContact CD1-CD2 3.65Å; F346-H351 AromaticContact CD1-CE1 3.38Å; F346-H351 WeakPolarHBondContact CD1-CE1 3.25Å; F346-H351 AromaticContact CD1-CG 3.72Å; F346-H351 AromaticContact CD1-ND1 3.58Å; F346-H351 AromaticContact CD1-NE2 3.42Å; F346-H351 WeakPolarHBondContact CD1-NE2 3.27Å; F346-H351 HydrophobicContact CE1-CB 4.44Å; F346-H351 AromaticContact CE1-CE1 3.72Å; F346-H351 AromaticContact CE1-CG 3.78Å; F346-H351 AromaticContact CE1-ND1 3.49Å; F346-H351 WeakPolarHBondContact CE1-ND1 3.39Å; F346-H351 HydrophobicContact CE2-CB 4.39Å; F346-H351 AromaticContact CG-CD2 3.65Å; F346-H351 AromaticContact CG-CG 4Å; F346-H351 AromaticContact CG-NE2 3.76Å; F346-H351 HydrophobicContact CZ-CB 4.29Å; F346-W353 HydrophobicContact CE2-CE3 4.48Å; F346-W353 HydrophobicContact CE2-CH2 4.25Å; F346-W353 AromaticContact CE2-CZ3 3.85Å; F346-W353 HydrophobicContact CE2-CZ3 3.85Å; F346-L420 HydrophobicContact CB-CD2 4.03Å; F346-L420 HydrophobicContact CD2-CD2 3.7Å; F346-L420 HydrophobicContact CG-CD2 4.18Å; F346-Y422 WeakPolarHBondContact O-CE2 3.38Å; F346-K448 WeakPolarHBondContact O-CA 3.25Å; F346-V449 HydrophobicContact CB-CG2 4.19Å; F346-V449 HydrophobicContact CD2-CG2 4.5Å; F346-V449 PolarHBondContact N-O 2.97Å; F346-V449 PolarHBondContact O-N 3.48Å; F346-P451 HydrophobicContact CE2-CG 3.71Å; F346-P451 HydrophobicContact CZ-CG 4.28Å
347	V	96.1	Very high	95.4	Very high	86 Å²	86	31.4 Å²	31.4	52%	0.521	19%	0.185	S	C	.	.	S	Bend	trans	-120.3	-6.9	174.7	-64.3	0	0	0	0	112.7	Y422 K448	V347-Y422 WeakPolarHBondContact O-CD1 3.49Å; V347-Y422 WeakPolarHBondContact O-CE1 3.1Å; V347-K448 HydrophobicContact CG1-CB 3.63Å; V347-K448 HydrophobicContact CG1-CD 4.05Å; V347-K448 HydrophobicContact CG1-CG 3.68Å
348	S	94.6	Very high	95.1	Very high	75 Å²	75	31.5 Å²	31.5	52%	0.524	19%	0.191	S	C	.	.	S	Bend	trans	-167.3	169.7	-177.5	61.3	0	0	0	0	110.4	H351	S348-H351 PolarHBondContact O-NE2 2.86Å
349	G	92.8	Very high	94.8	Very high	29 Å²	29	37 Å²	37	30%	0.299	22%	0.216	S	C	.	.	S	Bend	trans	87	-175.9	172.1	0	0	0	0	0	114.7	Y422 P423	G349-Y422 WeakPolarHBondContact O-CB 3.28Å; G349-Y422 PolarHBondContact O-N 2.89Å; G349-Y422 VanDerWaalsContact O-N 3.09Å; G349-P423 WeakPolarHBondContact O-CD 3.29Å
350	V	93.9	Very high	94.6	Very high	57 Å²	57	37.1 Å²	37.1	35%	0.345	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.7	179.9	-174.3	0	0	0	0	108.2	P292 F419 L420 D421	P292-V350 HydrophobicContact CG-CG1 3.99Å; V350-F419 HydrophobicContact CG1-CD2 4.33Å; V350-F419 HydrophobicContact CG1-CE1 4.36Å; V350-F419 HydrophobicContact CG1-CE2 3.37Å; V350-F419 HydrophobicContact CG1-CZ 3.38Å; V350-L420 CarbonylContact C-O 3.54Å; V350-L420 VanDerWaalsContact CA-O 3.27Å; V350-L420 WeakPolarHBondContact CA-O 3.34Å; V350-D421 HydrophobicContact CG1-CB 4.49Å; V350-D421 HydrophobicContact CG2-CB 4.42Å
351	H	94.8	Very high	94.3	Very high	50 Å²	50	38.9 Å²	38.9	23%	0.231	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.3	-172.9	-55.8	-78.6	0	0	0	110.2	F346 S348 W353 F419 L420	F346-H351 AromaticContact CD1-CD2 3.65Å; F346-H351 AromaticContact CD1-CE1 3.38Å; F346-H351 WeakPolarHBondContact CD1-CE1 3.25Å; F346-H351 AromaticContact CD1-CG 3.72Å; F346-H351 AromaticContact CD1-ND1 3.58Å; F346-H351 AromaticContact CD1-NE2 3.42Å; F346-H351 WeakPolarHBondContact CD1-NE2 3.27Å; F346-H351 HydrophobicContact CE1-CB 4.44Å; F346-H351 AromaticContact CE1-CE1 3.72Å; F346-H351 AromaticContact CE1-CG 3.78Å; F346-H351 AromaticContact CE1-ND1 3.49Å; F346-H351 WeakPolarHBondContact CE1-ND1 3.39Å; F346-H351 HydrophobicContact CE2-CB 4.39Å; F346-H351 AromaticContact CG-CD2 3.65Å; F346-H351 AromaticContact CG-CG 4Å; F346-H351 AromaticContact CG-NE2 3.76Å; F346-H351 HydrophobicContact CZ-CB 4.29Å; S348-H351 PolarHBondContact O-NE2 2.86Å; H351-W353 HydrophobicContact CB-CE3 4.49Å; H351-W353 HydrophobicContact CB-CZ3 4.22Å; H351-F419 CarbonylContact O-C 3.09Å; H351-F419 WeakPolarHBondContact O-CA 3.4Å; H351-L420 HydrophobicContact CB-CB 4.4Å; H351-L420 PolarHBondContact N-O 2.89Å; H351-L420 PolarHBondContact O-N 3.32Å
352	Y	95.3	Very high	94.2	Very high	18 Å²	18	41.6 Å²	41.6	7%	0.071	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	138.6	174.2	-179.5	-118.5	0	0	0	109.2	P294 G295 E354 V418 F419	P294-Y352 CarbonylContact C-O 3.56Å; P294-Y352 WeakPolarHBondContact CA-O 3.49Å; P294-Y352 HydrophobicContact CB-CD1 4.36Å; P294-Y352 HydrophobicContact CG-CD1 3.8Å; P294-Y352 HydrophobicContact CG-CE1 3.68Å; G295-Y352 PolarHBondContact N-O 2.96Å; Y352-E354 HydrophobicContact CE1-CG 3.78Å; Y352-E354 WeakPolarHBondContact CE1-OE1 3.45Å; Y352-E354 WeakPolarHBondContact OH-CG 3.01Å; Y352-E354 PolarHBondContact OH-OE1 3.4Å; Y352-V418 CarbonylContact C-O 3.52Å; Y352-V418 VanDerWaalsContact CA-O 3.29Å; Y352-V418 WeakPolarHBondContact CA-O 3.45Å; Y352-V418 VanDerWaalsContact CD2-O 3.26Å; Y352-V418 WeakPolarHBondContact CD2-O 3.35Å; Y352-F419 HydrophobicContact CD2-CB 3.94Å; Y352-F419 HydrophobicContact CD2-CD2 4.39Å
353	W	95.6	Very high	94.1	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	161.2	171.1	64.4	96.1	0	0	0	110.3	L297 F346 H351 V367 V418 L420 P451	L297-W353 HydrophobicContact CD1-CB 3.46Å; L297-W353 VanDerWaalsContact CD1-CB 3.46Å; L297-W353 HydrophobicContact CD1-CD2 3.49Å; L297-W353 VanDerWaalsContact CD1-CD2 3.49Å; L297-W353 HydrophobicContact CD1-CE3 4.06Å; L297-W353 HydrophobicContact CD1-CG 3.21Å; L297-W353 HydrophobicContact CG-CB 4.03Å; L297-W353 HydrophobicContact CG-CG 4.29Å; F346-W353 HydrophobicContact CE2-CE3 4.48Å; F346-W353 HydrophobicContact CE2-CH2 4.25Å; F346-W353 AromaticContact CE2-CZ3 3.85Å; F346-W353 HydrophobicContact CE2-CZ3 3.85Å; H351-W353 HydrophobicContact CB-CE3 4.49Å; H351-W353 HydrophobicContact CB-CZ3 4.22Å; W353-V367 HydrophobicContact CH2-CG1 3.59Å; W353-V367 HydrophobicContact CZ2-CG1 3.85Å; W353-V418 HydrophobicContact CD2-CB 3.92Å; W353-V418 HydrophobicContact CD2-CG1 4.39Å; W353-V418 VanDerWaalsContact CE2-CB 3.48Å; W353-V418 HydrophobicContact CE3-CB 4.47Å; W353-V418 HydrophobicContact CG-CB 4.38Å; W353-V418 HydrophobicContact CH2-CB 4.24Å; W353-V418 HydrophobicContact CH2-CG1 3.64Å; W353-V418 HydrophobicContact CZ2-CB 3.68Å; W353-V418 HydrophobicContact CZ2-CG1 3.31Å; W353-V418 HydrophobicContact CZ2-CG2 4.3Å; W353-V418 HydrophobicContact CZ3-CG1 4.31Å; W353-V418 PolarHBondContact N-O 2.91Å; W353-V418 PolarHBondContact O-N 3.2Å; W353-L420 HydrophobicContact CH2-CB 4.49Å; W353-L420 HydrophobicContact CZ3-CB 4.23Å; W353-P451 HydrophobicContact CH2-CG 4.29Å; W353-P451 HydrophobicContact CZ2-CB 3.96Å; W353-P451 HydrophobicContact CZ2-CG 4.08Å
354	E	96	Very high	94.2	Very high	17 Å²	17	40.3 Å²	40.3	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.8	-178.5	-63.3	178.2	172.9	0	0	111.2	P294 Y352 K415 V416 A432 N471	P294-E354 HydrophobicContact CB-CG 4.4Å; P294-E354 HydrophobicContact CG-CG 4.19Å; Y352-E354 HydrophobicContact CE1-CG 3.78Å; Y352-E354 WeakPolarHBondContact CE1-OE1 3.45Å; Y352-E354 WeakPolarHBondContact OH-CG 3.01Å; Y352-E354 PolarHBondContact OH-OE1 3.4Å; E354-K415 HydrophobicContact CB-CD 3.62Å; E354-K415 HydrophobicContact CB-CG 4.07Å; E354-K415 HydrophobicContact CG-CD 4.1Å; E354-K415 WeakPolarHBondContact OE2-CD 3.42Å; E354-K415 IonicContact OE2-NZ 2.76Å; E354-K415 PolarHBondContact OE2-NZ 3.24Å; E354-V416 CarbonylContact C-O 3.58Å; E354-V416 VanDerWaalsContact CA-O 3.29Å; E354-V416 WeakPolarHBondContact CA-O 3.35Å; E354-A432 HydrophobicContact CG-CB 3.93Å; E354-N471 HydrophobicContact CB-CB 3.87Å; E354-N471 PolarHBondContact O-N 2.69Å; E354-N471 PolarHBondContact OE2-ND2 3.45Å
355	V	96.3	Very high	94.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.5	-178.8	-170	0	0	0	0	109.2	V357 I365 K415 V416 F453 L468 R469	V355-V357 HydrophobicContact CG1-CG1 4.41Å; V355-I365 HydrophobicContact CB-CD1 3.8Å; V355-I365 HydrophobicContact CG1-CD1 3.77Å; V355-I365 HydrophobicContact CG1-CG1 4.47Å; V355-I365 HydrophobicContact CG2-CD1 4.25Å; V355-I365 HydrophobicContact CG2-CG2 4.12Å; V355-K415 WeakPolarHBondContact O-CA 3.02Å; V355-K415 WeakPolarHBondContact O-CG 3.47Å; V355-V416 PolarHBondContact N-O 3.38Å; V355-V416 PolarHBondContact O-N 3.43Å; V355-F453 HydrophobicContact CG2-CD1 4.18Å; V355-F453 HydrophobicContact CG2-CE1 3.66Å; V355-L468 HydrophobicContact CG1-CB 4.25Å; V355-L468 HydrophobicContact CG1-CD2 4.08Å; V355-R469 CarbonylContact C-O 3.56Å; V355-R469 WeakPolarHBondContact CA-O 3.42Å
356	M	96	Very high	94.4	Very high	63 Å²	63	33.6 Å²	33.6	31%	0.31	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	131	174.1	-62	-165.9	-72.2	0	0	110.5	K415 R469 N471	M356-K415 HydrophobicContact CG-CG 4.26Å; M356-R469 HydrophobicContact CB-CB 4.37Å; M356-R469 HydrophobicContact CE-CB 3.86Å; M356-R469 HydrophobicContact CE-CG 3.46Å; M356-R469 VanDerWaalsContact CE-CG 3.46Å; M356-R469 PolarHBondContact N-O 3.13Å; M356-R469 PolarHBondContact O-N 2.77Å; M356-N471 HydrophobicContact CG-CB 4.47Å
357	V	95.1	Very high	94.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	19%	0.187	C	C	.	.			trans	-135.8	-5.2	-171.6	-66.2	0	0	0	0	114.2	V355 E359 K360 W363 I365 L413 E414 V416 L468	V355-V357 HydrophobicContact CG1-CG1 4.41Å; V357-E359 VanDerWaalsContact C-N 3.28Å; V357-E359 PolarHBondContact O-N 3.34Å; V357-E359 VanDerWaalsContact O-N 3.08Å; V357-K360 WeakPolarHBondContact O-CB 3.34Å; V357-K360 PolarHBondContact O-N 2.79Å; V357-W363 HydrophobicContact CB-CD2 4.45Å; V357-W363 HydrophobicContact CB-CZ2 4.2Å; V357-W363 HydrophobicContact CG1-CD2 3.97Å; V357-W363 HydrophobicContact CG1-CG 4.2Å; V357-W363 HydrophobicContact CG1-CZ2 4.17Å; V357-W363 HydrophobicContact CG2-CZ2 4.03Å; V357-I365 HydrophobicContact CG1-CD1 3.51Å; V357-L413 HydrophobicContact CG2-CB 4.06Å; V357-L413 WeakPolarHBondContact CG2-O 3.13Å; V357-E414 WeakPolarHBondContact CG2-O 3.42Å; V357-E414 PolarHBondContact N-O 3.35Å; V357-V416 HydrophobicContact CG1-CG2 4.25Å; V357-V416 HydrophobicContact CG2-CG2 3.96Å; V357-L468 HydrophobicContact CG1-CD2 3.67Å
358	S	87.3	Confident	94.6	Very high	49 Å²	49	28.8 Å²	28.8	34%	0.343	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-40.9	-169.5	55.1	0	0	0	0	115.1	K360 K412 E414	S358-K360 VanDerWaalsContact C-N 3.33Å; S358-K360 PolarHBondContact O-N 3.39Å; S358-K412 WeakPolarHBondContact O-CE 3.49Å; S358-K412 PolarHBondContact O-NZ 2.87Å; S358-E414 PolarHBondContact N-O 3.3Å; S358-E414 VanDerWaalsContact N-O 3.12Å
359	E	85.7	Confident	94.7	Very high	124 Å²	124	26.1 Å²	26.1	58%	0.579	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	3.4	-172.8	-49.1	-172.4	121.8	0	0	114.1	V357 Q466	V357-E359 VanDerWaalsContact C-N 3.28Å; V357-E359 PolarHBondContact O-N 3.34Å; V357-E359 VanDerWaalsContact O-N 3.08Å; E359-Q466 HydrophobicContact CB-CB 3.65Å; E359-Q466 HydrophobicContact CB-CG 3.61Å; E359-Q466 HydrophobicContact CG-CG 4.47Å; E359-Q466 WeakPolarHBondContact OE2-CG 3.14Å
360	K	91.8	Very high	94.7	Very high	2 Å²	2	29 Å²	29	1%	0.009	15%	0.148	C	C	.	.			trans	-95.5	161.3	-176.1	-60.8	-169.4	66.5	50.5	0	111.9	V357 S358 Q362 W363 M391 K412 P455 N464 Q466 L468	V357-K360 WeakPolarHBondContact O-CB 3.34Å; V357-K360 PolarHBondContact O-N 2.79Å; S358-K360 VanDerWaalsContact C-N 3.33Å; S358-K360 PolarHBondContact O-N 3.39Å; K360-Q362 VanDerWaalsContact CE-O 3.28Å; K360-Q362 WeakPolarHBondContact CE-O 3.36Å; K360-W363 HydrophobicContact CD-CB 4.42Å; K360-M391 HydrophobicContact CB-CE 4.4Å; K360-M391 VanDerWaalsContact O-CE 3.24Å; K360-M391 WeakPolarHBondContact O-CE 3.38Å; K360-K412 WeakPolarHBondContact O-CE 3.44Å; K360-K412 PolarHBondContact O-NZ 3.27Å; K360-P455 WeakPolarHBondContact CE-O 3.2Å; K360-P455 PolarHBondContact NZ-O 3.35Å; K360-N464 WeakPolarHBondContact CB-OD1 3.43Å; K360-N464 PolarHBondContact NZ-OD1 2.63Å; K360-Q466 PolarHBondContact NZ-O 3.04Å; K360-L468 HydrophobicContact CD-CD2 3.44Å; K360-L468 VanDerWaalsContact CD-CD2 3.44Å; K360-L468 HydrophobicContact CD-CG 3.83Å
361	T	92.1	Very high	94.6	Very high	38 Å²	38	31.7 Å²	31.7	23%	0.233	17%	0.165	C	C	.	.	S	Bend	trans	-120.5	-10.4	172.7	60.8	0	0	0	0	112.9	M391 G394 N464	T361-M391 WeakPolarHBondContact O-CE 3.42Å; T361-G394 PolarHBondContact O-N 3.33Å; T361-N464 PolarHBondContact N-OD1 2.94Å; T361-N464 WeakPolarHBondContact OG1-CB 3.37Å
362	Q	94.1	Very high	94.6	Very high	60 Å²	60	29.8 Å²	29.8	28%	0.28	16%	0.156	S	C	.	.	S	Bend	trans	-149.9	138.1	171.6	-176	-179.2	10.6	0	0	109.9	K360 M391 N464	K360-Q362 VanDerWaalsContact CE-O 3.28Å; K360-Q362 WeakPolarHBondContact CE-O 3.36Å; Q362-M391 VanDerWaalsContact CA-O 3.27Å; Q362-M391 WeakPolarHBondContact CA-O 3.46Å; Q362-N464 PolarHBondContact N-OD1 3.2Å; Q362-N464 PolarHBondContact O-ND2 2.67Å; Q362-N464 VanDerWaalsContact O-ND2 3.12Å; Q362-N464 PolarHBondContact O-OD1 3.08Å; Q362-N464 VanDerWaalsContact O-OD1 3.07Å
363	W	96.4	Very high	94.4	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.011	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	163.1	172.9	48.6	-99.1	0	0	0	110.5	V357 K360 I365 I389 V390 M391 Y397 L413 V416 S454 L468	V357-W363 HydrophobicContact CB-CD2 4.45Å; V357-W363 HydrophobicContact CB-CZ2 4.2Å; V357-W363 HydrophobicContact CG1-CD2 3.97Å; V357-W363 HydrophobicContact CG1-CG 4.2Å; V357-W363 HydrophobicContact CG1-CZ2 4.17Å; V357-W363 HydrophobicContact CG2-CZ2 4.03Å; K360-W363 HydrophobicContact CD-CB 4.42Å; W363-I365 HydrophobicContact CD2-CD1 4.23Å; W363-I365 HydrophobicContact CE3-CB 4.35Å; W363-I365 HydrophobicContact CE3-CD1 3.67Å; W363-I365 HydrophobicContact CE3-CG1 3.84Å; W363-I365 HydrophobicContact CZ3-CB 4.36Å; W363-I365 HydrophobicContact CZ3-CD1 3.92Å; W363-I365 HydrophobicContact CZ3-CG1 4.25Å; W363-I389 HydrophobicContact CH2-CD1 4.21Å; W363-I389 HydrophobicContact CZ3-CD1 4.24Å; W363-I389 HydrophobicContact CZ3-CG1 4.1Å; W363-V390 WeakPolarHBondContact O-CA 3.31Å; W363-V390 WeakPolarHBondContact O-CG2 3.23Å; W363-M391 HydrophobicContact CD2-CB 3.81Å; W363-M391 HydrophobicContact CE3-CB 4.37Å; W363-M391 HydrophobicContact CG-CB 4.25Å; W363-M391 HydrophobicContact CG-CE 4.47Å; W363-M391 HydrophobicContact CH2-CB 4.19Å; W363-M391 HydrophobicContact CZ2-CB 3.63Å; W363-M391 HydrophobicContact CZ2-CG 4.45Å; W363-M391 HydrophobicContact CZ2-SD 4.18Å; W363-M391 PolarHBondContact N-O 3.2Å; W363-M391 PolarHBondContact NE1-SD 3.32Å; W363-M391 PolarHBondContact O-N 3.24Å; W363-Y397 HydrophobicContact CH2-CD1 4.23Å; W363-Y397 HydrophobicContact CH2-CE1 4.29Å; W363-Y397 HydrophobicContact CZ2-CD1 4.13Å; W363-Y397 AromaticContact CZ2-CE1 3.76Å; W363-Y397 HydrophobicContact CZ2-CE1 3.76Å; W363-L413 HydrophobicContact CH2-CD1 4.2Å; W363-L413 HydrophobicContact CZ2-CD1 4.24Å; W363-V416 HydrophobicContact CH2-CG2 3.56Å; W363-V416 HydrophobicContact CZ2-CG2 3.95Å; W363-V416 HydrophobicContact CZ3-CG2 4.2Å; W363-S454 CarbonylContact C-O 3.58Å; W363-S454 VanDerWaalsContact CA-O 3.24Å; W363-S454 WeakPolarHBondContact CA-O 3.3Å; W363-S454 WeakPolarHBondContact CB-O 3.47Å; W363-L468 HydrophobicContact CB-CD1 4.46Å; W363-L468 HydrophobicContact CB-CD2 4.02Å; W363-L468 HydrophobicContact CG-CD2 4.36Å
364	M	97.3	Very high	94.3	Very high	16 Å²	16	34.1 Å²	34.1	8%	0.079	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.6	171.6	-168.8	177.7	-79.6	0	0	110.4	I380 C388 I389 V390 Y452 S454	M364-I380 HydrophobicContact CE-CB 4.21Å; M364-I380 HydrophobicContact CE-CG1 4.27Å; M364-I380 HydrophobicContact CE-CG2 4.19Å; M364-I380 HydrophobicContact SD-CB 3.9Å; M364-I380 HydrophobicContact SD-CG1 3.8Å; M364-I380 HydrophobicContact SD-CG2 3.44Å; M364-I380 WeakPolarHBondContact SD-CG2 2.99Å; M364-C388 HydrophobicContact CG-CB 3.65Å; M364-C388 HydrophobicContact SD-CB 4.1Å; M364-I389 WeakPolarHBondContact CA-O 3.2Å; M364-V390 HydrophobicContact CB-CB 4.38Å; M364-V390 HydrophobicContact CB-CG2 4.01Å; M364-V390 HydrophobicContact CE-CB 3.82Å; M364-V390 HydrophobicContact CE-CG1 4.47Å; M364-V390 HydrophobicContact CE-CG2 3.56Å; M364-V390 HydrophobicContact CG-CB 4.14Å; M364-V390 HydrophobicContact CG-CG2 4.22Å; M364-Y452 HydrophobicContact CB-CE1 4.34Å; M364-Y452 HydrophobicContact CG-CE1 4.04Å; M364-Y452 HydrophobicContact SD-CE1 3.81Å; M364-S454 PolarHBondContact N-O 2.89Å; M364-S454 PolarHBondContact O-N 2.54Å
365	I	98.3	Very high	94.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.2	-176.9	-63.1	163.9	0	0	0	108.8	V355 V357 W363 C388 I389 V416 V418 Y452 L468	V355-I365 HydrophobicContact CB-CD1 3.8Å; V355-I365 HydrophobicContact CG1-CD1 3.77Å; V355-I365 HydrophobicContact CG1-CG1 4.47Å; V355-I365 HydrophobicContact CG2-CD1 4.25Å; V355-I365 HydrophobicContact CG2-CG2 4.12Å; V357-I365 HydrophobicContact CG1-CD1 3.51Å; W363-I365 HydrophobicContact CD2-CD1 4.23Å; W363-I365 HydrophobicContact CE3-CB 4.35Å; W363-I365 HydrophobicContact CE3-CD1 3.67Å; W363-I365 HydrophobicContact CE3-CG1 3.84Å; W363-I365 HydrophobicContact CZ3-CB 4.36Å; W363-I365 HydrophobicContact CZ3-CD1 3.92Å; W363-I365 HydrophobicContact CZ3-CG1 4.25Å; I365-C388 CarbonylContact O-C 2.99Å; I365-C388 VanDerWaalsContact O-CA 3.3Å; I365-C388 WeakPolarHBondContact O-CA 3.22Å; I365-C388 WeakPolarHBondContact O-CB 3.4Å; I365-I389 PolarHBondContact N-O 3.5Å; I365-I389 PolarHBondContact O-N 3.26Å; I365-V416 HydrophobicContact CD1-CB 4.22Å; I365-V416 HydrophobicContact CD1-CG2 4.29Å; I365-V418 HydrophobicContact CG2-CG2 3.73Å; I365-Y452 WeakPolarHBondContact CA-O 3.49Å; I365-L468 HydrophobicContact CD1-CD2 4.34Å
366	G	98	Very high	93.9	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-138.8	172.9	0	0	0	0	0	112.7	Y387 Y452	G366-Y387 VanDerWaalsContact CA-O 3.3Å; G366-Y387 WeakPolarHBondContact CA-O 3.26Å; G366-Y452 PolarHBondContact N-O 2.77Å; G366-Y452 PolarHBondContact O-N 3.09Å
367	V	98	Very high	93.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.3	172.1	-55.9	0	0	0	0	111.2	W353 Y387 L427 V449 F450	W353-V367 HydrophobicContact CH2-CG1 3.59Å; W353-V367 HydrophobicContact CZ2-CG1 3.85Å; V367-Y387 HydrophobicContact CG2-CD2 4.07Å; V367-Y387 HydrophobicContact CG2-CG 4.5Å; V367-Y387 PolarHBondContact N-O 3.25Å; V367-Y387 PolarHBondContact O-N 3.08Å; V367-L427 HydrophobicContact CG1-CD1 3.97Å; V367-L427 HydrophobicContact CG1-CD2 4.48Å; V367-L427 HydrophobicContact CG2-CD1 4.35Å; V367-L427 HydrophobicContact CG2-CD2 3.62Å; V367-V449 HydrophobicContact CB-CB 4.36Å; V367-V449 HydrophobicContact CG2-CB 4.47Å; V367-F450 CarbonylContact C-O 3.53Å; V367-F450 WeakPolarHBondContact CA-O 3.42Å; V367-F450 WeakPolarHBondContact CB-O 3.38Å
368	A	97.4	Very high	93.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.9	173.9	0	0	0	0	0	110.3	L341 V372 G385 F386 V449 F450 Y452	L341-A368 HydrophobicContact CD2-CB 4.08Å; A368-V372 HydrophobicContact CB-CG1 4.25Å; A368-V372 HydrophobicContact CB-CG2 4.19Å; A368-G385 CarbonylContact C-O 3.52Å; A368-G385 WeakPolarHBondContact CA-O 3.45Å; A368-F386 HydrophobicContact CB-CD1 3.63Å; A368-F386 HydrophobicContact CB-CE1 3.69Å; A368-V449 CarbonylContact O-C 3.41Å; A368-V449 WeakPolarHBondContact O-CA 3.32Å; A368-F450 PolarHBondContact N-O 3.13Å; A368-F450 PolarHBondContact O-N 2.67Å; A368-Y452 HydrophobicContact CB-CD2 4.1Å; A368-Y452 HydrophobicContact CB-CG 4.47Å
369	N	95.9	Very high	93.7	Very high	20 Å²	20	44.4 Å²	44.4	11%	0.107	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	151.3	171.3	-72.9	-20.2	0	0	0	110.8	T371 V372 G385 S447 V449	N369-T371 PolarHBondContact O-N 2.96Å; N369-T371 VanDerWaalsContact O-N 3.17Å; N369-V372 HydrophobicContact CB-CG1 4.05Å; N369-V372 WeakPolarHBondContact O-CG1 3.27Å; N369-V372 WeakPolarHBondContact O-CG2 3.46Å; N369-V372 PolarHBondContact O-N 3.23Å; N369-G385 PolarHBondContact N-O 3.37Å; N369-G385 WeakPolarHBondContact ND2-CA 3.22Å; N369-S447 PolarHBondContact OD1-OG 3.11Å; N369-V449 WeakPolarHBondContact OD1-CG1 3.4Å
370	E	94.4	Very high	94	Very high	90 Å²	90	39.3 Å²	39.3	42%	0.421	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.5	177.1	-177.4	164.7	-128.5	0	0	113.3	V372 R374 K448 F450	E370-V372 VanDerWaalsContact C-N 3.35Å; E370-V372 PolarHBondContact O-N 3.08Å; E370-R374 PolarHBondContact O-NH2 3.4Å; E370-K448 HydrophobicContact CB-CB 4.24Å; E370-K448 WeakPolarHBondContact CB-O 3.33Å; E370-K448 PolarHBondContact N-O 3.12Å; E370-F450 HydrophobicContact CB-CD2 4.28Å; E370-F450 HydrophobicContact CB-CE2 3.75Å; E370-F450 HydrophobicContact CG-CE2 3.82Å
371	T	91.6	Very high	94.2	Very high	112 Å²	112	40.7 Å²	40.7	69%	0.687	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	5.4	-172.1	63.1	0	0	0	0	114	N369	N369-T371 PolarHBondContact O-N 2.96Å; N369-T371 VanDerWaalsContact O-N 3.17Å
372	V	93.1	Very high	94.3	Very high	10 Å²	10	40.1 Å²	40.1	6%	0.061	23%	0.226	C	C	.	.			trans	-61	144.9	179.1	-63.6	0	0	0	0	111.4	A368 N369 E370 R384 F386	A368-V372 HydrophobicContact CB-CG1 4.25Å; A368-V372 HydrophobicContact CB-CG2 4.19Å; N369-V372 HydrophobicContact CB-CG1 4.05Å; N369-V372 WeakPolarHBondContact O-CG1 3.27Å; N369-V372 WeakPolarHBondContact O-CG2 3.46Å; N369-V372 PolarHBondContact O-N 3.23Å; E370-V372 VanDerWaalsContact C-N 3.35Å; E370-V372 PolarHBondContact O-N 3.08Å; V372-R384 WeakPolarHBondContact CG1-O 3.32Å; V372-F386 HydrophobicContact CB-CE1 4.24Å; V372-F386 HydrophobicContact CB-CE2 3.72Å; V372-F386 HydrophobicContact CB-CZ 3.52Å; V372-F386 HydrophobicContact CG1-CD2 4.1Å; V372-F386 HydrophobicContact CG1-CE1 4.23Å; V372-F386 HydrophobicContact CG1-CE2 3.72Å; V372-F386 HydrophobicContact CG1-CZ 3.79Å; V372-F386 HydrophobicContact CG2-CE1 4.04Å; V372-F386 HydrophobicContact CG2-CE2 4.37Å; V372-F386 HydrophobicContact CG2-CZ 3.66Å
373	S	92.8	Very high	94.3	Very high	74 Å²	74	41 Å²	41	52%	0.517	24%	0.239	S	C	.	.			trans	-63.1	140.5	170.6	-175.3	0	0	0	0	109.8	K375 I378	S373-K375 PolarHBondContact OG-N 2.66Å; S373-K375 PolarHBondContact OG-O 3.38Å; S373-I378 VanDerWaalsContact O-CD1 3.27Å; S373-I378 WeakPolarHBondContact O-CD1 3.48Å
374	R	93.8	Very high	94.2	Very high	37 Å²	37	48 Å²	48	14%	0.14	27%	0.266	C	S	.	.			trans	-117	1	179.6	-49.4	-176.9	-164.6	-169.2	-0.4	112.2	R332 F334 D335 E370	R332-R374 WeakPolarHBondContact O-CD 3.24Å; R332-R374 PolarHBondContact O-NH1 2.99Å; F334-R374 WeakPolarHBondContact CA-O 3.43Å; F334-R374 HydrophobicContact CD1-CB 4.02Å; F334-R374 HydrophobicContact CD1-CG 4.48Å; F334-R374 HydrophobicContact CE1-CB 4.15Å; F334-R374 HydrophobicContact CE1-CG 4.13Å; F334-R374 HydrophobicContact CZ-CG 4.45Å; D335-R374 PolarHBondContact N-O 3.48Å; E370-R374 PolarHBondContact O-NH2 3.4Å
375	K	92.9	Very high	94.1	Very high	71 Å²	71	47.5 Å²	47.5	31%	0.309	27%	0.265	S	S	.	.	S	Bend	trans	-120.1	142.3	-172.6	-56.2	-59.8	-178.7	-174.9	0	111.3	D329 S330 R333 D335 S373	D329-K375 IonicContact OD1-NZ 3.37Å; S330-K375 PolarHBondContact O-NZ 3.45Å; R333-K375 WeakPolarHBondContact O-CE 3.36Å; R333-K375 PolarHBondContact O-NZ 3.44Å; D335-K375 HydrophobicContact CB-CD 3.97Å; D335-K375 VanDerWaalsContact OD1-CA 3.23Å; D335-K375 WeakPolarHBondContact OD1-CA 3.36Å; D335-K375 WeakPolarHBondContact OD2-CA 3.38Å; D335-K375 WeakPolarHBondContact OD2-CD 3.3Å; S373-K375 PolarHBondContact OG-N 2.66Å; S373-K375 PolarHBondContact OG-O 3.38Å
376	G	90.9	Very high	94	Very high	29 Å²	29	47.6 Å²	47.6	30%	0.299	27%	0.265	S	S	.	.	S	Bend	trans	71.6	-158.7	178.4	0	0	0	0	0	114.1	D335 V336 I378	D335-G376 PolarHBondContact OD1-N 3.2Å; D335-G376 PolarHBondContact OD2-N 3.17Å; V336-G376 WeakPolarHBondContact CB-O 3.46Å; G376-I378 PolarHBondContact O-N 3.08Å
377	S	89.8	Confident	94	Very high	121 Å²	121	48.6 Å²	48.6	85%	0.846	27%	0.269	S	S	*	.	S	Bend	trans	-73.3	114.7	177.9	-174.5	0	0	0	0	110.3
378	I	91.4	Very high	94	Very high	21 Å²	21	48.6 Å²	48.6	11%	0.108	27%	0.269	C	S	.	.			trans	-102	131.5	-178.3	-59.5	167.6	0	0	0	109.1	F334 E337 S373 G376 I380 F386	F334-I378 HydrophobicContact CD1-CD1 3.64Å; F334-I378 HydrophobicContact CE1-CD1 3.82Å; E337-I378 HydrophobicContact CB-CD1 3.93Å; S373-I378 VanDerWaalsContact O-CD1 3.27Å; S373-I378 WeakPolarHBondContact O-CD1 3.48Å; G376-I378 PolarHBondContact O-N 3.08Å; I378-I380 HydrophobicContact CG2-CD1 3.81Å; I378-F386 HydrophobicContact CG2-CD2 4.46Å; I378-F386 HydrophobicContact CG2-CE2 3.54Å; I378-F386 HydrophobicContact CG2-CZ 3.7Å
379	Q	91.6	Very high	94	Very high	105 Å²	105	48.6 Å²	48.6	49%	0.491	27%	0.269	S	S	.	.			trans	-91.8	114.1	169.1	-66.8	-179.9	-44.3	0	0	109.1	Q381 R384	Q379-Q381 HydrophobicContact CB-CG 4.29Å; Q379-Q381 PolarHBondContact O-N 3.37Å; Q379-R384 HydrophobicContact CB-CG 4.34Å; Q379-R384 WeakPolarHBondContact O-CB 3.44Å
380	I	93.4	Very high	94.1	Very high	16 Å²	16	47.8 Å²	47.8	8%	0.082	26%	0.264	C	S	.	.			trans	-81.3	98.3	175.5	-50.1	-59.5	0	0	0	108.7	M364 I378 F386 C388 C400 Y452	M364-I380 HydrophobicContact CE-CB 4.21Å; M364-I380 HydrophobicContact CE-CG1 4.27Å; M364-I380 HydrophobicContact CE-CG2 4.19Å; M364-I380 HydrophobicContact SD-CB 3.9Å; M364-I380 HydrophobicContact SD-CG1 3.8Å; M364-I380 HydrophobicContact SD-CG2 3.44Å; M364-I380 WeakPolarHBondContact SD-CG2 2.99Å; I378-I380 HydrophobicContact CG2-CD1 3.81Å; I380-F386 HydrophobicContact CB-CB 4.4Å; I380-F386 HydrophobicContact CD1-CD1 3.76Å; I380-F386 HydrophobicContact CD1-CD2 4.14Å; I380-F386 HydrophobicContact CD1-CE1 3.77Å; I380-F386 HydrophobicContact CD1-CE2 4.15Å; I380-F386 HydrophobicContact CD1-CG 3.95Å; I380-F386 HydrophobicContact CD1-CZ 3.97Å; I380-F386 HydrophobicContact CG2-CB 3.52Å; I380-F386 HydrophobicContact CG2-CD1 4.26Å; I380-F386 HydrophobicContact CG2-CG 3.96Å; I380-C388 HydrophobicContact CG2-CB 4.19Å; I380-C400 HydrophobicContact CG2-CB 4.26Å; I380-Y452 WeakPolarHBondContact CD1-OH 3.28Å
381	Q	94.4	Very high	94.1	Very high	32 Å²	32	43.5 Å²	43.5	15%	0.15	24%	0.244	C	C	.	.	S	Bend	trans	-160.1	159.3	178.4	62.2	-174.2	31.4	0	0	112.2	Q379 S383 R384 G385 F386 C400 E402	Q379-Q381 HydrophobicContact CB-CG 4.29Å; Q379-Q381 PolarHBondContact O-N 3.37Å; Q381-S383 PolarHBondContact NE2-OG 2.95Å; Q381-S383 PolarHBondContact O-N 3.37Å; Q381-R384 HydrophobicContact CG-CB 4.17Å; Q381-R384 HydrophobicContact CG-CG 3.77Å; Q381-R384 PolarHBondContact O-N 3.23Å; Q381-G385 PolarHBondContact O-N 2.79Å; Q381-F386 CarbonylContact C-O 3.59Å; Q381-F386 PolarHBondContact O-N 2.83Å; Q381-C400 WeakPolarHBondContact CA-O 3.26Å; Q381-E402 HydrophobicContact CB-CG 3.71Å; Q381-E402 VanDerWaalsContact CB-OE1 3.28Å; Q381-E402 WeakPolarHBondContact CB-OE1 3.36Å; Q381-E402 VanDerWaalsContact CD-OE1 3.26Å; Q381-E402 HydrophobicContact CG-CG 4.14Å; Q381-E402 WeakPolarHBondContact CG-OE1 3.47Å; Q381-E402 PolarHBondContact NE2-OE1 2.97Å; Q381-E402 PolarHBondContact NE2-OE2 3.05Å
382	P	94.8	Very high	94	Very high	26 Å²	26	40.1 Å²	40.1	17%	0.169	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-52.2	-43.4	-179.1	-34.7	37.3	0	0	0	115	R384 G385 F386 Y387 C400 Y441	P382-R384 PolarHBondContact O-N 2.74Å; P382-G385 PolarHBondContact O-N 2.87Å; P382-F386 WeakPolarHBondContact CA-O 3.24Å; P382-F386 VanDerWaalsContact N-O 3.11Å; P382-Y387 HydrophobicContact CB-CD1 4.15Å; P382-Y387 HydrophobicContact CB-CE1 3.74Å; P382-Y387 HydrophobicContact CG-CD1 4.18Å; P382-Y387 HydrophobicContact CG-CE1 4.27Å; P382-C400 WeakPolarHBondContact CD-O 3.45Å; P382-Y441 HydrophobicContact CG-CD1 4.34Å; P382-Y441 HydrophobicContact CG-CE1 3.86Å
383	S	93.7	Very high	93.6	Very high	79 Å²	79	46 Å²	46	55%	0.552	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-63.3	-17.2	180	61.7	0	0	0	0	113.7	Q381 E402	Q381-S383 PolarHBondContact NE2-OG 2.95Å; Q381-S383 PolarHBondContact O-N 3.37Å; S383-E402 WeakPolarHBondContact CB-OE1 3.49Å; S383-E402 PolarHBondContact N-OE1 3.39Å; S383-E402 PolarHBondContact OG-OE1 3.13Å; S383-E402 PolarHBondContact OG-OE2 3.42Å; S383-E402 VanDerWaalsContact OG-OE2 3.12Å
384	R	94.2	Very high	93.3	Very high	150 Å²	150	43.2 Å²	43.2	57%	0.566	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-103.3	5.8	176.2	-59	-58.8	-169.8	165.7	1.6	113	V372 Q379 Q381 P382 F386	V372-R384 WeakPolarHBondContact CG1-O 3.32Å; Q379-R384 HydrophobicContact CB-CG 4.34Å; Q379-R384 WeakPolarHBondContact O-CB 3.44Å; Q381-R384 HydrophobicContact CG-CB 4.17Å; Q381-R384 HydrophobicContact CG-CG 3.77Å; Q381-R384 PolarHBondContact O-N 3.23Å; P382-R384 PolarHBondContact O-N 2.74Å; R384-F386 HydrophobicContact CB-CD2 4.12Å; R384-F386 HydrophobicContact CB-CE2 4.5Å
385	G	95	Very high	92.9	Very high	5 Å²	5	47 Å²	47	5%	0.052	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	20	177.3	0	0	0	0	0	114.8	A368 N369 Q381 P382	A368-G385 CarbonylContact C-O 3.52Å; A368-G385 WeakPolarHBondContact CA-O 3.45Å; N369-G385 PolarHBondContact N-O 3.37Å; N369-G385 WeakPolarHBondContact ND2-CA 3.22Å; Q381-G385 PolarHBondContact O-N 2.79Å; P382-G385 PolarHBondContact O-N 2.87Å
386	F	96.8	Very high	92.9	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.009	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.2	174.6	-64.6	-89.6	0	0	0	111.1	A368 V372 I378 I380 Q381 P382 R384 Y452	A368-F386 HydrophobicContact CB-CD1 3.63Å; A368-F386 HydrophobicContact CB-CE1 3.69Å; V372-F386 HydrophobicContact CB-CE1 4.24Å; V372-F386 HydrophobicContact CB-CE2 3.72Å; V372-F386 HydrophobicContact CB-CZ 3.52Å; V372-F386 HydrophobicContact CG1-CD2 4.1Å; V372-F386 HydrophobicContact CG1-CE1 4.23Å; V372-F386 HydrophobicContact CG1-CE2 3.72Å; V372-F386 HydrophobicContact CG1-CZ 3.79Å; V372-F386 HydrophobicContact CG2-CE1 4.04Å; V372-F386 HydrophobicContact CG2-CE2 4.37Å; V372-F386 HydrophobicContact CG2-CZ 3.66Å; I378-F386 HydrophobicContact CG2-CD2 4.46Å; I378-F386 HydrophobicContact CG2-CE2 3.54Å; I378-F386 HydrophobicContact CG2-CZ 3.7Å; I380-F386 HydrophobicContact CB-CB 4.4Å; I380-F386 HydrophobicContact CD1-CD1 3.76Å; I380-F386 HydrophobicContact CD1-CD2 4.14Å; I380-F386 HydrophobicContact CD1-CE1 3.77Å; I380-F386 HydrophobicContact CD1-CE2 4.15Å; I380-F386 HydrophobicContact CD1-CG 3.95Å; I380-F386 HydrophobicContact CD1-CZ 3.97Å; I380-F386 HydrophobicContact CG2-CB 3.52Å; I380-F386 HydrophobicContact CG2-CD1 4.26Å; I380-F386 HydrophobicContact CG2-CG 3.96Å; Q381-F386 CarbonylContact C-O 3.59Å; Q381-F386 PolarHBondContact O-N 2.83Å; P382-F386 WeakPolarHBondContact CA-O 3.24Å; P382-F386 VanDerWaalsContact N-O 3.11Å; R384-F386 HydrophobicContact CB-CD2 4.12Å; R384-F386 HydrophobicContact CB-CE2 4.5Å; F386-Y452 HydrophobicContact CD1-CD2 4.18Å; F386-Y452 HydrophobicContact CD1-CE2 4.14Å; F386-Y452 AromaticContact CE1-CD2 3.97Å; F386-Y452 HydrophobicContact CE1-CD2 3.97Å; F386-Y452 AromaticContact CE1-CE2 3.73Å; F386-Y452 HydrophobicContact CE1-CE2 3.73Å
387	Y	97.6	Very high	93.2	Very high	21 Å²	21	46.8 Å²	46.8	8%	0.082	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	90.9	179.6	-52.5	-84.9	0	0	0	108.3	G366 V367 P382 L427 Y441 E443 F445	G366-Y387 VanDerWaalsContact CA-O 3.3Å; G366-Y387 WeakPolarHBondContact CA-O 3.26Å; V367-Y387 HydrophobicContact CG2-CD2 4.07Å; V367-Y387 HydrophobicContact CG2-CG 4.5Å; V367-Y387 PolarHBondContact N-O 3.25Å; V367-Y387 PolarHBondContact O-N 3.08Å; P382-Y387 HydrophobicContact CB-CD1 4.15Å; P382-Y387 HydrophobicContact CB-CE1 3.74Å; P382-Y387 HydrophobicContact CG-CD1 4.18Å; P382-Y387 HydrophobicContact CG-CE1 4.27Å; Y387-L427 WeakPolarHBondContact O-CD2 3.28Å; Y387-Y441 AromaticContact CD1-CD1 3.85Å; Y387-Y441 HydrophobicContact CD1-CD1 3.85Å; Y387-Y441 HydrophobicContact CD1-CE1 4.32Å; Y387-Y441 HydrophobicContact CD1-CG 4.11Å; Y387-E443 HydrophobicContact CD1-CG 4.16Å; Y387-E443 HydrophobicContact CE1-CB 4.15Å; Y387-E443 HydrophobicContact CE1-CG 3.54Å; Y387-F445 AromaticContact CD2-CE1 3.92Å; Y387-F445 HydrophobicContact CD2-CE1 3.92Å; Y387-F445 HydrophobicContact CE2-CD1 4.27Å; Y387-F445 AromaticContact CE2-CE1 3.85Å; Y387-F445 HydrophobicContact CE2-CE1 3.85Å; Y387-F445 HydrophobicContact CG-CE1 4.41Å
388	C	98.2	Very high	93.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	158.5	-169.7	-55.5	0	0	0	0	112.4	M364 I365 I380 C400 Y441 Y452	M364-C388 HydrophobicContact CG-CB 3.65Å; M364-C388 HydrophobicContact SD-CB 4.1Å; I365-C388 CarbonylContact O-C 2.99Å; I365-C388 VanDerWaalsContact O-CA 3.3Å; I365-C388 WeakPolarHBondContact O-CA 3.22Å; I365-C388 WeakPolarHBondContact O-CB 3.4Å; I380-C388 HydrophobicContact CG2-CB 4.19Å; C388-C400 PolarHBondContact O-N 3.47Å; C388-Y441 PolarHBondContact O-OH 3.47Å; C388-Y452 VanDerWaalsContact SG-CD1 3.59Å
389	I	98.1	Very high	93.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	154.6	158.4	62.9	164.1	0	0	0	109	W363 M364 I365 S398 A399 L407 V416 F429 L438	W363-I389 HydrophobicContact CH2-CD1 4.21Å; W363-I389 HydrophobicContact CZ3-CD1 4.24Å; W363-I389 HydrophobicContact CZ3-CG1 4.1Å; M364-I389 WeakPolarHBondContact CA-O 3.2Å; I365-I389 PolarHBondContact N-O 3.5Å; I365-I389 PolarHBondContact O-N 3.26Å; I389-S398 CarbonylContact C-O 3.53Å; I389-S398 VanDerWaalsContact CA-O 3.3Å; I389-S398 WeakPolarHBondContact CA-O 3.42Å; I389-A399 HydrophobicContact CG2-CB 4.24Å; I389-L407 HydrophobicContact CB-CD1 4.14Å; I389-L407 HydrophobicContact CG2-CD1 3.89Å; I389-V416 HydrophobicContact CD1-CG1 3.91Å; I389-F429 HydrophobicContact CD1-CB 3.92Å; I389-F429 HydrophobicContact CD1-CD1 3.67Å; I389-F429 HydrophobicContact CD1-CE1 4.41Å; I389-F429 HydrophobicContact CD1-CG 3.92Å; I389-F429 HydrophobicContact CG1-CD1 3.58Å; I389-F429 HydrophobicContact CG1-CE1 3.83Å; I389-F429 HydrophobicContact CG1-CG 4.02Å; I389-F429 HydrophobicContact CG1-CZ 4.47Å; I389-F429 HydrophobicContact CG2-CB 4.37Å; I389-F429 HydrophobicContact CG2-CD1 4.19Å; I389-F429 HydrophobicContact CG2-CD2 3.74Å; I389-F429 HydrophobicContact CG2-CE1 4.42Å; I389-F429 HydrophobicContact CG2-CE2 4Å; I389-F429 HydrophobicContact CG2-CG 3.83Å; I389-F429 HydrophobicContact CG2-CZ 4.33Å; I389-L438 HydrophobicContact CD1-CD1 4.15Å
390	V	97.1	Very high	94.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.2	-172.1	66.2	0	0	0	0	110.2	W363 M364 H392 Y397 S398 W404	W363-V390 WeakPolarHBondContact O-CA 3.31Å; W363-V390 WeakPolarHBondContact O-CG2 3.23Å; M364-V390 HydrophobicContact CB-CB 4.38Å; M364-V390 HydrophobicContact CB-CG2 4.01Å; M364-V390 HydrophobicContact CE-CB 3.82Å; M364-V390 HydrophobicContact CE-CG1 4.47Å; M364-V390 HydrophobicContact CE-CG2 3.56Å; M364-V390 HydrophobicContact CG-CB 4.14Å; M364-V390 HydrophobicContact CG-CG2 4.22Å; V390-H392 WeakPolarHBondContact CG1-NE2 3.47Å; V390-H392 WeakPolarHBondContact CG2-CE1 3.35Å; V390-H392 WeakPolarHBondContact CG2-NE2 3.38Å; V390-Y397 CarbonylContact O-C 3.34Å; V390-Y397 VanDerWaalsContact O-CA 3.29Å; V390-Y397 WeakPolarHBondContact O-CA 3.37Å; V390-S398 WeakPolarHBondContact CG1-O 3.45Å; V390-S398 PolarHBondContact N-O 3.32Å; V390-S398 PolarHBondContact O-N 3.02Å; V390-W404 HydrophobicContact CG1-CZ3 4.34Å
391	M	95.7	Very high	94.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.9	166.9	-173	-177.4	78.9	0	0	109.5	K360 T361 Q362 W363 Q396 Y397	K360-M391 HydrophobicContact CB-CE 4.4Å; K360-M391 VanDerWaalsContact O-CE 3.24Å; K360-M391 WeakPolarHBondContact O-CE 3.38Å; T361-M391 WeakPolarHBondContact O-CE 3.42Å; Q362-M391 VanDerWaalsContact CA-O 3.27Å; Q362-M391 WeakPolarHBondContact CA-O 3.46Å; W363-M391 HydrophobicContact CD2-CB 3.81Å; W363-M391 HydrophobicContact CE3-CB 4.37Å; W363-M391 HydrophobicContact CG-CB 4.25Å; W363-M391 HydrophobicContact CG-CE 4.47Å; W363-M391 HydrophobicContact CH2-CB 4.19Å; W363-M391 HydrophobicContact CZ2-CB 3.63Å; W363-M391 HydrophobicContact CZ2-CG 4.45Å; W363-M391 HydrophobicContact CZ2-SD 4.18Å; W363-M391 PolarHBondContact N-O 3.2Å; W363-M391 PolarHBondContact NE1-SD 3.32Å; W363-M391 PolarHBondContact O-N 3.24Å; M391-Q396 CarbonylContact C-O 3.48Å; M391-Q396 VanDerWaalsContact CA-O 3.29Å; M391-Q396 WeakPolarHBondContact CA-O 3.49Å; M391-Y397 HydrophobicContact CB-CD1 3.77Å; M391-Y397 HydrophobicContact CB-CE1 3.74Å; M391-Y397 HydrophobicContact CG-CD1 3.8Å; M391-Y397 HydrophobicContact CG-CE1 3.44Å; M391-Y397 VanDerWaalsContact CG-CE1 3.44Å; M391-Y397 HydrophobicContact SD-CD1 4.37Å; M391-Y397 HydrophobicContact SD-CE1 3.43Å; M391-Y397 WeakPolarHBondContact SD-CE1 3.31Å; M391-Y397 PolarHBondContact SD-OH 2.97Å
392	H	89.7	Confident	94.2	Very high	41 Å²	41	39 Å²	39	19%	0.19	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.2	173.2	-56	-79.1	0	0	0	110.1	V390 G394 N395 Q396 W404	V390-H392 WeakPolarHBondContact CG1-NE2 3.47Å; V390-H392 WeakPolarHBondContact CG2-CE1 3.35Å; V390-H392 WeakPolarHBondContact CG2-NE2 3.38Å; H392-G394 PolarHBondContact O-N 2.93Å; H392-N395 PolarHBondContact O-N 3.34Å; H392-Q396 PolarHBondContact N-O 3.05Å; H392-Q396 WeakPolarHBondContact O-CB 3.47Å; H392-Q396 PolarHBondContact O-N 3.21Å; H392-W404 AromaticContact CD2-CZ3 3.91Å; H392-W404 AromaticContact NE2-CH2 3.55Å; H392-W404 AromaticContact NE2-CZ3 3.24Å; H392-W404 WeakPolarHBondContact NE2-CZ3 3.44Å
393	D	84.2	Confident	94.2	Very high	133 Å²	133	43.2 Å²	43.2	71%	0.711	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	28	173.5	-54.7	-31.8	0	0	0	115	N395	D393-N395 VanDerWaalsContact C-N 3.27Å; D393-N395 PolarHBondContact O-N 3.31Å; D393-N395 VanDerWaalsContact O-N 3.16Å
394	G	85.3	Confident	94.3	Very high	17 Å²	17	45.7 Å²	45.7	18%	0.175	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	-19.5	174.1	0	0	0	0	0	117.1	T361 H392	T361-G394 PolarHBondContact O-N 3.33Å; H392-G394 PolarHBondContact O-N 2.93Å
395	N	86.4	Confident	94.4	Very high	116 Å²	116	41.2 Å²	41.2	62%	0.62	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-145.9	-2.3	175.2	104.6	-1.9	0	0	0	116.1	H392 D393 Y397	H392-N395 PolarHBondContact O-N 3.34Å; D393-N395 VanDerWaalsContact C-N 3.27Å; D393-N395 PolarHBondContact O-N 3.31Å; D393-N395 VanDerWaalsContact O-N 3.16Å; N395-Y397 WeakPolarHBondContact O-CD2 3.2Å; N395-Y397 WeakPolarHBondContact O-CE2 2.87Å
396	Q	93.4	Very high	94.5	Very high	85 Å²	85	50.2 Å²	50.2	40%	0.397	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.6	-177.9	-61.4	-173.8	41.5	0	0	109.4	M391 H392	M391-Q396 CarbonylContact C-O 3.48Å; M391-Q396 VanDerWaalsContact CA-O 3.29Å; M391-Q396 WeakPolarHBondContact CA-O 3.49Å; H392-Q396 PolarHBondContact N-O 3.05Å; H392-Q396 WeakPolarHBondContact O-CB 3.47Å; H392-Q396 PolarHBondContact O-N 3.21Å
397	Y	97.2	Very high	94.5	Very high	10 Å²	10	50.9 Å²	50.9	4%	0.039	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140	-177.9	-56.5	-89.7	0	0	0	110.4	W363 V390 M391 N395 L407 V409 K412 L413	W363-Y397 HydrophobicContact CH2-CD1 4.23Å; W363-Y397 HydrophobicContact CH2-CE1 4.29Å; W363-Y397 HydrophobicContact CZ2-CD1 4.13Å; W363-Y397 AromaticContact CZ2-CE1 3.76Å; W363-Y397 HydrophobicContact CZ2-CE1 3.76Å; V390-Y397 CarbonylContact O-C 3.34Å; V390-Y397 VanDerWaalsContact O-CA 3.29Å; V390-Y397 WeakPolarHBondContact O-CA 3.37Å; M391-Y397 HydrophobicContact CB-CD1 3.77Å; M391-Y397 HydrophobicContact CB-CE1 3.74Å; M391-Y397 HydrophobicContact CG-CD1 3.8Å; M391-Y397 HydrophobicContact CG-CE1 3.44Å; M391-Y397 VanDerWaalsContact CG-CE1 3.44Å; M391-Y397 HydrophobicContact SD-CD1 4.37Å; M391-Y397 HydrophobicContact SD-CE1 3.43Å; M391-Y397 WeakPolarHBondContact SD-CE1 3.31Å; M391-Y397 PolarHBondContact SD-OH 2.97Å; N395-Y397 WeakPolarHBondContact O-CD2 3.2Å; N395-Y397 WeakPolarHBondContact O-CE2 2.87Å; Y397-L407 PolarHBondContact O-N 3.42Å; Y397-V409 HydrophobicContact CD1-CG2 4.41Å; Y397-V409 HydrophobicContact CD2-CB 3.65Å; Y397-V409 HydrophobicContact CD2-CG1 4.26Å; Y397-V409 HydrophobicContact CD2-CG2 3.41Å; Y397-V409 VanDerWaalsContact CD2-CG2 3.41Å; Y397-V409 HydrophobicContact CE2-CB 3.91Å; Y397-V409 HydrophobicContact CE2-CG1 4.12Å; Y397-V409 HydrophobicContact CE2-CG2 4.1Å; Y397-V409 HydrophobicContact CG-CB 4.33Å; Y397-V409 HydrophobicContact CG-CG2 3.6Å; Y397-K412 WeakPolarHBondContact OH-CA 3.39Å; Y397-L413 HydrophobicContact CD1-CD1 3.95Å; Y397-L413 HydrophobicContact CE1-CB 4.36Å; Y397-L413 HydrophobicContact CE1-CD1 3.66Å; Y397-L413 HydrophobicContact CE1-CG 3.92Å; Y397-L413 PolarHBondContact OH-N 2.78Å; Y397-L413 VanDerWaalsContact OH-N 3.16Å
398	S	97.8	Very high	94.1	Very high	18 Å²	18	57.5 Å²	57.5	13%	0.126	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	148.1	176.8	-65.3	0	0	0	0	111.2	I389 V390 T405	I389-S398 CarbonylContact C-O 3.53Å; I389-S398 VanDerWaalsContact CA-O 3.3Å; I389-S398 WeakPolarHBondContact CA-O 3.42Å; V390-S398 WeakPolarHBondContact CG1-O 3.45Å; V390-S398 PolarHBondContact N-O 3.32Å; V390-S398 PolarHBondContact O-N 3.02Å; S398-T405 CarbonylContact C-O 3.1Å; S398-T405 WeakPolarHBondContact CA-O 3.14Å
399	A	98	Very high	93.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.6	158.9	0	0	0	0	0	108.6	I389 T401 T405 L407 Y439	I389-A399 HydrophobicContact CG2-CB 4.24Å; A399-T401 HydrophobicContact CB-CG2 4.23Å; A399-T401 PolarHBondContact O-N 2.83Å; A399-T401 PolarHBondContact O-OG1 3.39Å; A399-T405 PolarHBondContact N-O 3.43Å; A399-T405 PolarHBondContact O-N 3.36Å; A399-L407 HydrophobicContact CB-CD2 4.05Å; A399-Y439 HydrophobicContact CB-CD1 3.57Å; A399-Y439 HydrophobicContact CB-CD2 3.83Å; A399-Y439 HydrophobicContact CB-CE1 3.66Å; A399-Y439 HydrophobicContact CB-CE2 3.9Å; A399-Y439 HydrophobicContact CB-CG 3.67Å
400	C	96.9	Very high	93.4	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.338	C	S	.	.			trans	-73.3	41	-178.1	-56	0	0	0	0	113.3	I380 Q381 P382 C388 Y441	I380-C400 HydrophobicContact CG2-CB 4.26Å; Q381-C400 WeakPolarHBondContact CA-O 3.26Å; P382-C400 WeakPolarHBondContact CD-O 3.45Å; C388-C400 PolarHBondContact O-N 3.47Å; C400-Y441 PolarHBondContact N-OH 3.44Å
401	T	96.1	Very high	93	Very high	17 Å²	17	71.5 Å²	71.5	10%	0.104	36%	0.362	C	S	.	.			trans	-71.7	177.9	176.2	51.5	0	0	0	0	112.3	A399 P403 W404 T405 Y439 Y441	A399-T401 HydrophobicContact CB-CG2 4.23Å; A399-T401 PolarHBondContact O-N 2.83Å; A399-T401 PolarHBondContact O-OG1 3.39Å; T401-P403 CarbonylContact C-O 3.53Å; T401-P403 WeakPolarHBondContact CB-O 3.47Å; T401-P403 CarbonylContact O-C 3.59Å; T401-P403 PolarHBondContact OG1-O 3.06Å; T401-W404 WeakPolarHBondContact O-CA 3.44Å; T401-W404 PolarHBondContact O-N 3.38Å; T401-W404 VanDerWaalsContact O-N 3.1Å; T401-T405 WeakPolarHBondContact OG1-CB 3.24Å; T401-T405 PolarHBondContact OG1-N 3.45Å; T401-T405 PolarHBondContact OG1-OG1 3.33Å; T401-Y439 HydrophobicContact CG2-CE1 4.19Å; T401-Y439 WeakPolarHBondContact CG2-OH 3.5Å; T401-Y441 HydrophobicContact CG2-CE1 3.83Å
402	E	93.1	Very high	92.8	Very high	97 Å²	97	75.9 Å²	75.9	45%	0.453	38%	0.381	S	S	.	.	S	Bend	trans	-118	100.6	177.6	-66.2	173.1	-125.9	0	0	110	Q381 S383	Q381-E402 HydrophobicContact CB-CG 3.71Å; Q381-E402 VanDerWaalsContact CB-OE1 3.28Å; Q381-E402 WeakPolarHBondContact CB-OE1 3.36Å; Q381-E402 VanDerWaalsContact CD-OE1 3.26Å; Q381-E402 HydrophobicContact CG-CG 4.14Å; Q381-E402 WeakPolarHBondContact CG-OE1 3.47Å; Q381-E402 PolarHBondContact NE2-OE1 2.97Å; Q381-E402 PolarHBondContact NE2-OE2 3.05Å; S383-E402 WeakPolarHBondContact CB-OE1 3.49Å; S383-E402 PolarHBondContact N-OE1 3.39Å; S383-E402 PolarHBondContact OG-OE1 3.13Å; S383-E402 PolarHBondContact OG-OE2 3.42Å; S383-E402 VanDerWaalsContact OG-OE2 3.12Å
403	P	94.2	Very high	93.1	Very high	115 Å²	115	74 Å²	74	75%	0.747	37%	0.372	S	S	*	.	S	Bend	cis	-73.3	169	-5.3	33.8	-37.2	0	0	0	113	T401 T405	T401-P403 CarbonylContact C-O 3.53Å; T401-P403 WeakPolarHBondContact CB-O 3.47Å; T401-P403 CarbonylContact O-C 3.59Å; T401-P403 PolarHBondContact OG1-O 3.06Å; P403-T405 PolarHBondContact O-N 2.85Å
404	W	94.8	Very high	93.5	Very high	130 Å²	130	73.5 Å²	73.5	49%	0.492	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-58.7	132.5	-178.8	-74.2	15.7	0	0	0	112	V390 H392 T401	V390-W404 HydrophobicContact CG1-CZ3 4.34Å; H392-W404 AromaticContact CD2-CZ3 3.91Å; H392-W404 AromaticContact NE2-CH2 3.55Å; H392-W404 AromaticContact NE2-CZ3 3.24Å; H392-W404 WeakPolarHBondContact NE2-CZ3 3.44Å; T401-W404 WeakPolarHBondContact O-CA 3.44Å; T401-W404 PolarHBondContact O-N 3.38Å; T401-W404 VanDerWaalsContact O-N 3.1Å
405	T	96.8	Very high	94	Very high	57 Å²	57	74.5 Å²	74.5	35%	0.35	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.3	-179.1	-61.1	0	0	0	0	109.5	S398 A399 T401 P403 L407 Y439	S398-T405 CarbonylContact C-O 3.1Å; S398-T405 WeakPolarHBondContact CA-O 3.14Å; A399-T405 PolarHBondContact N-O 3.43Å; A399-T405 PolarHBondContact O-N 3.36Å; T401-T405 WeakPolarHBondContact OG1-CB 3.24Å; T401-T405 PolarHBondContact OG1-N 3.45Å; T401-T405 PolarHBondContact OG1-OG1 3.33Å; P403-T405 PolarHBondContact O-N 2.85Å; T405-L407 PolarHBondContact O-N 2.88Å; T405-Y439 HydrophobicContact CG2-CE2 4.1Å
406	R	96.8	Very high	94.5	Very high	193 Å²	193	69 Å²	69	73%	0.728	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	134.3	175.1	179.9	177.1	-79	-165	-6.4	110.7
407	L	96.6	Very high	94.7	Very high	16 Å²	16	65 Å²	65	8%	0.084	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-95.3	140.7	176.4	-52.1	-177.7	0	0	0	110.6	I389 Y397 A399 T405 V409 Y439	I389-L407 HydrophobicContact CB-CD1 4.14Å; I389-L407 HydrophobicContact CG2-CD1 3.89Å; Y397-L407 PolarHBondContact O-N 3.42Å; A399-L407 HydrophobicContact CB-CD2 4.05Å; T405-L407 PolarHBondContact O-N 2.88Å; L407-V409 HydrophobicContact CB-CG2 4.03Å; L407-V409 PolarHBondContact O-N 3.35Å; L407-Y439 HydrophobicContact CD2-CD2 3.59Å; L407-Y439 HydrophobicContact CD2-CG 3.96Å
408	N	90.6	Very high	94.7	Very high	161 Å²	161	64.5 Å²	64.5	86%	0.861	32%	0.315	S	S	*	.			trans	-93.5	90.8	175.8	-171.2	7	0	0	0	110
409	V	92.9	Very high	94.7	Very high	28 Å²	28	65.4 Å²	65.4	17%	0.17	32%	0.317	C	S	.	.			trans	-103.2	123.8	-178.1	-166.4	0	0	0	0	109.5	Y397 L407 S411 L413 L438	Y397-V409 HydrophobicContact CD1-CG2 4.41Å; Y397-V409 HydrophobicContact CD2-CB 3.65Å; Y397-V409 HydrophobicContact CD2-CG1 4.26Å; Y397-V409 HydrophobicContact CD2-CG2 3.41Å; Y397-V409 VanDerWaalsContact CD2-CG2 3.41Å; Y397-V409 HydrophobicContact CE2-CB 3.91Å; Y397-V409 HydrophobicContact CE2-CG1 4.12Å; Y397-V409 HydrophobicContact CE2-CG2 4.1Å; Y397-V409 HydrophobicContact CG-CB 4.33Å; Y397-V409 HydrophobicContact CG-CG2 3.6Å; L407-V409 HydrophobicContact CB-CG2 4.03Å; L407-V409 PolarHBondContact O-N 3.35Å; V409-S411 WeakPolarHBondContact CG1-O 3.4Å; V409-L413 HydrophobicContact CG1-CD1 4.38Å; V409-L413 HydrophobicContact CG1-CD2 3.59Å; V409-L413 HydrophobicContact CG1-CG 3.84Å; V409-L438 HydrophobicContact CG1-CD2 4.37Å; V409-L438 HydrophobicContact CG2-CD2 4.2Å
410	K	87.2	Confident	94.7	Very high	195 Å²	195	65.4 Å²	65.4	85%	0.848	32%	0.317	S	S	*	.	S	Bend	trans	-69	-37.7	-173.3	-64.8	-179.1	-178.2	173.7	0	113.6
411	S	89	Confident	94.6	Very high	73 Å²	73	66 Å²	66	51%	0.51	32%	0.32	S	S	.	.	S	Bend	trans	-140.7	163.9	-177.7	53.4	0	0	0	0	109.8	V409 L413	V409-S411 WeakPolarHBondContact CG1-O 3.4Å; S411-L413 PolarHBondContact O-N 2.84Å
412	K	92.3	Very high	94.6	Very high	91 Å²	91	66.7 Å²	66.7	40%	0.396	32%	0.321	S	S	.	.			trans	-58.6	132.4	174.6	-167.6	-175.9	-175.4	-167.3	0	109.3	S358 K360 Y397	S358-K412 WeakPolarHBondContact O-CE 3.49Å; S358-K412 PolarHBondContact O-NZ 2.87Å; K360-K412 WeakPolarHBondContact O-CE 3.44Å; K360-K412 PolarHBondContact O-NZ 3.27Å; Y397-K412 WeakPolarHBondContact OH-CA 3.39Å
413	L	95	Very high	94.6	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.005	33%	0.329	C	S	.	.			trans	-72	130.1	179	-61.5	177	0	0	0	109.5	V357 W363 Y397 V409 S411 V416 N431 L438	V357-L413 HydrophobicContact CG2-CB 4.06Å; V357-L413 WeakPolarHBondContact CG2-O 3.13Å; W363-L413 HydrophobicContact CH2-CD1 4.2Å; W363-L413 HydrophobicContact CZ2-CD1 4.24Å; Y397-L413 HydrophobicContact CD1-CD1 3.95Å; Y397-L413 HydrophobicContact CE1-CB 4.36Å; Y397-L413 HydrophobicContact CE1-CD1 3.66Å; Y397-L413 HydrophobicContact CE1-CG 3.92Å; Y397-L413 PolarHBondContact OH-N 2.78Å; Y397-L413 VanDerWaalsContact OH-N 3.16Å; V409-L413 HydrophobicContact CG1-CD1 4.38Å; V409-L413 HydrophobicContact CG1-CD2 3.59Å; V409-L413 HydrophobicContact CG1-CG 3.84Å; S411-L413 PolarHBondContact O-N 2.84Å; L413-V416 HydrophobicContact CD1-CG2 3.96Å; L413-N431 HydrophobicContact CD2-CB 3.76Å; L413-L438 HydrophobicContact CD1-CD1 3.77Å; L413-L438 HydrophobicContact CD2-CD1 4.35Å; L413-L438 HydrophobicContact CD2-CD2 4.31Å
414	E	94.4	Very high	94.5	Very high	123 Å²	123	67.9 Å²	67.9	58%	0.575	32%	0.323	S	S	*	.	S	Bend	trans	-90	-38	167.5	-57.9	-170.7	176.5	0	0	110.8	V357 S358 D433	V357-E414 WeakPolarHBondContact CG2-O 3.42Å; V357-E414 PolarHBondContact N-O 3.35Å; S358-E414 PolarHBondContact N-O 3.3Å; S358-E414 VanDerWaalsContact N-O 3.12Å; E414-D433 WeakPolarHBondContact CB-OD2 3.21Å
415	K	95.3	Very high	94.5	Very high	39 Å²	39	62 Å²	62	17%	0.17	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138.5	179.5	-159.2	-169	-47.3	165.2	0	112.6	E354 V355 M356 A432 D433 N471	E354-K415 HydrophobicContact CB-CD 3.62Å; E354-K415 HydrophobicContact CB-CG 4.07Å; E354-K415 HydrophobicContact CG-CD 4.1Å; E354-K415 WeakPolarHBondContact OE2-CD 3.42Å; E354-K415 IonicContact OE2-NZ 2.76Å; E354-K415 PolarHBondContact OE2-NZ 3.24Å; V355-K415 WeakPolarHBondContact O-CA 3.02Å; V355-K415 WeakPolarHBondContact O-CG 3.47Å; M356-K415 HydrophobicContact CG-CG 4.26Å; K415-A432 HydrophobicContact CB-CB 3.96Å; K415-A432 HydrophobicContact CD-CB 3.73Å; K415-A432 HydrophobicContact CG-CB 3.89Å; K415-A432 PolarHBondContact O-N 3.13Å; K415-D433 PolarHBondContact N-OD2 2.92Å; K415-N471 HydrophobicContact CD-CB 4.32Å; K415-N471 PolarHBondContact NZ-ND2 3.03Å
416	V	97.1	Very high	94.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.4	176	177.4	0	0	0	0	109.3	E354 V355 V357 W363 I365 I389 L413 V418 F429	E354-V416 CarbonylContact C-O 3.58Å; E354-V416 VanDerWaalsContact CA-O 3.29Å; E354-V416 WeakPolarHBondContact CA-O 3.35Å; V355-V416 PolarHBondContact N-O 3.38Å; V355-V416 PolarHBondContact O-N 3.43Å; V357-V416 HydrophobicContact CG1-CG2 4.25Å; V357-V416 HydrophobicContact CG2-CG2 3.96Å; W363-V416 HydrophobicContact CH2-CG2 3.56Å; W363-V416 HydrophobicContact CZ2-CG2 3.95Å; W363-V416 HydrophobicContact CZ3-CG2 4.2Å; I365-V416 HydrophobicContact CD1-CB 4.22Å; I365-V416 HydrophobicContact CD1-CG2 4.29Å; I389-V416 HydrophobicContact CD1-CG1 3.91Å; L413-V416 HydrophobicContact CD1-CG2 3.96Å; V416-V418 HydrophobicContact CG1-CG2 4.28Å; V416-F429 HydrophobicContact CG1-CD1 4.22Å
417	G	97.1	Very high	94.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.9	170.6	0	0	0	0	0	110.5	F429 Y430	G417-F429 WeakPolarHBondContact O-CA 3.24Å; G417-Y430 PolarHBondContact N-O 3.12Å; G417-Y430 PolarHBondContact O-N 2.93Å
418	V	97.9	Very high	94.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.6	177.5	-170.9	0	0	0	0	108.6	Y352 W353 I365 V416 L427 F429	Y352-V418 CarbonylContact C-O 3.52Å; Y352-V418 VanDerWaalsContact CA-O 3.29Å; Y352-V418 WeakPolarHBondContact CA-O 3.45Å; Y352-V418 VanDerWaalsContact CD2-O 3.26Å; Y352-V418 WeakPolarHBondContact CD2-O 3.35Å; W353-V418 HydrophobicContact CD2-CB 3.92Å; W353-V418 HydrophobicContact CD2-CG1 4.39Å; W353-V418 VanDerWaalsContact CE2-CB 3.48Å; W353-V418 HydrophobicContact CE3-CB 4.47Å; W353-V418 HydrophobicContact CG-CB 4.38Å; W353-V418 HydrophobicContact CH2-CB 4.24Å; W353-V418 HydrophobicContact CH2-CG1 3.64Å; W353-V418 HydrophobicContact CZ2-CB 3.68Å; W353-V418 HydrophobicContact CZ2-CG1 3.31Å; W353-V418 HydrophobicContact CZ2-CG2 4.3Å; W353-V418 HydrophobicContact CZ3-CG1 4.31Å; W353-V418 PolarHBondContact N-O 2.91Å; W353-V418 PolarHBondContact O-N 3.2Å; I365-V418 HydrophobicContact CG2-CG2 3.73Å; V416-V418 HydrophobicContact CG1-CG2 4.28Å; V418-L427 HydrophobicContact CG1-CD1 3.66Å; V418-F429 HydrophobicContact CB-CE1 4.46Å; V418-F429 HydrophobicContact CG1-CD1 4.35Å; V418-F429 HydrophobicContact CG1-CE1 3.93Å; V418-F429 HydrophobicContact CG1-CZ 4.38Å; V418-F429 HydrophobicContact CG2-CD1 3.94Å; V418-F429 HydrophobicContact CG2-CE1 3.85Å
419	F	97.4	Very high	95	Very high	38 Å²	38	44 Å²	44	17%	0.167	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.2	-179.7	176.6	-94.8	0	0	0	110.1	P292 V350 H351 Y352 D421 L427 I428 Y430	P292-F419 HydrophobicContact CG-CD2 4.06Å; P292-F419 HydrophobicContact CG-CE2 3.71Å; V350-F419 HydrophobicContact CG1-CD2 4.33Å; V350-F419 HydrophobicContact CG1-CE1 4.36Å; V350-F419 HydrophobicContact CG1-CE2 3.37Å; V350-F419 HydrophobicContact CG1-CZ 3.38Å; H351-F419 CarbonylContact O-C 3.09Å; H351-F419 WeakPolarHBondContact O-CA 3.4Å; Y352-F419 HydrophobicContact CD2-CB 3.94Å; Y352-F419 HydrophobicContact CD2-CD2 4.39Å; F419-D421 HydrophobicContact CE1-CB 3.75Å; F419-D421 HydrophobicContact CZ-CB 4.2Å; F419-L427 CarbonylContact O-C 3.56Å; F419-L427 WeakPolarHBondContact O-CA 3.37Å; F419-I428 HydrophobicContact CB-CB 4.36Å; F419-I428 HydrophobicContact CD1-CB 4.33Å; F419-I428 HydrophobicContact CD1-CD1 3.98Å; F419-I428 HydrophobicContact CD1-CG1 4.19Å; F419-I428 HydrophobicContact CE1-CD1 4.33Å; F419-I428 PolarHBondContact N-O 3.39Å; F419-I428 PolarHBondContact O-N 3.19Å; F419-Y430 HydrophobicContact CB-CD2 4.38Å; F419-Y430 HydrophobicContact CB-CE2 3.68Å; F419-Y430 HydrophobicContact CG-CE2 4.39Å
420	L	96.9	Very high	95.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.5	178.3	174.1	65.5	0	0	0	109.3	F346 V350 H351 W353 Y422 L426 L427 F445 V449	F346-L420 HydrophobicContact CB-CD2 4.03Å; F346-L420 HydrophobicContact CD2-CD2 3.7Å; F346-L420 HydrophobicContact CG-CD2 4.18Å; V350-L420 CarbonylContact C-O 3.54Å; V350-L420 VanDerWaalsContact CA-O 3.27Å; V350-L420 WeakPolarHBondContact CA-O 3.34Å; H351-L420 HydrophobicContact CB-CB 4.4Å; H351-L420 PolarHBondContact N-O 2.89Å; H351-L420 PolarHBondContact O-N 3.32Å; W353-L420 HydrophobicContact CH2-CB 4.49Å; W353-L420 HydrophobicContact CZ3-CB 4.23Å; L420-Y422 HydrophobicContact CD2-CD2 4.49Å; L420-L426 WeakPolarHBondContact CA-O 3.38Å; L420-L427 HydrophobicContact CB-CD1 4.17Å; L420-L427 HydrophobicContact CD1-CD1 4.25Å; L420-F445 HydrophobicContact CD1-CD2 4.1Å; L420-F445 HydrophobicContact CD1-CE2 3.58Å; L420-F445 HydrophobicContact CD1-CZ 4.08Å; L420-V449 HydrophobicContact CD2-CG2 3.64Å
421	D	95.6	Very high	95.6	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.07	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	88.2	164.2	-174.2	-25.6	0	0	0	107.2	V350 F419 P423 K424 G425 L426	V350-D421 HydrophobicContact CG1-CB 4.49Å; V350-D421 HydrophobicContact CG2-CB 4.42Å; F419-D421 HydrophobicContact CE1-CB 3.75Å; F419-D421 HydrophobicContact CZ-CB 4.2Å; D421-P423 WeakPolarHBondContact OD1-CD 3.33Å; D421-K424 HydrophobicContact CB-CB 4.37Å; D421-K424 PolarHBondContact O-N 2.82Å; D421-K424 WeakPolarHBondContact OD1-CB 3.39Å; D421-K424 WeakPolarHBondContact OD1-CG 3.28Å; D421-K424 PolarHBondContact OD1-N 3.26Å; D421-K424 VanDerWaalsContact OD1-N 3.12Å; D421-K424 WeakPolarHBondContact OD2-CD 3.28Å; D421-K424 WeakPolarHBondContact OD2-CE 3.45Å; D421-K424 WeakPolarHBondContact OD2-CG 3.41Å; D421-K424 IonicContact OD2-NZ 3.44Å; D421-K424 PolarHBondContact OD2-NZ 3.42Å; D421-G425 PolarHBondContact O-N 2.9Å; D421-L426 HydrophobicContact CB-CB 4.23Å; D421-L426 PolarHBondContact N-O 3.29Å; D421-L426 PolarHBondContact O-N 3.43Å
422	Y	94.9	Very high	95.8	Very high	31 Å²	31	33.1 Å²	33.1	12%	0.122	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-46.9	-174.8	-170.2	-70.7	0	0	0	111.7	F346 V347 G349 L420 K424 G425 F445 S447 V449	F346-Y422 WeakPolarHBondContact O-CE2 3.38Å; V347-Y422 WeakPolarHBondContact O-CD1 3.49Å; V347-Y422 WeakPolarHBondContact O-CE1 3.1Å; G349-Y422 WeakPolarHBondContact O-CB 3.28Å; G349-Y422 PolarHBondContact O-N 2.89Å; G349-Y422 VanDerWaalsContact O-N 3.09Å; L420-Y422 HydrophobicContact CD2-CD2 4.49Å; Y422-K424 VanDerWaalsContact C-N 3.33Å; Y422-K424 PolarHBondContact O-N 3.36Å; Y422-G425 PolarHBondContact O-N 3.4Å; Y422-G425 VanDerWaalsContact O-N 3.09Å; Y422-F445 HydrophobicContact CD2-CB 4.11Å; Y422-F445 HydrophobicContact CD2-CD2 4.39Å; Y422-F445 HydrophobicContact CE1-CB 4.24Å; Y422-F445 HydrophobicContact CE2-CB 3.62Å; Y422-F445 HydrophobicContact CE2-CG 4.4Å; Y422-F445 PolarHBondContact OH-O 2.75Å; Y422-S447 PolarHBondContact OH-O 2.64Å; Y422-S447 VanDerWaalsContact OH-O 3.1Å; Y422-V449 HydrophobicContact CD2-CG2 4.14Å; Y422-V449 HydrophobicContact CE2-CG2 4.17Å
423	P	93.9	Very high	95.8	Very high	95 Å²	95	32.7 Å²	32.7	62%	0.617	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-37.2	178.3	-25.3	34.8	0	0	0	114.4	G349 D421 G425	G349-P423 WeakPolarHBondContact O-CD 3.29Å; D421-P423 WeakPolarHBondContact OD1-CD 3.33Å; P423-G425 VanDerWaalsContact C-N 3.33Å
424	K	92.4	Very high	95.7	Very high	142 Å²	142	37.1 Å²	37.1	62%	0.617	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.2	177.4	-64.3	-171.8	-163.1	148.7	0	113.7	D421 Y422 L426	D421-K424 HydrophobicContact CB-CB 4.37Å; D421-K424 PolarHBondContact O-N 2.82Å; D421-K424 WeakPolarHBondContact OD1-CB 3.39Å; D421-K424 WeakPolarHBondContact OD1-CG 3.28Å; D421-K424 PolarHBondContact OD1-N 3.26Å; D421-K424 VanDerWaalsContact OD1-N 3.12Å; D421-K424 WeakPolarHBondContact OD2-CD 3.28Å; D421-K424 WeakPolarHBondContact OD2-CE 3.45Å; D421-K424 WeakPolarHBondContact OD2-CG 3.41Å; D421-K424 IonicContact OD2-NZ 3.44Å; D421-K424 PolarHBondContact OD2-NZ 3.42Å; Y422-K424 VanDerWaalsContact C-N 3.33Å; Y422-K424 PolarHBondContact O-N 3.36Å; K424-L426 HydrophobicContact CB-CD1 4.03Å; K424-L426 HydrophobicContact CB-CG 4.01Å; K424-L426 HydrophobicContact CD-CD1 4.36Å
425	G	95	Very high	95.6	Very high	5 Å²	5	36 Å²	36	5%	0.052	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	38.7	-176.5	0	0	0	0	0	112.9	D421 Y422 P423 R442 E443	D421-G425 PolarHBondContact O-N 2.9Å; Y422-G425 PolarHBondContact O-N 3.4Å; Y422-G425 VanDerWaalsContact O-N 3.09Å; P423-G425 VanDerWaalsContact C-N 3.33Å; G425-R442 CarbonylContact O-C 3.59Å; G425-R442 WeakPolarHBondContact O-CA 3.2Å; G425-E443 CarbonylContact C-O 3.49Å; G425-E443 WeakPolarHBondContact CA-O 3.35Å; G425-E443 PolarHBondContact O-N 3.11Å
426	L	96.4	Very high	95.5	Very high	29 Å²	29	36 Å²	36	15%	0.152	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128	179.9	-58.4	174	0	0	0	110.2	L420 D421 K424 I428 T440 R442	L420-L426 WeakPolarHBondContact CA-O 3.38Å; D421-L426 HydrophobicContact CB-CB 4.23Å; D421-L426 PolarHBondContact N-O 3.29Å; D421-L426 PolarHBondContact O-N 3.43Å; K424-L426 HydrophobicContact CB-CD1 4.03Å; K424-L426 HydrophobicContact CB-CG 4.01Å; K424-L426 HydrophobicContact CD-CD1 4.36Å; L426-I428 HydrophobicContact CB-CD1 4.5Å; L426-I428 HydrophobicContact CB-CG1 4.37Å; L426-T440 HydrophobicContact CD2-CG2 4.29Å; L426-R442 HydrophobicContact CD2-CB 4.49Å; L426-R442 HydrophobicContact CD2-CG 3.82Å
427	L	98.2	Very high	95.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.9	165.8	178.3	75.1	0	0	0	108.2	V367 Y387 V418 F419 L420 F429 T440 Y441 F445	V367-L427 HydrophobicContact CG1-CD1 3.97Å; V367-L427 HydrophobicContact CG1-CD2 4.48Å; V367-L427 HydrophobicContact CG2-CD1 4.35Å; V367-L427 HydrophobicContact CG2-CD2 3.62Å; Y387-L427 WeakPolarHBondContact O-CD2 3.28Å; V418-L427 HydrophobicContact CG1-CD1 3.66Å; F419-L427 CarbonylContact O-C 3.56Å; F419-L427 WeakPolarHBondContact O-CA 3.37Å; L420-L427 HydrophobicContact CB-CD1 4.17Å; L420-L427 HydrophobicContact CD1-CD1 4.25Å; L427-F429 HydrophobicContact CD2-CE2 3.74Å; L427-F429 HydrophobicContact CD2-CZ 3.78Å; L427-F429 HydrophobicContact CG-CE2 3.84Å; L427-F429 HydrophobicContact CG-CZ 4.08Å; L427-T440 CarbonylContact O-C 3.5Å; L427-T440 WeakPolarHBondContact O-CA 3.26Å; L427-Y441 HydrophobicContact CD2-CD2 4.06Å; L427-Y441 PolarHBondContact N-O 3.05Å; L427-Y441 PolarHBondContact O-N 3.34Å; L427-F445 HydrophobicContact CB-CZ 4.11Å
428	I	98.1	Very high	95.5	Very high	20 Å²	20	44 Å²	44	10%	0.103	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.9	-173	-46.7	176.3	0	0	0	109.4	F419 L426 Y430 Y439 T440	F419-I428 HydrophobicContact CB-CB 4.36Å; F419-I428 HydrophobicContact CD1-CB 4.33Å; F419-I428 HydrophobicContact CD1-CD1 3.98Å; F419-I428 HydrophobicContact CD1-CG1 4.19Å; F419-I428 HydrophobicContact CE1-CD1 4.33Å; F419-I428 PolarHBondContact N-O 3.39Å; F419-I428 PolarHBondContact O-N 3.19Å; L426-I428 HydrophobicContact CB-CD1 4.5Å; L426-I428 HydrophobicContact CB-CG1 4.37Å; I428-Y430 HydrophobicContact CB-CE2 3.75Å; I428-Y430 HydrophobicContact CG2-CD2 4.22Å; I428-Y430 HydrophobicContact CG2-CE1 3.85Å; I428-Y430 HydrophobicContact CG2-CE2 3.5Å; I428-Y430 VanDerWaalsContact CG2-CE2 3.5Å; I428-Y430 WeakPolarHBondContact CG2-OH 3.34Å; I428-Y439 WeakPolarHBondContact CA-O 3.37Å; I428-T440 HydrophobicContact CG1-CG2 3.89Å; I428-T440 WeakPolarHBondContact CG2-OG1 3.32Å
429	F	98.4	Very high	95.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.4	175.5	-63.5	-91	0	0	0	110.1	I389 V416 G417 V418 L427 L438 Y439 Y441	I389-F429 HydrophobicContact CD1-CB 3.92Å; I389-F429 HydrophobicContact CD1-CD1 3.67Å; I389-F429 HydrophobicContact CD1-CE1 4.41Å; I389-F429 HydrophobicContact CD1-CG 3.92Å; I389-F429 HydrophobicContact CG1-CD1 3.58Å; I389-F429 HydrophobicContact CG1-CE1 3.83Å; I389-F429 HydrophobicContact CG1-CG 4.02Å; I389-F429 HydrophobicContact CG1-CZ 4.47Å; I389-F429 HydrophobicContact CG2-CB 4.37Å; I389-F429 HydrophobicContact CG2-CD1 4.19Å; I389-F429 HydrophobicContact CG2-CD2 3.74Å; I389-F429 HydrophobicContact CG2-CE1 4.42Å; I389-F429 HydrophobicContact CG2-CE2 4Å; I389-F429 HydrophobicContact CG2-CG 3.83Å; I389-F429 HydrophobicContact CG2-CZ 4.33Å; V416-F429 HydrophobicContact CG1-CD1 4.22Å; G417-F429 WeakPolarHBondContact O-CA 3.24Å; V418-F429 HydrophobicContact CB-CE1 4.46Å; V418-F429 HydrophobicContact CG1-CD1 4.35Å; V418-F429 HydrophobicContact CG1-CE1 3.93Å; V418-F429 HydrophobicContact CG1-CZ 4.38Å; V418-F429 HydrophobicContact CG2-CD1 3.94Å; V418-F429 HydrophobicContact CG2-CE1 3.85Å; L427-F429 HydrophobicContact CD2-CE2 3.74Å; L427-F429 HydrophobicContact CD2-CZ 3.78Å; L427-F429 HydrophobicContact CG-CE2 3.84Å; L427-F429 HydrophobicContact CG-CZ 4.08Å; F429-L438 HydrophobicContact CB-CB 4.13Å; F429-L438 HydrophobicContact CB-CD1 4.48Å; F429-L438 WeakPolarHBondContact O-CB 3.28Å; F429-L438 PolarHBondContact O-N 2.84Å; F429-Y439 PolarHBondContact N-O 3.47Å; F429-Y439 PolarHBondContact O-N 2.97Å; F429-Y441 HydrophobicContact CD2-CD2 4.5Å; F429-Y441 AromaticContact CE2-CD2 3.79Å; F429-Y441 HydrophobicContact CE2-CD2 3.79Å; F429-Y441 AromaticContact CE2-CE2 3.75Å; F429-Y441 HydrophobicContact CE2-CE2 3.75Å
430	Y	96.8	Very high	95.5	Very high	47 Å²	47	45.5 Å²	45.5	18%	0.184	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.8	178.9	-56.2	-88.8	0	0	0	110.7	G417 F419 I428 A432 M435 S436 L438	G417-Y430 PolarHBondContact N-O 3.12Å; G417-Y430 PolarHBondContact O-N 2.93Å; F419-Y430 HydrophobicContact CB-CD2 4.38Å; F419-Y430 HydrophobicContact CB-CE2 3.68Å; F419-Y430 HydrophobicContact CG-CE2 4.39Å; I428-Y430 HydrophobicContact CB-CE2 3.75Å; I428-Y430 HydrophobicContact CG2-CD2 4.22Å; I428-Y430 HydrophobicContact CG2-CE1 3.85Å; I428-Y430 HydrophobicContact CG2-CE2 3.5Å; I428-Y430 VanDerWaalsContact CG2-CE2 3.5Å; I428-Y430 WeakPolarHBondContact CG2-OH 3.34Å; Y430-A432 PolarHBondContact O-N 2.74Å; Y430-M435 HydrophobicContact CG-CE 4.33Å; Y430-S436 CarbonylContact C-O 3.15Å; Y430-S436 VanDerWaalsContact CA-O 3.26Å; Y430-S436 WeakPolarHBondContact CA-O 3.33Å; Y430-L438 WeakPolarHBondContact O-CD1 3.36Å
431	N	95.6	Very high	95.6	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.059	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	113	152.8	177.1	8.7	0	0	0	106.5	L413 D433 D434 M435 S436 L438	L413-N431 HydrophobicContact CD2-CB 3.76Å; N431-D433 PolarHBondContact O-N 3.08Å; N431-D433 PolarHBondContact OD1-N 3.19Å; N431-D433 PolarHBondContact OD1-OD2 3.46Å; N431-D434 VanDerWaalsContact CB-OD1 3.3Å; N431-D434 WeakPolarHBondContact CB-OD1 3.28Å; N431-D434 VanDerWaalsContact CG-OD1 3.31Å; N431-D434 PolarHBondContact ND2-OD1 2.85Å; N431-M435 WeakPolarHBondContact O-CA 3.33Å; N431-M435 PolarHBondContact O-N 3.33Å; N431-S436 WeakPolarHBondContact CB-OG 3.16Å; N431-S436 PolarHBondContact N-O 3.39Å; N431-L438 HydrophobicContact CB-CD2 4.38Å
432	A	93.9	Very high	95.6	Very high	11 Å²	11	54.1 Å²	54.1	9%	0.091	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.5	-172.1	0	0	0	0	0	113.3	E354 K415 Y430	E354-A432 HydrophobicContact CG-CB 3.93Å; K415-A432 HydrophobicContact CB-CB 3.96Å; K415-A432 HydrophobicContact CD-CB 3.73Å; K415-A432 HydrophobicContact CG-CB 3.89Å; K415-A432 PolarHBondContact O-N 3.13Å; Y430-A432 PolarHBondContact O-N 2.74Å
433	D	91.6	Very high	95.4	Very high	82 Å²	82	56.4 Å²	56.4	44%	0.439	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-36.9	-179.9	-57.5	-50	0	0	0	112.3	E414 K415 N431	E414-D433 WeakPolarHBondContact CB-OD2 3.21Å; K415-D433 PolarHBondContact N-OD2 2.92Å; N431-D433 PolarHBondContact O-N 3.08Å; N431-D433 PolarHBondContact OD1-N 3.19Å; N431-D433 PolarHBondContact OD1-OD2 3.46Å
434	D	92.3	Very high	95.2	Very high	93 Å²	93	60.6 Å²	60.6	50%	0.497	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	2.8	179.9	69.5	-0.3	0	0	0	113.9	N431 S436	N431-D434 VanDerWaalsContact CB-OD1 3.3Å; N431-D434 WeakPolarHBondContact CB-OD1 3.28Å; N431-D434 VanDerWaalsContact CG-OD1 3.31Å; N431-D434 PolarHBondContact ND2-OD1 2.85Å; D434-S436 VanDerWaalsContact CG-OG 3.31Å; D434-S436 PolarHBondContact O-N 2.87Å; D434-S436 VanDerWaalsContact O-N 3.13Å; D434-S436 WeakPolarHBondContact OD1-CB 3.35Å; D434-S436 PolarHBondContact OD1-N 2.94Å; D434-S436 PolarHBondContact OD1-OG 2.85Å; D434-S436 PolarHBondContact OD2-OG 3.27Å
435	M	92.1	Very high	95	Very high	99 Å²	99	54.5 Å²	54.5	49%	0.488	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	22.5	-174.2	-61.2	-59.1	-63.8	0	0	113.9	Y430 N431	Y430-M435 HydrophobicContact CG-CE 4.33Å; N431-M435 WeakPolarHBondContact O-CA 3.33Å; N431-M435 PolarHBondContact O-N 3.33Å
436	S	94.6	Very high	94.6	Very high	40 Å²	40	60.3 Å²	60.3	28%	0.28	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.8	174.8	63.2	0	0	0	0	110.7	Y430 N431 D434	Y430-S436 CarbonylContact C-O 3.15Å; Y430-S436 VanDerWaalsContact CA-O 3.26Å; Y430-S436 WeakPolarHBondContact CA-O 3.33Å; N431-S436 WeakPolarHBondContact CB-OG 3.16Å; N431-S436 PolarHBondContact N-O 3.39Å; D434-S436 VanDerWaalsContact CG-OG 3.31Å; D434-S436 PolarHBondContact O-N 2.87Å; D434-S436 VanDerWaalsContact O-N 3.13Å; D434-S436 WeakPolarHBondContact OD1-CB 3.35Å; D434-S436 PolarHBondContact OD1-N 2.94Å; D434-S436 PolarHBondContact OD1-OG 2.85Å; D434-S436 PolarHBondContact OD2-OG 3.27Å
437	W	96.8	Very high	94.3	Very high	157 Å²	157	60 Å²	60	60%	0.595	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.6	179.9	173.5	87.1	0	0	0	111.3	T440	W437-T440 PolarHBondContact NE1-OG1 3.47Å
438	L	97.1	Very high	94.2	Very high	12 Å²	12	63.3 Å²	63.3	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-53.5	175.1	-59.2	177	0	0	0	112	I389 V409 L413 F429 Y430 N431	I389-L438 HydrophobicContact CD1-CD1 4.15Å; V409-L438 HydrophobicContact CG1-CD2 4.37Å; V409-L438 HydrophobicContact CG2-CD2 4.2Å; L413-L438 HydrophobicContact CD1-CD1 3.77Å; L413-L438 HydrophobicContact CD2-CD1 4.35Å; L413-L438 HydrophobicContact CD2-CD2 4.31Å; F429-L438 HydrophobicContact CB-CB 4.13Å; F429-L438 HydrophobicContact CB-CD1 4.48Å; F429-L438 WeakPolarHBondContact O-CB 3.28Å; F429-L438 PolarHBondContact O-N 2.84Å; Y430-L438 WeakPolarHBondContact O-CD1 3.36Å; N431-L438 HydrophobicContact CB-CD2 4.38Å
439	Y	98	Very high	94.2	Very high	44 Å²	44	62.4 Å²	62.4	17%	0.173	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	157.5	-176.6	-165.2	-101.9	0	0	0	112.4	A399 T401 T405 L407 I428 F429 Y441	A399-Y439 HydrophobicContact CB-CD1 3.57Å; A399-Y439 HydrophobicContact CB-CD2 3.83Å; A399-Y439 HydrophobicContact CB-CE1 3.66Å; A399-Y439 HydrophobicContact CB-CE2 3.9Å; A399-Y439 HydrophobicContact CB-CG 3.67Å; T401-Y439 HydrophobicContact CG2-CE1 4.19Å; T401-Y439 WeakPolarHBondContact CG2-OH 3.5Å; T405-Y439 HydrophobicContact CG2-CE2 4.1Å; L407-Y439 HydrophobicContact CD2-CD2 3.59Å; L407-Y439 HydrophobicContact CD2-CG 3.96Å; I428-Y439 WeakPolarHBondContact CA-O 3.37Å; F429-Y439 PolarHBondContact N-O 3.47Å; F429-Y439 PolarHBondContact O-N 2.97Å; Y439-Y441 AromaticContact CD1-CD2 3.84Å; Y439-Y441 HydrophobicContact CD1-CD2 3.84Å; Y439-Y441 AromaticContact CD1-CE2 3.7Å; Y439-Y441 HydrophobicContact CD1-CE2 3.7Å; Y439-Y441 HydrophobicContact CD1-CG 4.38Å; Y439-Y441 AromaticContact CE1-CD1 3.94Å; Y439-Y441 HydrophobicContact CE1-CD1 3.94Å; Y439-Y441 AromaticContact CE1-CD2 3.84Å; Y439-Y441 HydrophobicContact CE1-CD2 3.84Å; Y439-Y441 AromaticContact CE1-CE1 3.84Å; Y439-Y441 HydrophobicContact CE1-CE1 3.84Å; Y439-Y441 AromaticContact CE1-CE2 3.76Å; Y439-Y441 HydrophobicContact CE1-CE2 3.76Å; Y439-Y441 AromaticContact CE1-CG 3.95Å; Y439-Y441 HydrophobicContact CE1-CG 3.95Å; Y439-Y441 AromaticContact CE1-CZ 3.76Å
440	T	97.7	Very high	94.2	Very high	24 Å²	24	63.4 Å²	63.4	15%	0.147	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	125.3	173.4	-61.3	0	0	0	0	111.7	L426 L427 I428 W437 R442	L426-T440 HydrophobicContact CD2-CG2 4.29Å; L427-T440 CarbonylContact O-C 3.5Å; L427-T440 WeakPolarHBondContact O-CA 3.26Å; I428-T440 HydrophobicContact CG1-CG2 3.89Å; I428-T440 WeakPolarHBondContact CG2-OG1 3.32Å; W437-T440 PolarHBondContact NE1-OG1 3.47Å; T440-R442 HydrophobicContact CG2-CG 4.02Å
441	Y	97.7	Very high	94.3	Very high	7 Å²	7	61.1 Å²	61.1	3%	0.027	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	139.8	160.8	-65.4	-87.6	0	0	0	110	P382 Y387 C388 C400 T401 L427 F429 Y439	P382-Y441 HydrophobicContact CG-CD1 4.34Å; P382-Y441 HydrophobicContact CG-CE1 3.86Å; Y387-Y441 AromaticContact CD1-CD1 3.85Å; Y387-Y441 HydrophobicContact CD1-CD1 3.85Å; Y387-Y441 HydrophobicContact CD1-CE1 4.32Å; Y387-Y441 HydrophobicContact CD1-CG 4.11Å; C388-Y441 PolarHBondContact O-OH 3.47Å; C400-Y441 PolarHBondContact N-OH 3.44Å; T401-Y441 HydrophobicContact CG2-CE1 3.83Å; L427-Y441 HydrophobicContact CD2-CD2 4.06Å; L427-Y441 PolarHBondContact N-O 3.05Å; L427-Y441 PolarHBondContact O-N 3.34Å; F429-Y441 HydrophobicContact CD2-CD2 4.5Å; F429-Y441 AromaticContact CE2-CD2 3.79Å; F429-Y441 HydrophobicContact CE2-CD2 3.79Å; F429-Y441 AromaticContact CE2-CE2 3.75Å; F429-Y441 HydrophobicContact CE2-CE2 3.75Å; Y439-Y441 AromaticContact CD1-CD2 3.84Å; Y439-Y441 HydrophobicContact CD1-CD2 3.84Å; Y439-Y441 AromaticContact CD1-CE2 3.7Å; Y439-Y441 HydrophobicContact CD1-CE2 3.7Å; Y439-Y441 HydrophobicContact CD1-CG 4.38Å; Y439-Y441 AromaticContact CE1-CD1 3.94Å; Y439-Y441 HydrophobicContact CE1-CD1 3.94Å; Y439-Y441 AromaticContact CE1-CD2 3.84Å; Y439-Y441 HydrophobicContact CE1-CD2 3.84Å; Y439-Y441 AromaticContact CE1-CE1 3.84Å; Y439-Y441 HydrophobicContact CE1-CE1 3.84Å; Y439-Y441 AromaticContact CE1-CE2 3.76Å; Y439-Y441 HydrophobicContact CE1-CE2 3.76Å; Y439-Y441 AromaticContact CE1-CG 3.95Å; Y439-Y441 HydrophobicContact CE1-CG 3.95Å; Y439-Y441 AromaticContact CE1-CZ 3.76Å
442	R	95.7	Very high	94.4	Very high	188 Å²	188	60.6 Å²	60.6	71%	0.709	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	93.4	178.4	-63.8	-175.2	176.8	-90.7	-2.1	109	G425 L426 T440	G425-R442 CarbonylContact O-C 3.59Å; G425-R442 WeakPolarHBondContact O-CA 3.2Å; L426-R442 HydrophobicContact CD2-CB 4.49Å; L426-R442 HydrophobicContact CD2-CG 3.82Å; T440-R442 HydrophobicContact CG2-CG 4.02Å
443	E	90.3	Very high	94.6	Very high	79 Å²	79	60.2 Å²	60.2	37%	0.369	29%	0.285	S	S	.	.			trans	-142.2	137.4	-167.2	-69.7	-67.3	173.1	0	0	111.9	Y387 G425 F445	Y387-E443 HydrophobicContact CD1-CG 4.16Å; Y387-E443 HydrophobicContact CE1-CB 4.15Å; Y387-E443 HydrophobicContact CE1-CG 3.54Å; G425-E443 CarbonylContact C-O 3.49Å; G425-E443 WeakPolarHBondContact CA-O 3.35Å; G425-E443 PolarHBondContact O-N 3.11Å; E443-F445 HydrophobicContact CB-CE1 4.16Å; E443-F445 HydrophobicContact CB-CZ 4.25Å; E443-F445 PolarHBondContact O-N 3.41Å; E443-F445 VanDerWaalsContact O-N 3.15Å
444	K	90.1	Very high	94.8	Very high	183 Å²	183	56.6 Å²	56.6	80%	0.796	27%	0.266	S	S	*	.			trans	-83.2	94.4	175.6	-170.7	177.6	-179.1	-179.5	0	109.2	T446	K444-T446 PolarHBondContact O-N 2.99Å; K444-T446 VanDerWaalsContact O-N 3.15Å
445	F	89.1	Confident	94.9	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.061	24%	0.243	C	C	.	.			trans	-64.1	112.9	176.2	-53.9	-68.9	0	0	0	110.5	Y387 L420 Y422 L427 E443 V449	Y387-F445 AromaticContact CD2-CE1 3.92Å; Y387-F445 HydrophobicContact CD2-CE1 3.92Å; Y387-F445 HydrophobicContact CE2-CD1 4.27Å; Y387-F445 AromaticContact CE2-CE1 3.85Å; Y387-F445 HydrophobicContact CE2-CE1 3.85Å; Y387-F445 HydrophobicContact CG-CE1 4.41Å; L420-F445 HydrophobicContact CD1-CD2 4.1Å; L420-F445 HydrophobicContact CD1-CE2 3.58Å; L420-F445 HydrophobicContact CD1-CZ 4.08Å; Y422-F445 HydrophobicContact CD2-CB 4.11Å; Y422-F445 HydrophobicContact CD2-CD2 4.39Å; Y422-F445 HydrophobicContact CE1-CB 4.24Å; Y422-F445 HydrophobicContact CE2-CB 3.62Å; Y422-F445 HydrophobicContact CE2-CG 4.4Å; Y422-F445 PolarHBondContact OH-O 2.75Å; L427-F445 HydrophobicContact CB-CZ 4.11Å; E443-F445 HydrophobicContact CB-CE1 4.16Å; E443-F445 HydrophobicContact CB-CZ 4.25Å; E443-F445 PolarHBondContact O-N 3.41Å; E443-F445 VanDerWaalsContact O-N 3.15Å; F445-V449 HydrophobicContact CB-CG1 4.37Å; F445-V449 HydrophobicContact CD1-CG1 3.83Å; F445-V449 HydrophobicContact CE1-CG1 4.5Å; F445-V449 HydrophobicContact CG-CG1 4.26Å
446	T	85.6	Confident	94.9	Very high	126 Å²	126	47.7 Å²	47.7	77%	0.773	22%	0.222	S	C	*	.			trans	-97.2	-18.9	179.7	51.9	0	0	0	0	113	K444	K444-T446 PolarHBondContact O-N 2.99Å; K444-T446 VanDerWaalsContact O-N 3.15Å
447	S	90.9	Very high	94.6	Very high	24 Å²	24	51 Å²	51	17%	0.168	23%	0.233	C	C	.	.	S	Bend	trans	-120.8	161.2	-179.9	58	0	0	0	0	111	N369 Y422 V449	N369-S447 PolarHBondContact OD1-OG 3.11Å; Y422-S447 PolarHBondContact OH-O 2.64Å; Y422-S447 VanDerWaalsContact OH-O 3.1Å; S447-V449 PolarHBondContact O-N 3.04Å
448	K	96.9	Very high	94	Very high	69 Å²	69	44.2 Å²	44.2	30%	0.3	21%	0.21	S	C	.	.			trans	-53.1	133.9	170.3	-171.7	172	-174.4	-179.7	0	110.6	G345 F346 V347 E370 F450	G345-K448 VanDerWaalsContact CA-CE 3.46Å; G345-K448 WeakPolarHBondContact O-CE 3.32Å; F346-K448 WeakPolarHBondContact O-CA 3.25Å; V347-K448 HydrophobicContact CG1-CB 3.63Å; V347-K448 HydrophobicContact CG1-CD 4.05Å; V347-K448 HydrophobicContact CG1-CG 3.68Å; E370-K448 HydrophobicContact CB-CB 4.24Å; E370-K448 WeakPolarHBondContact CB-O 3.33Å; E370-K448 PolarHBondContact N-O 3.12Å; K448-F450 HydrophobicContact CD-CE2 4.01Å; K448-F450 HydrophobicContact CD-CZ 3.81Å; K448-F450 HydrophobicContact CG-CE2 3.96Å; K448-F450 HydrophobicContact CG-CZ 4.19Å
449	V	97.4	Very high	92.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.8	177.3	-61.5	0	0	0	0	110.7	G345 F346 V367 A368 N369 L420 Y422 F445 S447	G345-V449 CarbonylContact C-O 3.54Å; G345-V449 WeakPolarHBondContact CA-O 3.09Å; F346-V449 HydrophobicContact CB-CG2 4.19Å; F346-V449 HydrophobicContact CD2-CG2 4.5Å; F346-V449 PolarHBondContact N-O 2.97Å; F346-V449 PolarHBondContact O-N 3.48Å; V367-V449 HydrophobicContact CB-CB 4.36Å; V367-V449 HydrophobicContact CG2-CB 4.47Å; A368-V449 CarbonylContact O-C 3.41Å; A368-V449 WeakPolarHBondContact O-CA 3.32Å; N369-V449 WeakPolarHBondContact OD1-CG1 3.4Å; L420-V449 HydrophobicContact CD2-CG2 3.64Å; Y422-V449 HydrophobicContact CD2-CG2 4.14Å; Y422-V449 HydrophobicContact CE2-CG2 4.17Å; F445-V449 HydrophobicContact CB-CG1 4.37Å; F445-V449 HydrophobicContact CD1-CG1 3.83Å; F445-V449 HydrophobicContact CE1-CG1 4.5Å; F445-V449 HydrophobicContact CG-CG1 4.26Å; S447-V449 PolarHBondContact O-N 3.04Å
450	F	98.1	Very high	91.6	Very high	21 Å²	21	51.6 Å²	51.6	9%	0.092	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.7	177.4	-68.7	-93.2	0	0	0	109.8	L341 G342 V367 A368 E370 K448 Y452	L341-F450 HydrophobicContact CB-CB 4.19Å; L341-F450 HydrophobicContact CD1-CB 4.26Å; L341-F450 HydrophobicContact CD1-CG 4.42Å; L341-F450 HydrophobicContact CD2-CB 4.29Å; L341-F450 HydrophobicContact CG-CB 4.48Å; G342-F450 WeakPolarHBondContact O-CD1 3.16Å; V367-F450 CarbonylContact C-O 3.53Å; V367-F450 WeakPolarHBondContact CA-O 3.42Å; V367-F450 WeakPolarHBondContact CB-O 3.38Å; A368-F450 PolarHBondContact N-O 3.13Å; A368-F450 PolarHBondContact O-N 2.67Å; E370-F450 HydrophobicContact CB-CD2 4.28Å; E370-F450 HydrophobicContact CB-CE2 3.75Å; E370-F450 HydrophobicContact CG-CE2 3.82Å; K448-F450 HydrophobicContact CD-CE2 4.01Å; K448-F450 HydrophobicContact CD-CZ 3.81Å; K448-F450 HydrophobicContact CG-CE2 3.96Å; K448-F450 HydrophobicContact CG-CZ 4.19Å; F450-Y452 PolarHBondContact O-N 2.89Å
451	P	97.9	Very high	90.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	135.6	163.6	-26.4	36.2	0	0	0	110.5	L297 L341 G342 E344 F346 W353 F453	L297-P451 HydrophobicContact CD1-CB 4.12Å; L297-P451 HydrophobicContact CD1-CG 3.78Å; L297-P451 HydrophobicContact CD2-CG 4.47Å; L341-P451 CarbonylContact C-O 3.49Å; L341-P451 VanDerWaalsContact CA-O 3.31Å; L341-P451 WeakPolarHBondContact CA-O 3.25Å; G342-P451 PolarHBondContact N-O 3.16Å; E344-P451 VanDerWaalsContact O-CD 3.25Å; E344-P451 WeakPolarHBondContact O-CD 3.45Å; F346-P451 HydrophobicContact CE2-CG 3.71Å; F346-P451 HydrophobicContact CZ-CG 4.28Å; W353-P451 HydrophobicContact CH2-CG 4.29Å; W353-P451 HydrophobicContact CZ2-CB 3.96Å; W353-P451 HydrophobicContact CZ2-CG 4.08Å; P451-F453 HydrophobicContact CB-CE2 3.5Å; P451-F453 VanDerWaalsContact CB-CE2 3.5Å; P451-F453 HydrophobicContact CB-CZ 3.55Å
452	Y	98.2	Very high	89.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132	-177	176.5	-89.7	0	0	0	109.9	F334 S339 L341 M364 I365 G366 A368 I380 F386 C388 F450	F334-Y452 HydrophobicContact CE2-CE2 4.49Å; F334-Y452 HydrophobicContact CZ-CD2 4.49Å; F334-Y452 HydrophobicContact CZ-CE2 4.07Å; S339-Y452 WeakPolarHBondContact CB-OH 3.46Å; S339-Y452 VanDerWaalsContact OG-CZ 3.29Å; S339-Y452 PolarHBondContact OG-OH 2.86Å; L341-Y452 HydrophobicContact CD2-CD2 3.81Å; M364-Y452 HydrophobicContact CB-CE1 4.34Å; M364-Y452 HydrophobicContact CG-CE1 4.04Å; M364-Y452 HydrophobicContact SD-CE1 3.81Å; I365-Y452 WeakPolarHBondContact CA-O 3.49Å; G366-Y452 PolarHBondContact N-O 2.77Å; G366-Y452 PolarHBondContact O-N 3.09Å; A368-Y452 HydrophobicContact CB-CD2 4.1Å; A368-Y452 HydrophobicContact CB-CG 4.47Å; I380-Y452 WeakPolarHBondContact CD1-OH 3.28Å; F386-Y452 HydrophobicContact CD1-CD2 4.18Å; F386-Y452 HydrophobicContact CD1-CE2 4.14Å; F386-Y452 AromaticContact CE1-CD2 3.97Å; F386-Y452 HydrophobicContact CE1-CD2 3.97Å; F386-Y452 AromaticContact CE1-CE2 3.73Å; F386-Y452 HydrophobicContact CE1-CE2 3.73Å; C388-Y452 VanDerWaalsContact SG-CD1 3.59Å; F450-Y452 PolarHBondContact O-N 2.89Å
453	F	98.1	Very high	88.8	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.009	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.8	-178.5	-47	-88.5	0	0	0	110.8	L297 L299 S339 V340 V355 P451 L468 I470	L297-F453 HydrophobicContact CD1-CZ 4.42Å; L299-F453 HydrophobicContact CD2-CD2 3.29Å; L299-F453 HydrophobicContact CD2-CE2 3.5Å; L299-F453 HydrophobicContact CD2-CG 3.99Å; L299-F453 HydrophobicContact CD2-CZ 4.35Å; S339-F453 CarbonylContact C-O 3.55Å; S339-F453 VanDerWaalsContact CA-O 3.3Å; S339-F453 WeakPolarHBondContact CA-O 3.41Å; S339-F453 WeakPolarHBondContact CB-O 3.46Å; V340-F453 HydrophobicContact CG1-CB 4.05Å; V340-F453 PolarHBondContact N-O 3.47Å; V340-F453 PolarHBondContact O-N 2.98Å; V355-F453 HydrophobicContact CG2-CD1 4.18Å; V355-F453 HydrophobicContact CG2-CE1 3.66Å; P451-F453 HydrophobicContact CB-CE2 3.5Å; P451-F453 VanDerWaalsContact CB-CE2 3.5Å; P451-F453 HydrophobicContact CB-CZ 3.55Å; F453-L468 HydrophobicContact CB-CD1 4.25Å; F453-I470 HydrophobicContact CE1-CG1 4.32Å; F453-I470 HydrophobicContact CE2-CD1 4.43Å; F453-I470 HydrophobicContact CZ-CD1 4.08Å; F453-I470 HydrophobicContact CZ-CG1 4.32Å
454	S	96.8	Very high	88.8	Confident	7 Å²	7	51 Å²	51	5%	0.049	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	113.9	168.6	-172.9	0	0	0	0	109.1	V338 S339 W363 M364 G456	V338-S454 PolarHBondContact O-OG 3.01Å; S339-S454 VanDerWaalsContact OG-CB 3.24Å; S339-S454 WeakPolarHBondContact OG-CB 3.15Å; S339-S454 PolarHBondContact OG-OG 2.78Å; W363-S454 CarbonylContact C-O 3.58Å; W363-S454 VanDerWaalsContact CA-O 3.24Å; W363-S454 WeakPolarHBondContact CA-O 3.3Å; W363-S454 WeakPolarHBondContact CB-O 3.47Å; M364-S454 PolarHBondContact N-O 2.89Å; M364-S454 PolarHBondContact O-N 2.54Å; S454-G456 PolarHBondContact O-N 2.79Å
455	P	94.8	Very high	88.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.262	C	S	.	.			trans	-73.1	-1	176.1	31.4	-36.1	0	0	0	112.9	L308 V317 K360 N464 L468	L308-P455 HydrophobicContact CD2-CG 3.5Å; L308-P455 VanDerWaalsContact CD2-CG 3.5Å; V317-P455 HydrophobicContact CG2-CG 4.29Å; K360-P455 WeakPolarHBondContact CE-O 3.2Å; K360-P455 PolarHBondContact NZ-O 3.35Å; P455-N464 PolarHBondContact O-ND2 3.23Å; P455-L468 HydrophobicContact CB-CD1 4.1Å; P455-L468 HydrophobicContact CB-CG 4.06Å
456	G	91.4	Very high	88.8	Confident	5 Å²	5	48.3 Å²	48.3	5%	0.052	28%	0.279	C	S	.	.			trans	66.8	173.2	-169.1	0	0	0	0	0	112.3	S454	S454-G456 PolarHBondContact O-N 2.79Å
457	Q	89.1	Confident	89.2	Confident	108 Å²	108	44.1 Å²	44.1	51%	0.505	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-83.3	148.8	178	-64.6	178	26.7	0	0	110.3	Y319 V338 N464	Y319-Q457 HydrophobicContact CE2-CG 4.22Å; V338-Q457 HydrophobicContact CG2-CG 4.05Å; Q457-N464 PolarHBondContact O-ND2 3.22Å
458	S	82.5	Confident	89.4	Confident	16 Å²	16	43.1 Å²	43.1	11%	0.112	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-83.6	136.3	166.2	-54.8	0	0	0	0	109.8	Y319 N321 K463 N464 V465	Y319-S458 WeakPolarHBondContact CD1-OG 3.24Å; N321-S458 WeakPolarHBondContact OD1-CB 3.43Å; S458-K463 WeakPolarHBondContact CA-O 3.15Å; S458-N464 PolarHBondContact OG-O 3.02Å; S458-V465 WeakPolarHBondContact OG-CA 3.19Å
459	H	75.4	Confident	89.3	Confident	89 Å²	89	45.5 Å²	45.5	41%	0.412	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-86.7	150.2	178.5	-61.5	-82.6	0	0	0	110.5	N461 G462 K463	H459-N461 WeakPolarHBondContact CB-OD1 3.34Å; H459-N461 PolarHBondContact O-N 3.39Å; H459-G462 PolarHBondContact O-N 3.45Å; H459-K463 HydrophobicContact CB-CB 4.16Å; H459-K463 PolarHBondContact N-O 3.42Å
460	A	69.2	Low	89.2	Confident	121 Å²	121	45.7 Å²	45.7	100%	1	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.9	178.9	0	0	0	0	0	114	G462	A460-G462 VanDerWaalsContact C-N 3.26Å; A460-G462 PolarHBondContact O-N 3.3Å
461	N	75.4	Confident	88.7	Confident	109 Å²	109	46.2 Å²	46.2	58%	0.583	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	10.7	174.9	65.1	3.9	0	0	0	114	H459 K463	H459-N461 WeakPolarHBondContact CB-OD1 3.34Å; H459-N461 PolarHBondContact O-N 3.39Å; N461-K463 WeakPolarHBondContact OD1-CB 3.41Å; N461-K463 WeakPolarHBondContact OD1-CG 3.41Å; N461-K463 PolarHBondContact OD1-N 2.98Å
462	G	75.6	Confident	87.6	Confident	52 Å²	52	47.7 Å²	47.7	54%	0.536	27%	0.268	S	S	.	.	S	Bend	trans	78	15.9	179.2	0	0	0	0	0	114.6	H459 A460 V465	H459-G462 PolarHBondContact O-N 3.45Å; A460-G462 VanDerWaalsContact C-N 3.26Å; A460-G462 PolarHBondContact O-N 3.3Å; G462-V465 VanDerWaalsContact O-CG2 3.22Å; G462-V465 WeakPolarHBondContact O-CG2 3.33Å
463	K	83.1	Confident	86	Confident	119 Å²	119	50.5 Å²	50.5	52%	0.517	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	147.4	171.5	-68.1	-176.7	-179.2	-174.6	0	111.4	S458 H459 N461 V465	S458-K463 WeakPolarHBondContact CA-O 3.15Å; H459-K463 HydrophobicContact CB-CB 4.16Å; H459-K463 PolarHBondContact N-O 3.42Å; N461-K463 WeakPolarHBondContact OD1-CB 3.41Å; N461-K463 WeakPolarHBondContact OD1-CG 3.41Å; N461-K463 PolarHBondContact OD1-N 2.98Å; K463-V465 PolarHBondContact O-N 2.7Å
464	N	89	Confident	83.8	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.037	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	30.3	176.1	-156.9	43.2	0	0	0	116.1	K360 T361 Q362 P455 Q457 S458	K360-N464 WeakPolarHBondContact CB-OD1 3.43Å; K360-N464 PolarHBondContact NZ-OD1 2.63Å; T361-N464 PolarHBondContact N-OD1 2.94Å; T361-N464 WeakPolarHBondContact OG1-CB 3.37Å; Q362-N464 PolarHBondContact N-OD1 3.2Å; Q362-N464 PolarHBondContact O-ND2 2.67Å; Q362-N464 VanDerWaalsContact O-ND2 3.12Å; Q362-N464 PolarHBondContact O-OD1 3.08Å; Q362-N464 VanDerWaalsContact O-OD1 3.07Å; P455-N464 PolarHBondContact O-ND2 3.23Å; Q457-N464 PolarHBondContact O-ND2 3.22Å; S458-N464 PolarHBondContact OG-O 3.02Å
465	V	88.3	Confident	81.3	Confident	50 Å²	50	66.3 Å²	66.3	30%	0.303	35%	0.354	S	S	.	.			trans	-79.8	-25.3	-178.6	-155.7	0	0	0	0	112.6	S458 G462 K463	S458-V465 WeakPolarHBondContact OG-CA 3.19Å; G462-V465 VanDerWaalsContact O-CG2 3.22Å; G462-V465 WeakPolarHBondContact O-CG2 3.33Å; K463-V465 PolarHBondContact O-N 2.7Å
466	Q	91.1	Very high	80.7	Confident	89 Å²	89	69.7 Å²	69.7	42%	0.416	37%	0.372	S	S	.	.	S	Bend	trans	-67.7	145.6	-176	-61.6	-63.7	-0.1	0	0	112.1	E359 K360	E359-Q466 HydrophobicContact CB-CB 3.65Å; E359-Q466 HydrophobicContact CB-CG 3.61Å; E359-Q466 HydrophobicContact CG-CG 4.47Å; E359-Q466 WeakPolarHBondContact OE2-CG 3.14Å; K360-Q466 PolarHBondContact NZ-O 3.04Å
467	P	93.4	Very high	80.1	Confident	39 Å²	39	73.1 Å²	73.1	25%	0.253	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-73	161.6	-175.5	29.2	-34.6	0	0	0	112.8	I316 V317 A318	I316-P467 HydrophobicContact CG2-CB 3.33Å; I316-P467 HydrophobicContact CG2-CG 3.71Å; V317-P467 CarbonylContact O-C 3.59Å; V317-P467 VanDerWaalsContact O-CA 3.26Å; V317-P467 WeakPolarHBondContact O-CA 3.49Å; V317-P467 WeakPolarHBondContact O-CB 3.38Å; A318-P467 HydrophobicContact CB-CB 4.01Å
468	L	95.8	Very high	79.6	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	140.2	151.7	-68.9	175.1	0	0	0	108.9	I316 V317 V355 V357 K360 W363 I365 F453 P455	I316-L468 WeakPolarHBondContact CA-O 3.26Å; V317-L468 HydrophobicContact CG1-CB 3.87Å; V317-L468 HydrophobicContact CG1-CD1 4.44Å; V317-L468 PolarHBondContact N-O 3Å; V317-L468 PolarHBondContact O-N 2.76Å; V355-L468 HydrophobicContact CG1-CB 4.25Å; V355-L468 HydrophobicContact CG1-CD2 4.08Å; V357-L468 HydrophobicContact CG1-CD2 3.67Å; K360-L468 HydrophobicContact CD-CD2 3.44Å; K360-L468 VanDerWaalsContact CD-CD2 3.44Å; K360-L468 HydrophobicContact CD-CG 3.83Å; W363-L468 HydrophobicContact CB-CD1 4.46Å; W363-L468 HydrophobicContact CB-CD2 4.02Å; W363-L468 HydrophobicContact CG-CD2 4.36Å; I365-L468 HydrophobicContact CD1-CD2 4.34Å; F453-L468 HydrophobicContact CB-CD1 4.25Å; P455-L468 HydrophobicContact CB-CD1 4.1Å; P455-L468 HydrophobicContact CB-CG 4.06Å
469	R	95.1	Very high	79.4	Confident	119 Å²	119	74.4 Å²	74.4	45%	0.449	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.9	176.9	178.3	162.2	-179	-173.5	8.2	110.5	I316 V355 M356 N471	I316-R469 HydrophobicContact CD1-CG 4.43Å; I316-R469 HydrophobicContact CG1-CB 4.33Å; I316-R469 HydrophobicContact CG1-CG 3.94Å; V355-R469 CarbonylContact C-O 3.56Å; V355-R469 WeakPolarHBondContact CA-O 3.42Å; M356-R469 HydrophobicContact CB-CB 4.37Å; M356-R469 HydrophobicContact CE-CB 3.86Å; M356-R469 HydrophobicContact CE-CG 3.46Å; M356-R469 VanDerWaalsContact CE-CG 3.46Å; M356-R469 PolarHBondContact N-O 3.13Å; M356-R469 PolarHBondContact O-N 2.77Å; R469-N471 PolarHBondContact O-N 3.31Å
470	I	94.6	Very high	79.7	Confident	4 Å²	4	73.4 Å²	73.4	2%	0.021	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	125.1	170.2	-62.1	172.1	0	0	0	107.1	L297 L299 T315 F453 T472	L297-I470 HydrophobicContact CB-CD1 3.98Å; L297-I470 HydrophobicContact CB-CG2 4.03Å; L299-I470 HydrophobicContact CD2-CD1 3.83Å; L299-I470 HydrophobicContact CG-CD1 3.93Å; T315-I470 PolarHBondContact O-N 2.88Å; F453-I470 HydrophobicContact CE1-CG1 4.32Å; F453-I470 HydrophobicContact CE2-CD1 4.43Å; F453-I470 HydrophobicContact CZ-CD1 4.08Å; F453-I470 HydrophobicContact CZ-CG1 4.32Å; I470-T472 HydrophobicContact CG2-CG2 4.45Å; I470-T472 PolarHBondContact O-N 2.85Å
471	N	88.5	Confident	80.4	Confident	33 Å²	33	70.3 Å²	70.3	18%	0.176	36%	0.357	C	S	.	.			trans	-77.1	91.4	176.2	-176.4	31.6	0	0	0	108.5	E354 M356 K415 R469 V473	E354-N471 HydrophobicContact CB-CB 3.87Å; E354-N471 PolarHBondContact O-N 2.69Å; E354-N471 PolarHBondContact OE2-ND2 3.45Å; M356-N471 HydrophobicContact CG-CB 4.47Å; K415-N471 HydrophobicContact CD-CB 4.32Å; K415-N471 PolarHBondContact NZ-ND2 3.03Å; R469-N471 PolarHBondContact O-N 3.31Å; N471-V473 PolarHBondContact O-N 3.25Å
472	T	75.3	Confident	80.7	Confident	31 Å²	31	67.5 Å²	67.5	19%	0.19	34%	0.341	C	S	.	.			trans	-76.2	107.1	167.2	59.4	0	0	0	0	107.5	T315 I470 R474	T315-T472 HydrophobicContact CG2-CG2 3.77Å; I470-T472 HydrophobicContact CG2-CG2 4.45Å; I470-T472 PolarHBondContact O-N 2.85Å; T472-R474 PolarHBondContact O-N 2.89Å
473	V	64.3	Low	81.1	Confident	59 Å²	59	68.7 Å²	68.7	36%	0.358	33%	0.326	S	S	.	.			trans	-66.6	88.7	163	-177.9	0	0	0	0	106	F287 P294 N471 L475	F287-V473 HydrophobicContact CE1-CG1 4.39Å; P294-V473 HydrophobicContact CB-CG2 4.02Å; P294-V473 HydrophobicContact CG-CG2 4Å; N471-V473 PolarHBondContact O-N 3.25Å; V473-L475 PolarHBondContact O-N 3.03Å
474	R	50.6	Low	81	Confident	191 Å²	191	64.5 Å²	64.5	72%	0.721	31%	0.31	S	S	*	.			trans	-73.1	108	169.5	-69.4	-171.3	-176.2	-174.4	2.3	106	D313 T472	D313-R474 IonicContact OD2-NH2 3.89Å; D313-R474 PolarHBondContact OD2-NH2 3.13Å; T472-R474 PolarHBondContact O-N 2.89Å
475	L	45.8	Very low	80.2	Confident	150 Å²	150	69.7 Å²	69.7	79%	0.785	34%	0.335	S	S	*	.			trans	-62.7	0	176.4	-76.8	165.4	0	0	0	111.9	F287 V473	F287-L475 HydrophobicContact CB-CD2 3.79Å; F287-L475 HydrophobicContact CD2-CD2 4.35Å; F287-L475 HydrophobicContact CG-CD2 3.99Å; V473-L475 PolarHBondContact O-N 3.03Å

Retrieved 475 of 475 residues in 145.6 ms (Link to these results)

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