A0A5K4F3T2_SCHMA Loading...

Enoyl-CoA hydratase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F3T2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 277 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.8	Very low	83.5	Confident	143 Å²	143	75 Å²	75	70%	0.704	40%	0.399	S	S	*	.				0	143.2	0	-73.9	172.9	-178.7	0	0	108	S3 L8 Q10	M1-S3 PolarHBondContact O-N 3.11Å; M1-L8 HydrophobicContact CB-CD2 4.44Å; M1-L8 HydrophobicContact SD-CD1 4.43Å; M1-Q10 HydrophobicContact CE-CB 3.55Å; M1-Q10 HydrophobicContact CE-CG 3.66Å
2	N	49.4	Very low	84.4	Confident	119 Å²	119	74.7 Å²	74.7	64%	0.636	40%	0.396	S	S	*	.			trans	-71.3	98.5	178.7	-127.1	-11.5	0	0	0	107.9	N4 L5	N2-N4 PolarHBondContact O-N 2.64Å; N2-L5 HydrophobicContact CB-CD1 3.97Å; N2-L5 HydrophobicContact CB-CG 4.14Å; N2-L5 PolarHBondContact O-N 3.49Å; N2-L5 VanDerWaalsContact O-N 3.16Å
3	S	62.1	Low	85	Confident	94 Å²	94	74.5 Å²	74.5	66%	0.657	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-10.2	-173.8	55.6	0	0	0	0	114.1	M1 L5	M1-S3 PolarHBondContact O-N 3.11Å; S3-L5 VanDerWaalsContact C-N 3.35Å
4	N	80.1	Confident	85.7	Confident	134 Å²	134	78.6 Å²	78.6	72%	0.717	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-1.1	179.7	-66.2	-9.4	0	0	0	114	N2	N2-N4 PolarHBondContact O-N 2.64Å
5	L	94.3	Very high	86.3	Confident	70 Å²	70	74.2 Å²	74.2	37%	0.366	41%	0.405	S	S	.	.			trans	-87.3	132.5	178	-63	172.8	0	0	0	110.4	N2 S3 V7 L8 N21 M36	N2-L5 HydrophobicContact CB-CD1 3.97Å; N2-L5 HydrophobicContact CB-CG 4.14Å; N2-L5 PolarHBondContact O-N 3.49Å; N2-L5 VanDerWaalsContact O-N 3.16Å; S3-L5 VanDerWaalsContact C-N 3.35Å; L5-V7 PolarHBondContact O-N 2.85Å; L5-L8 HydrophobicContact CB-CD2 4.18Å; L5-N21 PolarHBondContact O-ND2 3.41Å; L5-M36 HydrophobicContact CB-CE 4.18Å; L5-M36 HydrophobicContact CD2-CE 3.87Å
6	C	96.4	Very high	87.1	Confident	11 Å²	11	69.6 Å²	69.6	7%	0.074	38%	0.38	C	S	.	.	S	Bend	trans	-75.5	-11.6	176	60.1	0	0	0	0	113.9	N21 R22 M36	C6-N21 PolarHBondContact O-N 2.77Å; C6-R22 HydrophobicContact CB-CG 3.95Å; C6-M36 PolarHBondContact SG-SD 2.76Å
7	V	97.6	Very high	87.7	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.012	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	126.9	169.7	-169.3	0	0	0	0	108.2	L5 I18 G19 L20 T33 M36 L37 I40	L5-V7 PolarHBondContact O-N 2.85Å; V7-I18 HydrophobicContact CG1-CG2 3.93Å; V7-G19 CarbonylContact C-O 3.42Å; V7-G19 VanDerWaalsContact CA-O 3.28Å; V7-G19 WeakPolarHBondContact CA-O 3.17Å; V7-G19 WeakPolarHBondContact CG1-O 3.5Å; V7-L20 HydrophobicContact CG2-CD2 4.32Å; V7-T33 HydrophobicContact CG2-CG2 3.93Å; V7-M36 HydrophobicContact CB-CB 4.39Å; V7-M36 HydrophobicContact CB-CE 4.4Å; V7-M36 HydrophobicContact CG2-CB 3.96Å; V7-L37 HydrophobicContact CG1-CD1 4.09Å; V7-L37 HydrophobicContact CG2-CB 4.21Å; V7-I40 HydrophobicContact CB-CD1 3.79Å; V7-I40 HydrophobicContact CG1-CD1 3.49Å; V7-I40 VanDerWaalsContact CG1-CD1 3.49Å
8	L	97.7	Very high	88.3	Confident	14 Å²	14	62.3 Å²	62.3	7%	0.073	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146.6	178.8	-60.7	176.5	0	0	0	110.3	M1 L5 I18 G19 N21 E59	M1-L8 HydrophobicContact CB-CD2 4.44Å; M1-L8 HydrophobicContact SD-CD1 4.43Å; L5-L8 HydrophobicContact CB-CD2 4.18Å; L8-I18 WeakPolarHBondContact O-CA 3.05Å; L8-G19 PolarHBondContact N-O 3.17Å; L8-G19 PolarHBondContact O-N 2.96Å; L8-N21 HydrophobicContact CD1-CB 3.82Å; L8-N21 HydrophobicContact CG-CB 3.69Å; L8-E59 HydrophobicContact CD1-CG 4.02Å
9	T	97.5	Very high	88.8	Confident	50 Å²	50	59 Å²	59	31%	0.307	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143	170.1	59.5	0	0	0	0	111.5	L17 I40 Q44	T9-L17 CarbonylContact C-O 3.48Å; T9-L17 VanDerWaalsContact CA-O 3.28Å; T9-L17 WeakPolarHBondContact CA-O 3.47Å; T9-I40 HydrophobicContact CG2-CB 4.39Å; T9-I40 HydrophobicContact CG2-CD1 3.75Å; T9-I40 HydrophobicContact CG2-CG1 3.97Å; T9-I40 HydrophobicContact CG2-CG2 3.5Å; T9-I40 VanDerWaalsContact CG2-CG2 3.5Å; T9-Q44 PolarHBondContact OG1-OE1 2.79Å
10	Q	97.3	Very high	89.3	Confident	82 Å²	82	56.1 Å²	56.1	38%	0.383	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	128.8	173.8	-170.8	-179.1	0	0	0	110.2	M1 L17	M1-Q10 HydrophobicContact CE-CB 3.55Å; M1-Q10 HydrophobicContact CE-CG 3.66Å; Q10-L17 HydrophobicContact CB-CB 4.15Å; Q10-L17 HydrophobicContact CB-CD1 4.38Å; Q10-L17 PolarHBondContact N-O 2.89Å; Q10-L17 PolarHBondContact O-N 3.2Å
11	K	96.5	Very high	89.7	Confident	106 Å²	106	54.8 Å²	54.8	46%	0.461	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.8	170.4	-66.6	-166.6	177.7	-165.8	0	110.5	L15 L16 D48 T50 I51	K11-L15 CarbonylContact C-O 3.58Å; K11-L15 VanDerWaalsContact CA-O 3.32Å; K11-L15 WeakPolarHBondContact CA-O 3.42Å; K11-L16 HydrophobicContact CG-CD1 3.86Å; K11-D48 IonicContact NZ-OD2 2.68Å; K11-D48 PolarHBondContact NZ-OD2 3.03Å; K11-T50 PolarHBondContact NZ-OG1 3.08Å; K11-T50 VanDerWaalsContact NZ-OG1 3.07Å; K11-I51 HydrophobicContact CD-CD1 3.83Å; K11-I51 HydrophobicContact CG-CD1 4.05Å
12	I	94.2	Very high	92	Very high	71 Å²	71	49 Å²	49	36%	0.364	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	97.1	167.5	-59.5	-176.5	0	0	0	107	R14 L15 L17	I12-R14 PolarHBondContact O-N 2.89Å; I12-R14 VanDerWaalsContact O-N 3.15Å; I12-L15 PolarHBondContact N-O 3.13Å; I12-L15 WeakPolarHBondContact O-CB 3.48Å; I12-L15 PolarHBondContact O-N 3.26Å; I12-L17 HydrophobicContact CD1-CD1 3.45Å; I12-L17 VanDerWaalsContact CD1-CD1 3.45Å; I12-L17 HydrophobicContact CD1-CG 4.03Å; I12-L17 HydrophobicContact CG1-CD1 4.1Å; I12-L17 HydrophobicContact CG1-CG 4.36Å
13	G	92.6	Very high	94.2	Very high	73 Å²	73	45.5 Å²	45.5	75%	0.753	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	-117.7	-169.6	0	0	0	0	0	110.8
14	R	94	Very high	95.9	Very high	132 Å²	132	47.8 Å²	47.8	50%	0.498	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	9.8	177.1	-61.7	-168.7	-66.5	156.9	2.5	113.7	I12 T50 I51 I52	I12-R14 PolarHBondContact O-N 2.89Å; I12-R14 VanDerWaalsContact O-N 3.15Å; R14-T50 WeakPolarHBondContact CB-O 3.35Å; R14-I51 WeakPolarHBondContact O-CA 3.45Å; R14-I52 HydrophobicContact CB-CD1 3.81Å; R14-I52 HydrophobicContact CB-CG1 3.81Å; R14-I52 HydrophobicContact CB-CG2 4.29Å; R14-I52 WeakPolarHBondContact O-CG1 3.31Å; R14-I52 PolarHBondContact O-N 2.73Å
15	L	95.8	Very high	96.7	Very high	12 Å²	12	45.4 Å²	45.4	6%	0.063	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	141.9	179.6	-53.7	-173.1	0	0	0	110.9	K11 I12 I52 G53 V200 I203 Y207	K11-L15 CarbonylContact C-O 3.58Å; K11-L15 VanDerWaalsContact CA-O 3.32Å; K11-L15 WeakPolarHBondContact CA-O 3.42Å; I12-L15 PolarHBondContact N-O 3.13Å; I12-L15 WeakPolarHBondContact O-CB 3.48Å; I12-L15 PolarHBondContact O-N 3.26Å; L15-I52 HydrophobicContact CD2-CD1 4.28Å; L15-I52 HydrophobicContact CD2-CG1 3.81Å; L15-G53 WeakPolarHBondContact CA-O 3Å; L15-V200 HydrophobicContact CD1-CG1 4.24Å; L15-I203 HydrophobicContact CD1-CB 3.96Å; L15-I203 HydrophobicContact CD1-CG2 3.79Å; L15-I203 HydrophobicContact CD2-CB 4.39Å; L15-I203 HydrophobicContact CD2-CG2 3.34Å; L15-I203 HydrophobicContact CG-CG2 4.2Å; L15-Y207 HydrophobicContact CD2-CD2 4.2Å; L15-Y207 HydrophobicContact CD2-CE2 4.16Å
16	L	98	Very high	96.8	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.8	173.4	-168.6	68.2	0	0	0	110.6	K11 I18 I40 Q44 F45 I51 G53 G54 V55	K11-L16 HydrophobicContact CG-CD1 3.86Å; L16-I18 HydrophobicContact CD2-CD1 4.11Å; L16-I18 HydrophobicContact CD2-CG1 3.95Å; L16-I18 HydrophobicContact CG-CG1 3.97Å; L16-I40 HydrophobicContact CD2-CG2 4.44Å; L16-Q44 HydrophobicContact CD2-CB 4.03Å; L16-F45 HydrophobicContact CD2-CB 3.95Å; L16-I51 HydrophobicContact CB-CD1 4.06Å; L16-I51 HydrophobicContact CB-CG1 4.25Å; L16-I51 HydrophobicContact CB-CG2 3.88Å; L16-G53 PolarHBondContact N-O 3.44Å; L16-G54 CarbonylContact O-C 3.33Å; L16-G54 WeakPolarHBondContact O-CA 3.46Å; L16-V55 PolarHBondContact O-N 2.97Å
17	L	98.4	Very high	96.9	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	131.7	164.7	-58.7	-177.1	0	0	0	108.9	T9 Q10 I12 V55 Y57 I196 V200	T9-L17 CarbonylContact C-O 3.48Å; T9-L17 VanDerWaalsContact CA-O 3.28Å; T9-L17 WeakPolarHBondContact CA-O 3.47Å; Q10-L17 HydrophobicContact CB-CB 4.15Å; Q10-L17 HydrophobicContact CB-CD1 4.38Å; Q10-L17 PolarHBondContact N-O 2.89Å; Q10-L17 PolarHBondContact O-N 3.2Å; I12-L17 HydrophobicContact CD1-CD1 3.45Å; I12-L17 VanDerWaalsContact CD1-CD1 3.45Å; I12-L17 HydrophobicContact CD1-CG 4.03Å; I12-L17 HydrophobicContact CG1-CD1 4.1Å; I12-L17 HydrophobicContact CG1-CG 4.36Å; L17-V55 WeakPolarHBondContact CA-O 3.43Å; L17-V55 HydrophobicContact CD2-CB 3.61Å; L17-V55 HydrophobicContact CD2-CG1 4.39Å; L17-V55 HydrophobicContact CD2-CG2 3.85Å; L17-Y57 HydrophobicContact CB-CE1 3.92Å; L17-I196 HydrophobicContact CD1-CG2 4.34Å; L17-I196 HydrophobicContact CD2-CG2 4.09Å; L17-V200 HydrophobicContact CD2-CG2 3.79Å
18	I	98.3	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	108.8	-179.1	-53.4	169.1	0	0	0	107.2	V7 L8 L16 L37 I40 L41 F45 V55 L56 Y57	V7-I18 HydrophobicContact CG1-CG2 3.93Å; L8-I18 WeakPolarHBondContact O-CA 3.05Å; L16-I18 HydrophobicContact CD2-CD1 4.11Å; L16-I18 HydrophobicContact CD2-CG1 3.95Å; L16-I18 HydrophobicContact CG-CG1 3.97Å; I18-L37 HydrophobicContact CG2-CD1 3.7Å; I18-I40 HydrophobicContact CD1-CG2 4.06Å; I18-I40 HydrophobicContact CG1-CG2 4.01Å; I18-I40 HydrophobicContact CG2-CG2 3.94Å; I18-L41 HydrophobicContact CD1-CD2 3.66Å; I18-F45 HydrophobicContact CD1-CB 4.16Å; I18-F45 HydrophobicContact CD1-CG 4.41Å; I18-V55 PolarHBondContact N-O 3.01Å; I18-L56 HydrophobicContact CB-CD1 4.11Å; I18-L56 HydrophobicContact CG2-CD1 3.88Å; I18-L56 WeakPolarHBondContact O-CA 3.36Å; I18-L56 WeakPolarHBondContact O-CD1 3.34Å; I18-Y57 VanDerWaalsContact C-CE1 3.47Å; I18-Y57 WeakPolarHBondContact O-CD1 3.36Å; I18-Y57 PolarHBondContact O-N 3.36Å
19	G	98.1	Very high	96.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.4	-175.1	0	0	0	0	0	111.8	V7 L8 Y57	V7-G19 CarbonylContact C-O 3.42Å; V7-G19 VanDerWaalsContact CA-O 3.28Å; V7-G19 WeakPolarHBondContact CA-O 3.17Å; V7-G19 WeakPolarHBondContact CG1-O 3.5Å; L8-G19 PolarHBondContact N-O 3.17Å; L8-G19 PolarHBondContact O-N 2.96Å; G19-Y57 CarbonylContact C-O 3.51Å; G19-Y57 WeakPolarHBondContact CA-O 3.03Å
20	L	98.3	Very high	96.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	127.9	163	-61.9	175.8	0	0	0	108.4	V7 N27 T33 L37 Y57 E59 C64 L122	V7-L20 HydrophobicContact CG2-CD2 4.32Å; L20-N27 HydrophobicContact CB-CB 3.85Å; L20-N27 HydrophobicContact CD1-CB 4.28Å; L20-N27 PolarHBondContact O-OD1 2.91Å; L20-N27 VanDerWaalsContact O-OD1 3.1Å; L20-T33 HydrophobicContact CD2-CG2 3.88Å; L20-L37 HydrophobicContact CD2-CD1 4.3Å; L20-L37 HydrophobicContact CD2-CD2 4.07Å; L20-Y57 PolarHBondContact N-O 2.74Å; L20-E59 WeakPolarHBondContact O-CB 3.39Å; L20-E59 PolarHBondContact O-N 3.17Å; L20-C64 HydrophobicContact CD1-CB 3.83Å; L20-L122 HydrophobicContact CD1-CD2 3.94Å
21	N	97.8	Very high	96.3	Very high	28 Å²	28	41.8 Å²	41.8	15%	0.15	22%	0.217	C	C	.	.			trans	-129.2	65.2	-171.1	-176.5	46.7	0	0	0	111.7	L5 C6 L8 E59	L5-N21 PolarHBondContact O-ND2 3.41Å; C6-N21 PolarHBondContact O-N 2.77Å; L8-N21 HydrophobicContact CD1-CB 3.82Å; L8-N21 HydrophobicContact CG-CB 3.69Å; N21-E59 HydrophobicContact CB-CB 4.36Å; N21-E59 HydrophobicContact CB-CG 3.93Å
22	R	97.2	Very high	96.2	Very high	22 Å²	22	42.8 Å²	42.8	8%	0.083	22%	0.221	C	C	.	.			trans	-130.5	54.8	165.7	-62.1	176.1	73.7	-152.2	18.3	109.3	C6 E24 K25 S26 N27 L28 D30 T33 D68	C6-R22 HydrophobicContact CB-CG 3.95Å; R22-E24 VanDerWaalsContact C-OE2 3.24Å; R22-E24 PolarHBondContact O-N 2.87Å; R22-K25 HydrophobicContact CB-CB 4.46Å; R22-K25 CarbonylContact O-C 3.52Å; R22-K25 WeakPolarHBondContact O-CA 3.49Å; R22-K25 PolarHBondContact O-N 3.37Å; R22-S26 PolarHBondContact O-N 3.47Å; R22-S26 VanDerWaalsContact O-N 3.16Å; R22-N27 VanDerWaalsContact C-OD1 3.23Å; R22-N27 PolarHBondContact N-OD1 2.92Å; R22-N27 PolarHBondContact O-N 2.83Å; R22-L28 PolarHBondContact NH1-O 3.19Å; R22-D30 VanDerWaalsContact CZ-CG 3.48Å; R22-D30 IonicContact CZ-OD2 2.77Å; R22-D30 IonicContact NE-OD2 3.21Å; R22-D30 PolarHBondContact NE-OD2 2.81Å; R22-D30 IonicContact NH1-OD2 3.98Å; R22-D30 PolarHBondContact NH1-OD2 3.11Å; R22-D30 IonicContact NH2-OD2 2.75Å; R22-D30 PolarHBondContact NH2-OD2 3.36Å; R22-T33 WeakPolarHBondContact CD-OG1 3.43Å; R22-D68 IonicContact CZ-OD2 3.41Å; R22-D68 IonicContact NH1-OD2 3.03Å; R22-D68 PolarHBondContact NH1-OD2 3.22Å; R22-D68 IonicContact NH2-OD2 3.32Å; R22-D68 PolarHBondContact NH2-OD2 2.79Å
23	P	97.2	Very high	96.2	Very high	46 Å²	46	39.5 Å²	39.5	30%	0.299	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-57.7	-32.7	-172	23.9	-35.2	0	0	0	113.2	K25 S26	P23-K25 PolarHBondContact O-N 3.18Å; P23-S26 PolarHBondContact O-N 3.03Å
24	E	96.5	Very high	96.3	Very high	142 Å²	142	36 Å²	36	66%	0.664	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-62.7	-29	175.8	72.8	-65.8	159	0	0	113.1	R22	R22-E24 VanDerWaalsContact C-OE2 3.24Å; R22-E24 PolarHBondContact O-N 2.87Å
25	K	96.4	Very high	96.2	Very high	83 Å²	83	33.4 Å²	33.4	36%	0.361	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-104.4	19.8	172.9	-77.5	-171	161.4	-160.6	0	112.1	R22 P23 N27 L28 D68	R22-K25 HydrophobicContact CB-CB 4.46Å; R22-K25 CarbonylContact O-C 3.52Å; R22-K25 WeakPolarHBondContact O-CA 3.49Å; R22-K25 PolarHBondContact O-N 3.37Å; P23-K25 PolarHBondContact O-N 3.18Å; K25-N27 PolarHBondContact O-N 3.01Å; K25-N27 VanDerWaalsContact O-N 3.17Å; K25-L28 HydrophobicContact CB-CD1 4.43Å; K25-L28 WeakPolarHBondContact O-CG 3.45Å; K25-L28 PolarHBondContact O-N 3.19Å; K25-D68 IonicContact NZ-OD2 2.79Å; K25-D68 PolarHBondContact NZ-OD2 2.85Å
26	S	97.1	Very high	96.1	Very high	20 Å²	20	34.9 Å²	34.9	14%	0.14	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	40	-178.9	-43.8	0	0	0	0	112.9	R22 P23 L28 L65	R22-S26 PolarHBondContact O-N 3.47Å; R22-S26 VanDerWaalsContact O-N 3.16Å; P23-S26 PolarHBondContact O-N 3.03Å; S26-L28 VanDerWaalsContact C-N 3.26Å; S26-L28 PolarHBondContact O-N 2.92Å; S26-L65 PolarHBondContact O-N 3.39Å
27	N	97.8	Very high	95.9	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.011	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	35.7	178.2	-61.6	-39.8	0	0	0	114.2	L20 R22 K25 G58 E59 D62 F63 C64	L20-N27 HydrophobicContact CB-CB 3.85Å; L20-N27 HydrophobicContact CD1-CB 4.28Å; L20-N27 PolarHBondContact O-OD1 2.91Å; L20-N27 VanDerWaalsContact O-OD1 3.1Å; R22-N27 VanDerWaalsContact C-OD1 3.23Å; R22-N27 PolarHBondContact N-OD1 2.92Å; R22-N27 PolarHBondContact O-N 2.83Å; K25-N27 PolarHBondContact O-N 3.01Å; K25-N27 VanDerWaalsContact O-N 3.17Å; N27-G58 VanDerWaalsContact ND2-CA 3.33Å; N27-G58 WeakPolarHBondContact ND2-CA 3.5Å; N27-E59 PolarHBondContact ND2-N 2.86Å; N27-E59 PolarHBondContact ND2-O 3.01Å; N27-D62 PolarHBondContact ND2-O 3.29Å; N27-F63 WeakPolarHBondContact CB-O 3.28Å; N27-F63 PolarHBondContact ND2-O 3.11Å; N27-C64 PolarHBondContact O-SG 3.36Å
28	L	96.1	Very high	95.6	Very high	42 Å²	42	35.7 Å²	35.7	22%	0.22	18%	0.182	C	C	.	.			trans	-56.6	147.1	167	-71	168.9	0	0	0	110.6	R22 K25 S26 L65 G66 L67 D68	R22-L28 PolarHBondContact NH1-O 3.19Å; K25-L28 HydrophobicContact CB-CD1 4.43Å; K25-L28 WeakPolarHBondContact O-CG 3.45Å; K25-L28 PolarHBondContact O-N 3.19Å; S26-L28 VanDerWaalsContact C-N 3.26Å; S26-L28 PolarHBondContact O-N 2.92Å; L28-L65 HydrophobicContact CD2-CB 3.88Å; L28-G66 CarbonylContact C-O 3.6Å; L28-G66 VanDerWaalsContact CA-O 3.28Å; L28-G66 WeakPolarHBondContact CA-O 3.44Å; L28-L67 WeakPolarHBondContact CD2-O 3.25Å; L28-D68 HydrophobicContact CB-CB 4.19Å
29	I	94.9	Very high	95.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-101.2	105.6	-176.8	-58.5	171.8	0	0	0	108.4	T33 A34 G66 L67 D68 C93 L122	I29-T33 HydrophobicContact CG2-CG2 4.38Å; I29-A34 HydrophobicContact CG2-CB 3.81Å; I29-G66 PolarHBondContact N-O 2.85Å; I29-L67 HydrophobicContact CB-CD2 4.21Å; I29-L67 HydrophobicContact CG2-CD2 4.28Å; I29-L67 WeakPolarHBondContact O-CA 3.44Å; I29-D68 PolarHBondContact O-N 2.97Å; I29-C93 HydrophobicContact CD1-CB 3.92Å; I29-C93 HydrophobicContact CG2-CB 4.24Å; I29-L122 HydrophobicContact CD1-CD2 4.06Å
30	D	94.2	Very high	95.2	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.112	20%	0.204	C	C	.	.			trans	-88.2	174.6	168	62.1	16.4	0	0	0	111.2	R22 K32 T33 A34 D68 E71	R22-D30 VanDerWaalsContact CZ-CG 3.48Å; R22-D30 IonicContact CZ-OD2 2.77Å; R22-D30 IonicContact NE-OD2 3.21Å; R22-D30 PolarHBondContact NE-OD2 2.81Å; R22-D30 IonicContact NH1-OD2 3.98Å; R22-D30 PolarHBondContact NH1-OD2 3.11Å; R22-D30 IonicContact NH2-OD2 2.75Å; R22-D30 PolarHBondContact NH2-OD2 3.36Å; D30-K32 PolarHBondContact O-N 2.95Å; D30-K32 PolarHBondContact OD1-N 3.03Å; D30-T33 PolarHBondContact O-N 2.75Å; D30-T33 WeakPolarHBondContact OD1-CA 3.32Å; D30-T33 WeakPolarHBondContact OD1-CB 3.25Å; D30-T33 PolarHBondContact OD1-N 2.86Å; D30-T33 PolarHBondContact OD1-OG1 3.09Å; D30-A34 WeakPolarHBondContact O-CB 3.07Å; D30-A34 PolarHBondContact O-N 2.83Å; D30-D68 HydrophobicContact CB-CB 4.11Å; D30-E71 WeakPolarHBondContact CA-OE2 3.36Å; D30-E71 WeakPolarHBondContact CB-OE2 3.45Å
31	Q	93.2	Very high	94.9	Very high	69 Å²	69	39.8 Å²	39.8	32%	0.322	20%	0.204	S	C	.	.	H	α-helix	trans	-55	-42.1	179.1	-177.8	-172	8.8	0	0	111.9	A34 S35 E71 L90 Y91	Q31-A34 PolarHBondContact O-N 3.16Å; Q31-S35 WeakPolarHBondContact O-CB 3.24Å; Q31-S35 PolarHBondContact O-N 3.23Å; Q31-E71 PolarHBondContact N-OE1 3.31Å; Q31-E71 PolarHBondContact N-OE2 3.5Å; Q31-L90 HydrophobicContact CG-CB 4.17Å; Q31-L90 HydrophobicContact CG-CD2 4.24Å; Q31-Y91 HydrophobicContact CB-CE1 4.36Å
32	K	93.8	Very high	94.6	Very high	126 Å²	126	41.5 Å²	41.5	55%	0.548	21%	0.208	S	C	.	.	H	α-helix	trans	-64.5	-45.3	180	-176.1	-177.4	176.6	-176.1	0	111.2	D30 S35 M36	D30-K32 PolarHBondContact O-N 2.95Å; D30-K32 PolarHBondContact OD1-N 3.03Å; K32-S35 PolarHBondContact O-N 2.77Å; K32-M36 HydrophobicContact CG-SD 4.29Å; K32-M36 WeakPolarHBondContact O-CB 3.49Å; K32-M36 WeakPolarHBondContact O-CG 3.27Å; K32-M36 PolarHBondContact O-N 2.82Å
33	T	95.5	Very high	94.4	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-44.6	178.5	-55.3	0	0	0	0	110.5	V7 L20 R22 I29 D30 S35 M36 L37	V7-T33 HydrophobicContact CG2-CG2 3.93Å; L20-T33 HydrophobicContact CD2-CG2 3.88Å; R22-T33 WeakPolarHBondContact CD-OG1 3.43Å; I29-T33 HydrophobicContact CG2-CG2 4.38Å; D30-T33 PolarHBondContact O-N 2.75Å; D30-T33 WeakPolarHBondContact OD1-CA 3.32Å; D30-T33 WeakPolarHBondContact OD1-CB 3.25Å; D30-T33 PolarHBondContact OD1-N 2.86Å; D30-T33 PolarHBondContact OD1-OG1 3.09Å; T33-S35 PolarHBondContact O-N 2.87Å; T33-M36 PolarHBondContact O-N 2.78Å; T33-L37 WeakPolarHBondContact O-CB 3.19Å; T33-L37 PolarHBondContact O-N 2.76Å
34	A	93.3	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-47.5	176.5	0	0	0	0	0	111.6	I29 D30 Q31 L37 N38	I29-A34 HydrophobicContact CG2-CB 3.81Å; D30-A34 WeakPolarHBondContact O-CB 3.07Å; D30-A34 PolarHBondContact O-N 2.83Å; Q31-A34 PolarHBondContact O-N 3.16Å; A34-L37 PolarHBondContact O-N 3.15Å; A34-N38 WeakPolarHBondContact O-CB 3.43Å; A34-N38 PolarHBondContact O-N 3.21Å; A34-N38 PolarHBondContact O-ND2 3.48Å
35	S	91.8	Very high	94.3	Very high	78 Å²	78	38.2 Å²	38.2	55%	0.545	19%	0.192	S	C	.	.	H	α-helix	trans	-61.1	-50.6	177.8	-179.5	0	0	0	0	112.2	Q31 K32 T33 L37 N38 D39	Q31-S35 WeakPolarHBondContact O-CB 3.24Å; Q31-S35 PolarHBondContact O-N 3.23Å; K32-S35 PolarHBondContact O-N 2.77Å; T33-S35 PolarHBondContact O-N 2.87Å; S35-L37 PolarHBondContact O-N 2.84Å; S35-N38 PolarHBondContact O-N 2.95Å; S35-D39 PolarHBondContact O-N 3.12Å
36	M	94.2	Very high	94.2	Very high	42 Å²	42	36.1 Å²	36.1	21%	0.207	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-41.9	178.8	-75.8	-175.7	59.8	0	0	112.5	L5 C6 V7 K32 T33 D39 I40	L5-M36 HydrophobicContact CB-CE 4.18Å; L5-M36 HydrophobicContact CD2-CE 3.87Å; C6-M36 PolarHBondContact SG-SD 2.76Å; V7-M36 HydrophobicContact CB-CB 4.39Å; V7-M36 HydrophobicContact CB-CE 4.4Å; V7-M36 HydrophobicContact CG2-CB 3.96Å; K32-M36 HydrophobicContact CG-SD 4.29Å; K32-M36 WeakPolarHBondContact O-CB 3.49Å; K32-M36 WeakPolarHBondContact O-CG 3.27Å; K32-M36 PolarHBondContact O-N 2.82Å; T33-M36 PolarHBondContact O-N 2.78Å; M36-D39 PolarHBondContact O-N 3.32Å; M36-I40 WeakPolarHBondContact O-CB 3.49Å; M36-I40 WeakPolarHBondContact O-CD1 3.37Å; M36-I40 WeakPolarHBondContact O-CG1 3.48Å; M36-I40 PolarHBondContact O-N 3.15Å
37	L	94.8	Very high	94	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-44.8	179.6	-176.7	63.8	0	0	0	111.2	V7 I18 L20 T33 A34 S35 I40 L41 L56 C93 L122	V7-L37 HydrophobicContact CG1-CD1 4.09Å; V7-L37 HydrophobicContact CG2-CB 4.21Å; I18-L37 HydrophobicContact CG2-CD1 3.7Å; L20-L37 HydrophobicContact CD2-CD1 4.3Å; L20-L37 HydrophobicContact CD2-CD2 4.07Å; T33-L37 WeakPolarHBondContact O-CB 3.19Å; T33-L37 PolarHBondContact O-N 2.76Å; A34-L37 PolarHBondContact O-N 3.15Å; S35-L37 PolarHBondContact O-N 2.84Å; L37-I40 PolarHBondContact O-N 2.79Å; L37-L41 HydrophobicContact CD1-CD1 4.07Å; L37-L41 HydrophobicContact CD1-CG 4.24Å; L37-L41 HydrophobicContact CD2-CD1 4.37Å; L37-L41 HydrophobicContact CG-CD1 3.78Å; L37-L41 HydrophobicContact CG-CG 4.36Å; L37-L41 WeakPolarHBondContact O-CB 3.47Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.49Å; L37-L41 PolarHBondContact O-N 3.17Å; L37-L56 HydrophobicContact CD1-CD1 4Å; L37-C93 HydrophobicContact CD2-CB 4.02Å; L37-L122 HydrophobicContact CD2-CD1 4.04Å; L37-L122 HydrophobicContact CD2-CD2 3.94Å
38	N	91.6	Very high	93.9	Very high	26 Å²	26	43.7 Å²	43.7	14%	0.139	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-49.5	175.4	-80.9	-63.3	0	0	0	111.1	A34 S35 I40 L41 Y42 S92 C93	A34-N38 WeakPolarHBondContact O-CB 3.43Å; A34-N38 PolarHBondContact O-N 3.21Å; A34-N38 PolarHBondContact O-ND2 3.48Å; S35-N38 PolarHBondContact O-N 2.95Å; N38-I40 VanDerWaalsContact C-N 3.31Å; N38-I40 PolarHBondContact O-N 3.49Å; N38-L41 PolarHBondContact O-N 2.91Å; N38-L41 VanDerWaalsContact O-N 3.16Å; N38-Y42 HydrophobicContact CB-CD2 4.2Å; N38-Y42 HydrophobicContact CB-CE2 4.12Å; N38-Y42 WeakPolarHBondContact O-CD2 3.38Å; N38-Y42 PolarHBondContact O-N 3.23Å; N38-S92 PolarHBondContact ND2-O 2.99Å; N38-C93 PolarHBondContact OD1-O 3.29Å
39	D	91.8	Very high	93.7	Very high	78 Å²	78	48.8 Å²	48.8	42%	0.417	25%	0.245	S	C	.	.	H	α-helix	trans	-55.3	-47.1	179.1	179.2	69.4	0	0	0	111.8	S35 M36 Y42 N43	S35-D39 PolarHBondContact O-N 3.12Å; M36-D39 PolarHBondContact O-N 3.32Å; D39-Y42 PolarHBondContact O-N 3.19Å; D39-N43 VanDerWaalsContact O-CB 3.3Å; D39-N43 WeakPolarHBondContact O-CB 3.35Å; D39-N43 PolarHBondContact O-N 3.13Å; D39-N43 PolarHBondContact OD1-ND2 3.28Å
40	I	95.2	Very high	93.7	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.041	27%	0.268	C	S	.	.	I	π-helix	trans	-61.2	-48.3	176.8	-72.1	161.8	0	0	0	110.9	V7 T9 L16 I18 M36 L37 N38 Y42 Q44 F45	V7-I40 HydrophobicContact CB-CD1 3.79Å; V7-I40 HydrophobicContact CG1-CD1 3.49Å; V7-I40 VanDerWaalsContact CG1-CD1 3.49Å; T9-I40 HydrophobicContact CG2-CB 4.39Å; T9-I40 HydrophobicContact CG2-CD1 3.75Å; T9-I40 HydrophobicContact CG2-CG1 3.97Å; T9-I40 HydrophobicContact CG2-CG2 3.5Å; T9-I40 VanDerWaalsContact CG2-CG2 3.5Å; L16-I40 HydrophobicContact CD2-CG2 4.44Å; I18-I40 HydrophobicContact CD1-CG2 4.06Å; I18-I40 HydrophobicContact CG1-CG2 4.01Å; I18-I40 HydrophobicContact CG2-CG2 3.94Å; M36-I40 WeakPolarHBondContact O-CB 3.49Å; M36-I40 WeakPolarHBondContact O-CD1 3.37Å; M36-I40 WeakPolarHBondContact O-CG1 3.48Å; M36-I40 PolarHBondContact O-N 3.15Å; L37-I40 PolarHBondContact O-N 2.79Å; N38-I40 VanDerWaalsContact C-N 3.31Å; N38-I40 PolarHBondContact O-N 3.49Å; I40-Y42 PolarHBondContact O-N 3.01Å; I40-Q44 HydrophobicContact CG2-CB 4.42Å; I40-Q44 CarbonylContact O-C 3.56Å; I40-Q44 WeakPolarHBondContact O-CA 3.47Å; I40-Q44 WeakPolarHBondContact O-CB 3.36Å; I40-Q44 PolarHBondContact O-N 2.66Å; I40-F45 PolarHBondContact O-N 3.44Å
41	L	93.6	Very high	93.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.263	C	S	.	.	I	π-helix	trans	-62.4	-41.5	-178.6	-75.1	170.1	0	0	0	112.2	I18 L37 N38 F45 D46 L94 F103 L107	I18-L41 HydrophobicContact CD1-CD2 3.66Å; L37-L41 HydrophobicContact CD1-CD1 4.07Å; L37-L41 HydrophobicContact CD1-CG 4.24Å; L37-L41 HydrophobicContact CD2-CD1 4.37Å; L37-L41 HydrophobicContact CG-CD1 3.78Å; L37-L41 HydrophobicContact CG-CG 4.36Å; L37-L41 WeakPolarHBondContact O-CB 3.47Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.49Å; L37-L41 PolarHBondContact O-N 3.17Å; N38-L41 PolarHBondContact O-N 2.91Å; N38-L41 VanDerWaalsContact O-N 3.16Å; L41-F45 HydrophobicContact CD2-CD1 4.28Å; L41-F45 WeakPolarHBondContact O-CB 3.46Å; L41-D46 VanDerWaalsContact O-CB 3.29Å; L41-D46 WeakPolarHBondContact O-CB 3.37Å; L41-D46 PolarHBondContact O-N 3.06Å; L41-L94 HydrophobicContact CD1-CD2 4.3Å; L41-F103 HydrophobicContact CB-CE1 3.72Å; L41-F103 HydrophobicContact CB-CE2 4.44Å; L41-F103 HydrophobicContact CB-CZ 3.64Å; L41-F103 HydrophobicContact CD1-CE2 4.19Å; L41-F103 HydrophobicContact CD1-CZ 3.76Å; L41-F103 HydrophobicContact CD2-CE2 4.04Å; L41-F103 HydrophobicContact CD2-CZ 4.08Å; L41-F103 HydrophobicContact CG-CE2 4.47Å; L41-F103 HydrophobicContact CG-CZ 4.04Å; L41-L107 HydrophobicContact CD2-CD2 3.93Å
42	Y	91.2	Very high	93.8	Very high	64 Å²	64	48.8 Å²	48.8	25%	0.251	25%	0.25	S	C	.	.	I	π-helix	trans	-79.1	-49	179.5	-71.1	-68.9	0	0	0	112.9	N38 D39 I40 K47 S95 F103	N38-Y42 HydrophobicContact CB-CD2 4.2Å; N38-Y42 HydrophobicContact CB-CE2 4.12Å; N38-Y42 WeakPolarHBondContact O-CD2 3.38Å; N38-Y42 PolarHBondContact O-N 3.23Å; D39-Y42 PolarHBondContact O-N 3.19Å; I40-Y42 PolarHBondContact O-N 3.01Å; Y42-K47 WeakPolarHBondContact O-CB 3.38Å; Y42-K47 WeakPolarHBondContact O-CG 3.3Å; Y42-K47 PolarHBondContact O-N 3.19Å; Y42-S95 WeakPolarHBondContact OH-CB 3.15Å; Y42-S95 PolarHBondContact OH-N 2.78Å; Y42-S95 PolarHBondContact OH-OG 3.33Å; Y42-F103 HydrophobicContact CD1-CE1 4.35Å; Y42-F103 HydrophobicContact CE1-CE1 4.22Å
43	N	93.2	Very high	93.8	Very high	71 Å²	71	42.8 Å²	42.8	38%	0.38	22%	0.224	S	C	.	.	I	π-helix	trans	-91.4	-38.1	-167.8	-65.3	-41.8	0	0	0	112.6	D39 K47	D39-N43 VanDerWaalsContact O-CB 3.3Å; D39-N43 WeakPolarHBondContact O-CB 3.35Å; D39-N43 PolarHBondContact O-N 3.13Å; D39-N43 PolarHBondContact OD1-ND2 3.28Å; N43-K47 PolarHBondContact OD1-NZ 2.95Å; N43-K47 VanDerWaalsContact OD1-NZ 3.16Å
44	Q	95.6	Very high	93.9	Very high	69 Å²	69	42.7 Å²	42.7	32%	0.322	22%	0.223	S	C	.	.	I	π-helix	trans	-95	-31.6	-177.7	-59.6	-176.5	32.6	0	0	113.3	T9 L16 I40 D48	T9-Q44 PolarHBondContact OG1-OE1 2.79Å; L16-Q44 HydrophobicContact CD2-CB 4.03Å; I40-Q44 HydrophobicContact CG2-CB 4.42Å; I40-Q44 CarbonylContact O-C 3.56Å; I40-Q44 WeakPolarHBondContact O-CA 3.47Å; I40-Q44 WeakPolarHBondContact O-CB 3.36Å; I40-Q44 PolarHBondContact O-N 2.66Å; Q44-D48 WeakPolarHBondContact O-CB 3.29Å
45	F	95.7	Very high	94.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-91.8	-59.7	178.8	173.1	-115.4	0	0	0	111.6	L16 I18 I40 L41 I51 F103 K105 P106 L107	L16-F45 HydrophobicContact CD2-CB 3.95Å; I18-F45 HydrophobicContact CD1-CB 4.16Å; I18-F45 HydrophobicContact CD1-CG 4.41Å; I40-F45 PolarHBondContact O-N 3.44Å; L41-F45 HydrophobicContact CD2-CD1 4.28Å; L41-F45 WeakPolarHBondContact O-CB 3.46Å; F45-I51 HydrophobicContact CD2-CG2 3.89Å; F45-I51 HydrophobicContact CE2-CG2 4.33Å; F45-F103 HydrophobicContact CD1-CB 4.1Å; F45-F103 HydrophobicContact CD1-CD1 4.38Å; F45-F103 HydrophobicContact CD1-CD2 4.37Å; F45-F103 HydrophobicContact CD1-CG 4Å; F45-F103 HydrophobicContact CE1-CB 3.57Å; F45-F103 HydrophobicContact CE1-CD2 4.04Å; F45-F103 AromaticContact CE1-CG 3.81Å; F45-F103 HydrophobicContact CE1-CG 3.81Å; F45-K105 HydrophobicContact CE1-CB 4.24Å; F45-K105 HydrophobicContact CE2-CB 3.97Å; F45-K105 HydrophobicContact CZ-CB 3.61Å; F45-K105 WeakPolarHBondContact CZ-O 3.44Å; F45-K105 WeakPolarHBondContact O-CD 3.35Å; F45-K105 PolarHBondContact O-NZ 2.78Å; F45-P106 WeakPolarHBondContact CZ-O 3.43Å; F45-L107 HydrophobicContact CE1-CB 4.11Å; F45-L107 HydrophobicContact CE1-CD1 4.33Å; F45-L107 HydrophobicContact CE1-CD2 4.45Å; F45-L107 HydrophobicContact CE2-CD1 4.42Å; F45-L107 HydrophobicContact CZ-CB 3.91Å; F45-L107 HydrophobicContact CZ-CD1 4.12Å
46	D	92.8	Very high	94.5	Very high	39 Å²	39	39 Å²	39	21%	0.209	20%	0.198	C	C	.	.	I	π-helix	trans	-74.2	-48.3	-170	-160.6	42.1	0	0	0	112.5	L41 F103 S104 K105	L41-D46 VanDerWaalsContact O-CB 3.29Å; L41-D46 WeakPolarHBondContact O-CB 3.37Å; L41-D46 PolarHBondContact O-N 3.06Å; D46-F103 HydrophobicContact CB-CD1 4.1Å; D46-S104 VanDerWaalsContact OD1-CB 3.3Å; D46-S104 WeakPolarHBondContact OD1-CB 3.42Å; D46-S104 PolarHBondContact OD1-N 3.25Å; D46-S104 PolarHBondContact OD1-OG 3.47Å; D46-K105 VanDerWaalsContact O-CE 3.27Å; D46-K105 WeakPolarHBondContact O-CE 3.42Å; D46-K105 PolarHBondContact O-NZ 2.93Å
47	K	93.2	Very high	94.7	Very high	141 Å²	141	37.5 Å²	37.5	61%	0.613	19%	0.19	S	C	*	.	S	Bend	trans	-81.7	-20.5	-177.3	-73.4	179.2	-176.4	168.1	0	116.3	Y42 N43 D49	Y42-K47 WeakPolarHBondContact O-CB 3.38Å; Y42-K47 WeakPolarHBondContact O-CG 3.3Å; Y42-K47 PolarHBondContact O-N 3.19Å; N43-K47 PolarHBondContact OD1-NZ 2.95Å; N43-K47 VanDerWaalsContact OD1-NZ 3.16Å; K47-D49 PolarHBondContact O-N 3.35Å
48	D	95.3	Very high	94.8	Very high	41 Å²	41	37.8 Å²	37.8	22%	0.219	19%	0.192	C	C	.	.			trans	-80.4	102.3	-177.4	-176.8	-11.3	0	0	0	110.6	K11 Q44 T50 I51 K105	K11-D48 IonicContact NZ-OD2 2.68Å; K11-D48 PolarHBondContact NZ-OD2 3.03Å; Q44-D48 WeakPolarHBondContact O-CB 3.29Å; D48-T50 PolarHBondContact O-N 3.16Å; D48-T50 VanDerWaalsContact O-N 3.07Å; D48-T50 VanDerWaalsContact OD1-CB 3.28Å; D48-T50 WeakPolarHBondContact OD1-CB 3.35Å; D48-T50 WeakPolarHBondContact OD1-CG2 3.32Å; D48-T50 PolarHBondContact OD1-N 3.18Å; D48-T50 PolarHBondContact OD1-OG1 3.36Å; D48-T50 PolarHBondContact OD2-OG1 2.93Å; D48-I51 HydrophobicContact CB-CG1 4.21Å; D48-I51 WeakPolarHBondContact O-CB 3.34Å; D48-I51 PolarHBondContact O-N 3.36Å; D48-K105 VanDerWaalsContact C-NZ 3.35Å; D48-K105 PolarHBondContact O-NZ 2.94Å
49	D	93.7	Very high	95.1	Very high	148 Å²	148	39.4 Å²	39.4	79%	0.791	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.8	-179.4	-66.6	-30.3	0	0	0	114.3	K47 I51	K47-D49 PolarHBondContact O-N 3.35Å; D49-I51 VanDerWaalsContact C-N 3.25Å
50	T	94.8	Very high	95.4	Very high	80 Å²	80	38.1 Å²	38.1	49%	0.491	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.9	172	72.9	0	0	0	0	112.4	K11 R14 D48	K11-T50 PolarHBondContact NZ-OG1 3.08Å; K11-T50 VanDerWaalsContact NZ-OG1 3.07Å; R14-T50 WeakPolarHBondContact CB-O 3.35Å; D48-T50 PolarHBondContact O-N 3.16Å; D48-T50 VanDerWaalsContact O-N 3.07Å; D48-T50 VanDerWaalsContact OD1-CB 3.28Å; D48-T50 WeakPolarHBondContact OD1-CB 3.35Å; D48-T50 WeakPolarHBondContact OD1-CG2 3.32Å; D48-T50 PolarHBondContact OD1-N 3.18Å; D48-T50 PolarHBondContact OD1-OG1 3.36Å; D48-T50 PolarHBondContact OD2-OG1 2.93Å
51	I	95.3	Very high	95.5	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.232	C	C	.	.			trans	-93.5	129.9	174.8	-60.1	-55	0	0	0	109.4	K11 R14 L16 F45 D48 D49 G53 K105	K11-I51 HydrophobicContact CD-CD1 3.83Å; K11-I51 HydrophobicContact CG-CD1 4.05Å; R14-I51 WeakPolarHBondContact O-CA 3.45Å; L16-I51 HydrophobicContact CB-CD1 4.06Å; L16-I51 HydrophobicContact CB-CG1 4.25Å; L16-I51 HydrophobicContact CB-CG2 3.88Å; F45-I51 HydrophobicContact CD2-CG2 3.89Å; F45-I51 HydrophobicContact CE2-CG2 4.33Å; D48-I51 HydrophobicContact CB-CG1 4.21Å; D48-I51 WeakPolarHBondContact O-CB 3.34Å; D48-I51 PolarHBondContact O-N 3.36Å; D49-I51 VanDerWaalsContact C-N 3.25Å; I51-G53 WeakPolarHBondContact CG2-O 3.19Å; I51-K105 VanDerWaalsContact O-CD 3.25Å; I51-K105 WeakPolarHBondContact O-CD 3.35Å; I51-K105 WeakPolarHBondContact O-CE 3.21Å; I51-K105 PolarHBondContact O-NZ 3.06Å
52	I	92.8	Very high	95.7	Very high	9 Å²	9	45 Å²	45	5%	0.046	23%	0.234	C	C	.	.			trans	-105.3	-33.1	178.6	61.8	-176.9	0	0	0	112.1	R14 L15 K105 Y207 Y216	R14-I52 HydrophobicContact CB-CD1 3.81Å; R14-I52 HydrophobicContact CB-CG1 3.81Å; R14-I52 HydrophobicContact CB-CG2 4.29Å; R14-I52 WeakPolarHBondContact O-CG1 3.31Å; R14-I52 PolarHBondContact O-N 2.73Å; L15-I52 HydrophobicContact CD2-CD1 4.28Å; L15-I52 HydrophobicContact CD2-CG1 3.81Å; I52-K105 VanDerWaalsContact O-CB 3.28Å; I52-K105 WeakPolarHBondContact O-CB 3.5Å; I52-K105 WeakPolarHBondContact O-CG 3.38Å; I52-Y207 HydrophobicContact CB-CD1 4.3Å; I52-Y207 HydrophobicContact CB-CE1 3.84Å; I52-Y207 HydrophobicContact CB-CE2 4.05Å; I52-Y207 HydrophobicContact CD1-CD1 3.6Å; I52-Y207 HydrophobicContact CD1-CD2 3.29Å; I52-Y207 HydrophobicContact CD1-CE1 3.99Å; I52-Y207 HydrophobicContact CD1-CE2 3.69Å; I52-Y207 HydrophobicContact CD1-CG 3.25Å; I52-Y207 HydrophobicContact CG1-CD1 4.14Å; I52-Y207 HydrophobicContact CG1-CD2 3.63Å; I52-Y207 HydrophobicContact CG1-CE1 4.01Å; I52-Y207 HydrophobicContact CG1-CE2 3.45Å; I52-Y207 VanDerWaalsContact CG1-CE2 3.45Å; I52-Y207 HydrophobicContact CG1-CG 3.98Å; I52-Y207 PolarHBondContact O-OH 2.6Å; I52-Y216 PolarHBondContact O-OH 2.77Å
53	G	94.9	Very high	96	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	172.1	-179.3	0	0	0	0	0	111.3	L15 L16 I51 P106	L15-G53 WeakPolarHBondContact CA-O 3Å; L16-G53 PolarHBondContact N-O 3.44Å; I51-G53 WeakPolarHBondContact CG2-O 3.19Å; G53-P106 CarbonylContact C-O 3.49Å; G53-P106 VanDerWaalsContact CA-O 3.26Å; G53-P106 WeakPolarHBondContact CA-O 3.1Å
54	G	97	Very high	96.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.9	-171.9	0	0	0	0	0	114.8	L16 P106 L107 I108 I203	L16-G54 CarbonylContact O-C 3.33Å; L16-G54 WeakPolarHBondContact O-CA 3.46Å; G54-P106 PolarHBondContact N-O 3.36Å; G54-L107 WeakPolarHBondContact O-CA 3.49Å; G54-I108 PolarHBondContact O-N 3.43Å; G54-I203 WeakPolarHBondContact O-CD1 3.42Å
55	V	98.4	Very high	96.2	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.5	174.5	-176.4	0	0	0	0	108.8	L16 L17 I18 I108 A110 V200 I203	L16-V55 PolarHBondContact O-N 2.97Å; L17-V55 WeakPolarHBondContact CA-O 3.43Å; L17-V55 HydrophobicContact CD2-CB 3.61Å; L17-V55 HydrophobicContact CD2-CG1 4.39Å; L17-V55 HydrophobicContact CD2-CG2 3.85Å; I18-V55 PolarHBondContact N-O 3.01Å; V55-I108 CarbonylContact C-O 3.31Å; V55-I108 VanDerWaalsContact CA-O 3.27Å; V55-I108 WeakPolarHBondContact CA-O 3.47Å; V55-A110 HydrophobicContact CG1-CB 3.62Å; V55-V200 HydrophobicContact CG2-CG2 4.18Å; V55-I203 HydrophobicContact CG2-CD1 3.56Å
56	L	98.5	Very high	96.1	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.7	170.8	-178	61.6	0	0	0	109.1	I18 L37 F63 L107 I108 A109 A110 L122	I18-L56 HydrophobicContact CB-CD1 4.11Å; I18-L56 HydrophobicContact CG2-CD1 3.88Å; I18-L56 WeakPolarHBondContact O-CA 3.36Å; I18-L56 WeakPolarHBondContact O-CD1 3.34Å; L37-L56 HydrophobicContact CD1-CD1 4Å; L56-F63 HydrophobicContact CD2-CZ 4.22Å; L56-F63 HydrophobicContact CG-CE2 4.23Å; L56-F63 HydrophobicContact CG-CZ 4.16Å; L56-L107 HydrophobicContact CB-CD1 4.29Å; L56-I108 PolarHBondContact N-O 2.99Å; L56-A109 CarbonylContact O-C 3.59Å; L56-A109 WeakPolarHBondContact O-CA 3.32Å; L56-A110 PolarHBondContact O-N 3.46Å; L56-L122 HydrophobicContact CD2-CD1 3.74Å; L56-L122 HydrophobicContact CD2-CD2 3.92Å; L56-L122 HydrophobicContact CD2-CG 3.59Å
57	Y	98.7	Very high	96	Very high	10 Å²	10	36.6 Å²	36.6	4%	0.039	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	172.8	-179	70.9	-77.5	0	0	0	111.5	L17 I18 G19 L20 E59 I196	L17-Y57 HydrophobicContact CB-CE1 3.92Å; I18-Y57 VanDerWaalsContact C-CE1 3.47Å; I18-Y57 WeakPolarHBondContact O-CD1 3.36Å; I18-Y57 PolarHBondContact O-N 3.36Å; G19-Y57 CarbonylContact C-O 3.51Å; G19-Y57 WeakPolarHBondContact CA-O 3.03Å; L20-Y57 PolarHBondContact N-O 2.74Å; Y57-E59 HydrophobicContact CE2-CG 4.23Å; Y57-E59 VanDerWaalsContact CE2-OE1 3.32Å; Y57-E59 WeakPolarHBondContact CE2-OE1 3.45Å; Y57-E59 PolarHBondContact OH-OE1 2.94Å; Y57-I196 HydrophobicContact CD1-CD1 4.37Å; Y57-I196 HydrophobicContact CD2-CD1 3.36Å; Y57-I196 HydrophobicContact CD2-CG1 4.18Å; Y57-I196 HydrophobicContact CE2-CD1 3.76Å; Y57-I196 HydrophobicContact CG-CD1 3.7Å; Y57-I196 HydrophobicContact CG-CG1 4.03Å
58	G	98.4	Very high	96.1	Very high	5 Å²	5	30.2 Å²	30.2	5%	0.052	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.8	170.8	0	0	0	0	0	111	N27 F63	N27-G58 VanDerWaalsContact ND2-CA 3.33Å; N27-G58 WeakPolarHBondContact ND2-CA 3.5Å; G58-F63 WeakPolarHBondContact CA-O 3.33Å
59	E	97.7	Very high	95.8	Very high	60 Å²	60	31 Å²	31	28%	0.28	17%	0.173	S	C	.	.	S	Bend	trans	-71.5	145.5	170.7	-72.1	-69.5	168.9	0	0	110.7	L8 L20 N21 N27 Y57	L8-E59 HydrophobicContact CD1-CG 4.02Å; L20-E59 WeakPolarHBondContact O-CB 3.39Å; L20-E59 PolarHBondContact O-N 3.17Å; N21-E59 HydrophobicContact CB-CB 4.36Å; N21-E59 HydrophobicContact CB-CG 3.93Å; N27-E59 PolarHBondContact ND2-N 2.86Å; N27-E59 PolarHBondContact ND2-O 3.01Å; Y57-E59 HydrophobicContact CE2-CG 4.23Å; Y57-E59 VanDerWaalsContact CE2-OE1 3.32Å; Y57-E59 WeakPolarHBondContact CE2-OE1 3.45Å; Y57-E59 PolarHBondContact OH-OE1 2.94Å
60	G	96.4	Very high	95.7	Very high	52 Å²	52	30.5 Å²	30.5	54%	0.536	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	-139.2	-178.9	0	0	0	0	0	113.4
61	K	97.3	Very high	95.6	Very high	141 Å²	141	29.4 Å²	29.4	61%	0.613	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-17.2	-164.1	63.7	171.4	-175.2	-177.9	0	115.4	G113	K61-G113 WeakPolarHBondContact O-CA 3.43Å
62	D	98.4	Very high	95.4	Very high	11 Å²	11	30.3 Å²	30.3	6%	0.059	16%	0.159	C	C	.	.			trans	-134.8	142.9	-171.9	-70.6	-55	0	0	0	109.9	N27 L65 T112 K114	N27-D62 PolarHBondContact ND2-O 3.29Å; D62-L65 HydrophobicContact CB-CD1 3.57Å; D62-T112 CarbonylContact C-O 3.6Å; D62-T112 WeakPolarHBondContact CA-O 3.41Å; D62-K114 VanDerWaalsContact OD1-CB 3.24Å; D62-K114 WeakPolarHBondContact OD1-CB 3.43Å; D62-K114 VanDerWaalsContact OD1-CG 3.25Å; D62-K114 WeakPolarHBondContact OD1-CG 3.42Å; D62-K114 PolarHBondContact OD1-N 3.44Å
63	F	98.7	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-61.7	-62.2	174	174.1	-100.4	0	0	0	110.6	N27 L56 G58 A109 A110 I111 T112 K114 A115 G119 L122 A123	N27-F63 WeakPolarHBondContact CB-O 3.28Å; N27-F63 PolarHBondContact ND2-O 3.11Å; L56-F63 HydrophobicContact CD2-CZ 4.22Å; L56-F63 HydrophobicContact CG-CE2 4.23Å; L56-F63 HydrophobicContact CG-CZ 4.16Å; G58-F63 WeakPolarHBondContact CA-O 3.33Å; F63-A109 HydrophobicContact CE2-CB 4.36Å; F63-A109 HydrophobicContact CZ-CB 4.34Å; F63-A110 WeakPolarHBondContact CD2-O 3.34Å; F63-I111 HydrophobicContact CB-CB 4.5Å; F63-I111 HydrophobicContact CB-CG2 4.02Å; F63-I111 HydrophobicContact CD2-CG1 4.39Å; F63-I111 HydrophobicContact CG-CG1 4.36Å; F63-I111 HydrophobicContact CG-CG2 4.47Å; F63-T112 PolarHBondContact N-O 2.93Å; F63-K114 WeakPolarHBondContact CB-O 3.37Å; F63-K114 PolarHBondContact N-O 3.01Å; F63-K114 VanDerWaalsContact N-O 3.12Å; F63-A115 HydrophobicContact CB-CB 4.29Å; F63-A115 HydrophobicContact CD1-CB 3.75Å; F63-A115 HydrophobicContact CG-CB 4.34Å; F63-G119 VanDerWaalsContact CE1-O 3.28Å; F63-G119 WeakPolarHBondContact CE1-O 3.48Å; F63-L122 HydrophobicContact CZ-CD2 4.49Å; F63-A123 HydrophobicContact CE1-CB 3.86Å; F63-A123 HydrophobicContact CZ-CB 4.13Å
64	C	97.7	Very high	95.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-171.9	129.7	178.5	177.8	0	0	0	0	110.2	L20 N27 G66 K114 A115 I116 G119	L20-C64 HydrophobicContact CD1-CB 3.83Å; N27-C64 PolarHBondContact O-SG 3.36Å; C64-G66 PolarHBondContact SG-N 3.29Å; C64-K114 PolarHBondContact N-O 2.67Å; C64-K114 VanDerWaalsContact N-O 3.15Å; C64-A115 WeakPolarHBondContact O-CA 3.27Å; C64-I116 PolarHBondContact O-N 3.12Å; C64-G119 WeakPolarHBondContact SG-CA 3.28Å
65	L	95.3	Very high	94.9	Very high	57 Å²	57	38.4 Å²	38.4	30%	0.298	20%	0.201	S	C	.	.			trans	-89.5	2.9	176.1	-89	64.3	0	0	0	114.5	S26 L28 D62 K114 I116	S26-L65 PolarHBondContact O-N 3.39Å; L28-L65 HydrophobicContact CD2-CB 3.88Å; D62-L65 HydrophobicContact CB-CD1 3.57Å; L65-K114 HydrophobicContact CD1-CB 3.94Å; L65-I116 CarbonylContact C-O 3.34Å; L65-I116 VanDerWaalsContact C-O 3.31Å; L65-I116 HydrophobicContact CG-CB 4.43Å; L65-I116 HydrophobicContact CG-CG1 4.25Å
66	G	92.8	Very high	94.5	Very high	2 Å²	2	42 Å²	42	2%	0.021	22%	0.219	C	C	.	.			trans	108.2	-152	176.3	0	0	0	0	0	114.1	L28 I29 C64 I116	L28-G66 CarbonylContact C-O 3.6Å; L28-G66 VanDerWaalsContact CA-O 3.28Å; L28-G66 WeakPolarHBondContact CA-O 3.44Å; I29-G66 PolarHBondContact N-O 2.85Å; C64-G66 PolarHBondContact SG-N 3.29Å; G66-I116 PolarHBondContact N-O 3.47Å
67	L	91.6	Very high	94.2	Very high	9 Å²	9	48.9 Å²	48.9	5%	0.047	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-74.5	146.5	-178.8	-65.1	174.9	0	0	0	110.2	L28 I29 I69 L72 Y91 A118 M149	L28-L67 WeakPolarHBondContact CD2-O 3.25Å; I29-L67 HydrophobicContact CB-CD2 4.21Å; I29-L67 HydrophobicContact CG2-CD2 4.28Å; I29-L67 WeakPolarHBondContact O-CA 3.44Å; L67-I69 HydrophobicContact CB-CD1 3.91Å; L67-I69 WeakPolarHBondContact O-CG1 3.32Å; L67-I69 PolarHBondContact O-N 3.15Å; L67-L72 HydrophobicContact CD1-CD2 4.45Å; L67-Y91 WeakPolarHBondContact CD2-O 3.13Å; L67-A118 HydrophobicContact CD2-CB 4.38Å; L67-A118 HydrophobicContact CG-CB 3.79Å; L67-M149 HydrophobicContact CD1-CE 3.95Å
68	D	93.6	Very high	93.9	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.032	28%	0.28	C	S	.	.			trans	-69.1	83.7	167.5	-159	-30.4	0	0	0	108.4	R22 K25 L28 I29 D30 E70 E71 L72	R22-D68 IonicContact CZ-OD2 3.41Å; R22-D68 IonicContact NH1-OD2 3.03Å; R22-D68 PolarHBondContact NH1-OD2 3.22Å; R22-D68 IonicContact NH2-OD2 3.32Å; R22-D68 PolarHBondContact NH2-OD2 2.79Å; K25-D68 IonicContact NZ-OD2 2.79Å; K25-D68 PolarHBondContact NZ-OD2 2.85Å; L28-D68 HydrophobicContact CB-CB 4.19Å; I29-D68 PolarHBondContact O-N 2.97Å; D30-D68 HydrophobicContact CB-CB 4.11Å; D68-E70 PolarHBondContact O-N 2.66Å; D68-E71 HydrophobicContact CB-CB 4.13Å; D68-E71 PolarHBondContact O-N 2.89Å; D68-L72 PolarHBondContact O-N 2.88Å
69	I	89.2	Confident	93.6	Very high	59 Å²	59	57.9 Å²	57.9	30%	0.303	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-29.3	-172.6	-60.7	-61.1	0	0	0	111.7	L67 L72 T73 I146	L67-I69 HydrophobicContact CB-CD1 3.91Å; L67-I69 WeakPolarHBondContact O-CG1 3.32Å; L67-I69 PolarHBondContact O-N 3.15Å; I69-L72 HydrophobicContact CD1-CD2 4.48Å; I69-T73 VanDerWaalsContact O-CB 3.24Å; I69-T73 WeakPolarHBondContact O-CB 3.39Å; I69-T73 PolarHBondContact O-N 2.87Å; I69-T73 PolarHBondContact O-OG1 2.94Å; I69-I146 HydrophobicContact CD1-CD1 4.04Å; I69-I146 HydrophobicContact CD1-CG2 4.39Å; I69-I146 HydrophobicContact CG1-CD1 3.93Å; I69-I146 HydrophobicContact CG2-CD1 4.25Å
70	E	92.1	Very high	93.1	Very high	136 Å²	136	60.2 Å²	60.2	64%	0.636	31%	0.313	S	S	*	.	H	α-helix	trans	-63.7	-52.3	175.1	-172.8	174	-168.4	0	0	110.2	D68 L72 T73 D74	D68-E70 PolarHBondContact O-N 2.66Å; E70-L72 PolarHBondContact O-N 3.1Å; E70-T73 PolarHBondContact O-N 3.02Å; E70-D74 PolarHBondContact O-N 3.16Å
71	E	93.9	Very high	92.8	Very high	57 Å²	57	64.3 Å²	64.3	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-59.6	-45	175.8	-172.6	-156.2	-159	0	0	111.9	D30 Q31 D68 T73 D74 Y75 Y91	D30-E71 WeakPolarHBondContact CA-OE2 3.36Å; D30-E71 WeakPolarHBondContact CB-OE2 3.45Å; Q31-E71 PolarHBondContact N-OE1 3.31Å; Q31-E71 PolarHBondContact N-OE2 3.5Å; D68-E71 HydrophobicContact CB-CB 4.13Å; D68-E71 PolarHBondContact O-N 2.89Å; E71-T73 VanDerWaalsContact C-N 3.31Å; E71-T73 PolarHBondContact O-N 3.5Å; E71-D74 PolarHBondContact O-N 2.95Å; E71-Y75 WeakPolarHBondContact O-CB 3.18Å; E71-Y75 PolarHBondContact O-N 2.94Å; E71-Y91 WeakPolarHBondContact OE2-CE1 3.33Å
72	L	89.5	Confident	92.2	Very high	21 Å²	21	59 Å²	59	11%	0.11	31%	0.307	C	S	.	.	H	α-helix	trans	-59.6	-43.3	177.2	175.3	61.7	0	0	0	111.7	L67 D68 I69 E70 Y75 I76 L87 Y91	L67-L72 HydrophobicContact CD1-CD2 4.45Å; D68-L72 PolarHBondContact O-N 2.88Å; I69-L72 HydrophobicContact CD1-CD2 4.48Å; E70-L72 PolarHBondContact O-N 3.1Å; L72-Y75 PolarHBondContact O-N 3.14Å; L72-I76 HydrophobicContact CD1-CD1 3.87Å; L72-I76 HydrophobicContact CD1-CG1 4.24Å; L72-I76 HydrophobicContact CG-CD1 3.98Å; L72-I76 VanDerWaalsContact O-CG1 3.29Å; L72-I76 WeakPolarHBondContact O-CG1 3.28Å; L72-I76 PolarHBondContact O-N 3.35Å; L72-L87 HydrophobicContact CD1-CD2 4.2Å; L72-Y91 HydrophobicContact CB-CD1 4.45Å; L72-Y91 HydrophobicContact CB-CE1 4.07Å; L72-Y91 HydrophobicContact CD1-CD1 4.32Å; L72-Y91 HydrophobicContact CD1-CD2 3.63Å; L72-Y91 HydrophobicContact CD1-CE1 4.28Å; L72-Y91 HydrophobicContact CD1-CE2 3.59Å; L72-Y91 HydrophobicContact CD1-CG 4.01Å
73	T	89.8	Confident	91.6	Very high	56 Å²	56	62.2 Å²	62.2	34%	0.344	33%	0.325	S	S	.	.	H	α-helix	trans	-64.6	-44.8	179.7	-62	0	0	0	0	110.9	I69 E70 E71 I76 K77	I69-T73 VanDerWaalsContact O-CB 3.24Å; I69-T73 WeakPolarHBondContact O-CB 3.39Å; I69-T73 PolarHBondContact O-N 2.87Å; I69-T73 PolarHBondContact O-OG1 2.94Å; E70-T73 PolarHBondContact O-N 3.02Å; E71-T73 VanDerWaalsContact C-N 3.31Å; E71-T73 PolarHBondContact O-N 3.5Å; T73-I76 PolarHBondContact O-N 3.4Å; T73-K77 HydrophobicContact CG2-CD 4.28Å; T73-K77 WeakPolarHBondContact O-CG 3.49Å; T73-K77 PolarHBondContact O-N 3.28Å
74	D	93.6	Very high	90.8	Very high	69 Å²	69	68.7 Å²	68.7	37%	0.369	36%	0.36	S	S	.	.	H	α-helix	trans	-65.9	-40.2	178.6	-74.8	-12.7	0	0	0	111.6	E70 E71 K77 Q78	E70-D74 PolarHBondContact O-N 3.16Å; E71-D74 PolarHBondContact O-N 2.95Å; D74-K77 PolarHBondContact O-N 2.85Å; D74-Q78 WeakPolarHBondContact O-CB 3.47Å; D74-Q78 VanDerWaalsContact O-CG 3.25Å; D74-Q78 WeakPolarHBondContact O-CG 3.33Å; D74-Q78 PolarHBondContact O-N 3.41Å
75	Y	91.2	Very high	89.9	Confident	54 Å²	54	73.2 Å²	73.2	21%	0.212	39%	0.387	C	S	.	.	H	α-helix	trans	-60.6	-46.6	175.1	-175	-88.9	0	0	0	112	E71 L72 K77 Q78 N79 C82 L87 L90 Y91	E71-Y75 WeakPolarHBondContact O-CB 3.18Å; E71-Y75 PolarHBondContact O-N 2.94Å; L72-Y75 PolarHBondContact O-N 3.14Å; Y75-K77 PolarHBondContact O-N 2.83Å; Y75-Q78 PolarHBondContact O-N 3.08Å; Y75-N79 HydrophobicContact CE1-CB 4.2Å; Y75-N79 WeakPolarHBondContact O-CB 3.39Å; Y75-N79 PolarHBondContact O-N 2.91Å; Y75-N79 PolarHBondContact O-ND2 2.78Å; Y75-C82 HydrophobicContact CE1-CB 4.33Å; Y75-L87 HydrophobicContact CD1-CD2 3.68Å; Y75-L87 HydrophobicContact CE1-CD2 3.79Å; Y75-L90 HydrophobicContact CE1-CD1 3.79Å; Y75-L90 HydrophobicContact CE2-CD1 4.01Å; Y75-L90 VanDerWaalsContact CZ-CD1 3.42Å; Y75-L90 VanDerWaalsContact OH-CD1 3.26Å; Y75-L90 WeakPolarHBondContact OH-CD1 3.37Å; Y75-Y91 VanDerWaalsContact CB-OH 3.3Å; Y75-Y91 WeakPolarHBondContact CB-OH 3.26Å; Y75-Y91 HydrophobicContact CD1-CE2 4.23Å; Y75-Y91 HydrophobicContact CG-CE2 4.31Å
76	I	89.7	Confident	89	Confident	75 Å²	75	72.9 Å²	72.9	39%	0.385	39%	0.39	S	S	.	.	H	α-helix	trans	-62	-42.5	177.9	-69.9	167.6	0	0	0	111.1	L72 T73 Q78 N79 L87	L72-I76 HydrophobicContact CD1-CD1 3.87Å; L72-I76 HydrophobicContact CD1-CG1 4.24Å; L72-I76 HydrophobicContact CG-CD1 3.98Å; L72-I76 VanDerWaalsContact O-CG1 3.29Å; L72-I76 WeakPolarHBondContact O-CG1 3.28Å; L72-I76 PolarHBondContact O-N 3.35Å; T73-I76 PolarHBondContact O-N 3.4Å; I76-Q78 VanDerWaalsContact C-N 3.34Å; I76-Q78 PolarHBondContact O-N 2.9Å; I76-N79 CarbonylContact O-C 3.26Å; I76-N79 VanDerWaalsContact O-C 3.26Å; I76-N79 PolarHBondContact O-N 3.12Å; I76-L87 HydrophobicContact CD1-CD1 4.21Å; I76-L87 HydrophobicContact CG1-CD1 4.05Å; I76-L87 HydrophobicContact CG1-CD2 3.93Å
77	K	92.7	Very high	88.3	Confident	147 Å²	147	74.2 Å²	74.2	64%	0.639	40%	0.396	S	S	*	.	H	α-helix	trans	-63.2	-40.1	177.5	-74.3	171.6	-177	166.4	0	112.3	T73 D74 Y75	T73-K77 HydrophobicContact CG2-CD 4.28Å; T73-K77 WeakPolarHBondContact O-CG 3.49Å; T73-K77 PolarHBondContact O-N 3.28Å; D74-K77 PolarHBondContact O-N 2.85Å; Y75-K77 PolarHBondContact O-N 2.83Å
78	Q	93.2	Very high	87.7	Confident	145 Å²	145	76.3 Å²	76.3	68%	0.678	41%	0.408	S	S	*	.	H	α-helix	trans	-75.5	-26.7	179.5	-69.4	171.5	24.9	0	0	112.5	D74 Y75 I76 P80	D74-Q78 WeakPolarHBondContact O-CB 3.47Å; D74-Q78 VanDerWaalsContact O-CG 3.25Å; D74-Q78 WeakPolarHBondContact O-CG 3.33Å; D74-Q78 PolarHBondContact O-N 3.41Å; Y75-Q78 PolarHBondContact O-N 3.08Å; I76-Q78 VanDerWaalsContact C-N 3.34Å; I76-Q78 PolarHBondContact O-N 2.9Å; Q78-P80 VanDerWaalsContact C-CD 3.44Å; Q78-P80 WeakPolarHBondContact O-CD 3.37Å
79	N	91.4	Very high	86.9	Confident	59 Å²	59	81 Å²	81	32%	0.316	44%	0.437	S	S	.	.			trans	-123.9	65.6	-177.1	-56.5	-85.5	0	0	0	110.9	Y75 I76 T81 C82	Y75-N79 HydrophobicContact CE1-CB 4.2Å; Y75-N79 WeakPolarHBondContact O-CB 3.39Å; Y75-N79 PolarHBondContact O-N 2.91Å; Y75-N79 PolarHBondContact O-ND2 2.78Å; I76-N79 CarbonylContact O-C 3.26Å; I76-N79 VanDerWaalsContact O-C 3.26Å; I76-N79 PolarHBondContact O-N 3.12Å; N79-T81 PolarHBondContact O-N 3.43Å; N79-C82 HydrophobicContact CB-CB 3.94Å; N79-C82 WeakPolarHBondContact O-CB 3.42Å; N79-C82 PolarHBondContact O-N 3.02Å
80	P	87.3	Confident	86.3	Confident	109 Å²	109	79.9 Å²	79.9	71%	0.708	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.6	-172.9	27.1	-36	0	0	0	114.1	Q78	Q78-P80 VanDerWaalsContact C-CD 3.44Å; Q78-P80 WeakPolarHBondContact O-CD 3.37Å
81	T	89.4	Confident	85.7	Confident	137 Å²	137	73.9 Å²	73.9	84%	0.84	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-0.9	175.3	55.3	0	0	0	0	113.3	N79 D83	N79-T81 PolarHBondContact O-N 3.43Å; T81-D83 PolarHBondContact O-N 3.41Å
82	C	84.5	Confident	84.9	Confident	29 Å²	29	71.5 Å²	71.5	20%	0.196	39%	0.393	C	S	.	.			trans	-61.9	125.8	177.4	-168.1	0	0	0	0	109.6	Y75 N79 S86	Y75-C82 HydrophobicContact CE1-CB 4.33Å; N79-C82 HydrophobicContact CB-CB 3.94Å; N79-C82 WeakPolarHBondContact O-CB 3.42Å; N79-C82 PolarHBondContact O-N 3.02Å; C82-S86 WeakPolarHBondContact SG-CB 3.41Å
83	D	86.6	Confident	84.2	Confident	79 Å²	79	70.5 Å²	70.5	42%	0.422	39%	0.387	S	S	.	.			trans	-81.3	163.6	179.5	77.4	-14.9	0	0	0	111.7	T81 T85 S86 L87	T81-D83 PolarHBondContact O-N 3.41Å; D83-T85 PolarHBondContact O-N 3.32Å; D83-S86 PolarHBondContact O-N 2.91Å; D83-S86 WeakPolarHBondContact OD1-CB 3.44Å; D83-S86 PolarHBondContact OD1-N 2.63Å; D83-S86 PolarHBondContact OD1-OG 2.88Å; D83-L87 PolarHBondContact O-N 2.79Å; D83-L87 VanDerWaalsContact O-N 3.1Å
84	N	81.4	Confident	83.3	Confident	137 Å²	137	68.3 Å²	68.3	73%	0.733	37%	0.373	S	S	*	.	H	α-helix	trans	-60.3	-32.6	-179.5	-67.2	-22.8	0	0	0	112.3	N88	N84-N88 VanDerWaalsContact O-CB 3.26Å; N84-N88 WeakPolarHBondContact O-CB 3.34Å; N84-N88 PolarHBondContact O-N 3.14Å
85	T	78.5	Confident	81.8	Confident	94 Å²	94	66 Å²	66	58%	0.577	36%	0.363	S	S	*	.	H	α-helix	trans	-64.5	-44.1	179	-50	0	0	0	0	111.2	D83 N88 T89	D83-T85 PolarHBondContact O-N 3.32Å; T85-N88 PolarHBondContact O-N 2.78Å; T85-T89 PolarHBondContact O-N 3.42Å; T85-T89 PolarHBondContact O-OG1 3.35Å
86	S	77.7	Confident	80.3	Confident	51 Å²	51	66 Å²	66	36%	0.357	37%	0.369	S	S	.	.	H	α-helix	trans	-65.4	-48.8	177.1	-61.2	0	0	0	0	110.7	C82 D83 N88 T89 L90	C82-S86 WeakPolarHBondContact SG-CB 3.41Å; D83-S86 PolarHBondContact O-N 2.91Å; D83-S86 WeakPolarHBondContact OD1-CB 3.44Å; D83-S86 PolarHBondContact OD1-N 2.63Å; D83-S86 PolarHBondContact OD1-OG 2.88Å; S86-N88 VanDerWaalsContact C-N 3.28Å; S86-N88 PolarHBondContact O-N 2.72Å; S86-T89 WeakPolarHBondContact O-CB 3.16Å; S86-T89 PolarHBondContact O-N 3.25Å; S86-T89 VanDerWaalsContact O-N 3.08Å; S86-L90 VanDerWaalsContact O-CG 3.31Å; S86-L90 WeakPolarHBondContact O-CG 3.14Å; S86-L90 PolarHBondContact O-N 2.91Å
87	L	78.7	Confident	79	Confident	30 Å²	30	65.4 Å²	65.4	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-56.4	-43.6	176.3	-71.2	175.3	0	0	0	112.2	L72 Y75 I76 D83 T89 L90 Y91	L72-L87 HydrophobicContact CD1-CD2 4.2Å; Y75-L87 HydrophobicContact CD1-CD2 3.68Å; Y75-L87 HydrophobicContact CE1-CD2 3.79Å; I76-L87 HydrophobicContact CD1-CD1 4.21Å; I76-L87 HydrophobicContact CG1-CD1 4.05Å; I76-L87 HydrophobicContact CG1-CD2 3.93Å; D83-L87 PolarHBondContact O-N 2.79Å; D83-L87 VanDerWaalsContact O-N 3.1Å; L87-T89 VanDerWaalsContact C-N 3.35Å; L87-T89 PolarHBondContact O-N 3.27Å; L87-L90 PolarHBondContact O-N 3.42Å; L87-Y91 HydrophobicContact CD2-CE2 4.45Å; L87-Y91 PolarHBondContact O-N 3.04Å
88	N	77.3	Confident	77.2	Confident	53 Å²	53	62.3 Å²	62.3	28%	0.283	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-41.7	176.9	-174.9	48.7	0	0	0	112.2	N84 T85 S86 L90 S92 T96	N84-N88 VanDerWaalsContact O-CB 3.26Å; N84-N88 WeakPolarHBondContact O-CB 3.34Å; N84-N88 PolarHBondContact O-N 3.14Å; T85-N88 PolarHBondContact O-N 2.78Å; S86-N88 VanDerWaalsContact C-N 3.28Å; S86-N88 PolarHBondContact O-N 2.72Å; N88-L90 PolarHBondContact O-N 3.08Å; N88-S92 WeakPolarHBondContact O-CB 3.28Å; N88-S92 PolarHBondContact O-N 2.86Å; N88-S92 WeakPolarHBondContact OD1-CB 3.45Å; N88-T96 PolarHBondContact ND2-OG1 3.2Å; N88-T96 WeakPolarHBondContact OD1-CG2 3.39Å
89	T	77.5	Confident	75.3	Confident	105 Å²	105	60.9 Å²	60.9	64%	0.644	36%	0.364	S	S	*	.	H	α-helix	trans	-62.6	-34.6	176.6	-57	0	0	0	0	111.9	T85 S86 L87	T85-T89 PolarHBondContact O-N 3.42Å; T85-T89 PolarHBondContact O-OG1 3.35Å; S86-T89 WeakPolarHBondContact O-CB 3.16Å; S86-T89 PolarHBondContact O-N 3.25Å; S86-T89 VanDerWaalsContact O-N 3.08Å; L87-T89 VanDerWaalsContact C-N 3.35Å; L87-T89 PolarHBondContact O-N 3.27Å
90	L	76.1	Confident	73.8	Confident	35 Å²	35	63.8 Å²	63.8	18%	0.183	37%	0.374	C	S	.	.	H	α-helix	trans	-81.2	-39.7	-176	-67.7	-175.4	0	0	0	113.7	Q31 Y75 S86 L87 N88	Q31-L90 HydrophobicContact CG-CB 4.17Å; Q31-L90 HydrophobicContact CG-CD2 4.24Å; Y75-L90 HydrophobicContact CE1-CD1 3.79Å; Y75-L90 HydrophobicContact CE2-CD1 4.01Å; Y75-L90 VanDerWaalsContact CZ-CD1 3.42Å; Y75-L90 VanDerWaalsContact OH-CD1 3.26Å; Y75-L90 WeakPolarHBondContact OH-CD1 3.37Å; S86-L90 VanDerWaalsContact O-CG 3.31Å; S86-L90 WeakPolarHBondContact O-CG 3.14Å; S86-L90 PolarHBondContact O-N 2.91Å; L87-L90 PolarHBondContact O-N 3.42Å; N88-L90 PolarHBondContact O-N 3.08Å
91	Y	79.7	Confident	72.4	Confident	9 Å²	9	59.7 Å²	59.7	4%	0.035	35%	0.346	C	S	.	.	H	α-helix	trans	-110.9	-11.7	-169.6	-71	-85.3	0	0	0	114.1	Q31 L67 E71 L72 Y75 L87 C93	Q31-Y91 HydrophobicContact CB-CE1 4.36Å; L67-Y91 WeakPolarHBondContact CD2-O 3.13Å; E71-Y91 WeakPolarHBondContact OE2-CE1 3.33Å; L72-Y91 HydrophobicContact CB-CD1 4.45Å; L72-Y91 HydrophobicContact CB-CE1 4.07Å; L72-Y91 HydrophobicContact CD1-CD1 4.32Å; L72-Y91 HydrophobicContact CD1-CD2 3.63Å; L72-Y91 HydrophobicContact CD1-CE1 4.28Å; L72-Y91 HydrophobicContact CD1-CE2 3.59Å; L72-Y91 HydrophobicContact CD1-CG 4.01Å; Y75-Y91 VanDerWaalsContact CB-OH 3.3Å; Y75-Y91 WeakPolarHBondContact CB-OH 3.26Å; Y75-Y91 HydrophobicContact CD1-CE2 4.23Å; Y75-Y91 HydrophobicContact CG-CE2 4.31Å; L87-Y91 HydrophobicContact CD2-CE2 4.45Å; L87-Y91 PolarHBondContact O-N 3.04Å; Y91-C93 PolarHBondContact O-N 3.23Å
92	S	78.2	Confident	71.8	Confident	8 Å²	8	55.6 Å²	55.6	6%	0.056	32%	0.321	C	S	.	.			trans	-72.3	119.3	177.2	-169.9	0	0	0	0	110.2	N38 N88 L94	N38-S92 PolarHBondContact ND2-O 2.99Å; N88-S92 WeakPolarHBondContact O-CB 3.28Å; N88-S92 PolarHBondContact O-N 2.86Å; N88-S92 WeakPolarHBondContact OD1-CB 3.45Å; S92-L94 WeakPolarHBondContact CB-O 3.33Å; S92-L94 PolarHBondContact O-N 2.87Å; S92-L94 PolarHBondContact OG-N 2.99Å; S92-L94 PolarHBondContact OG-O 2.98Å
93	C	74.2	Confident	71.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-80.5	0.6	175.8	55.7	0	0	0	0	113.7	I29 L37 N38 Y91	I29-C93 HydrophobicContact CD1-CB 3.92Å; I29-C93 HydrophobicContact CG2-CB 4.24Å; L37-C93 HydrophobicContact CD2-CB 4.02Å; N38-C93 PolarHBondContact OD1-O 3.29Å; Y91-C93 PolarHBondContact O-N 3.23Å
94	L	70.4	Confident	72	Confident	10 Å²	10	54 Å²	54	5%	0.052	32%	0.315	C	S	.	.	S	Bend	trans	-146.3	160.5	-177.4	-66.8	165	0	0	0	109.9	L41 S92 T96 F103 L122 A125	L41-L94 HydrophobicContact CD1-CD2 4.3Å; S92-L94 WeakPolarHBondContact CB-O 3.33Å; S92-L94 PolarHBondContact O-N 2.87Å; S92-L94 PolarHBondContact OG-N 2.99Å; S92-L94 PolarHBondContact OG-O 2.98Å; L94-T96 PolarHBondContact O-N 3.17Å; L94-F103 HydrophobicContact CD2-CE2 4.25Å; L94-F103 HydrophobicContact CD2-CZ 4.24Å; L94-L122 HydrophobicContact CD1-CD1 4Å; L94-L122 HydrophobicContact CD2-CD1 3.93Å; L94-L122 HydrophobicContact CG-CD1 3.91Å; L94-A125 HydrophobicContact CD1-CB 3.17Å; L94-A125 HydrophobicContact CD2-CB 3.84Å; L94-A125 HydrophobicContact CG-CB 4.12Å
95	S	63.1	Low	72.6	Confident	21 Å²	21	48 Å²	48	15%	0.147	28%	0.282	C	S	.	.			trans	-59.5	129.2	166.4	-133.6	0	0	0	0	110	Y42 D97 K100	Y42-S95 WeakPolarHBondContact OH-CB 3.15Å; Y42-S95 PolarHBondContact OH-N 2.78Å; Y42-S95 PolarHBondContact OH-OG 3.33Å; S95-D97 VanDerWaalsContact C-N 3.29Å; S95-K100 WeakPolarHBondContact CB-O 3.46Å
96	T	59	Low	73.3	Confident	54 Å²	54	43.9 Å²	43.9	33%	0.331	26%	0.257	S	S	.	.			trans	-89.4	-2.8	162.3	62.5	0	0	0	0	111.8	N88 L94 S98	N88-T96 PolarHBondContact ND2-OG1 3.2Å; N88-T96 WeakPolarHBondContact OD1-CG2 3.39Å; L94-T96 PolarHBondContact O-N 3.17Å; T96-S98 PolarHBondContact O-N 2.95Å
97	D	63.4	Low	74.2	Confident	61 Å²	61	41.6 Å²	41.6	33%	0.326	24%	0.241	S	C	.	.			trans	-67.7	114.1	173.5	-176.9	-12.2	0	0	0	108.5	S95 T99 K100	S95-D97 VanDerWaalsContact C-N 3.29Å; D97-T99 PolarHBondContact O-N 2.9Å; D97-T99 WeakPolarHBondContact OD1-CB 3.09Å; D97-T99 PolarHBondContact OD1-N 2.69Å; D97-T99 PolarHBondContact OD1-OG1 3.4Å; D97-T99 PolarHBondContact OD2-OG1 3.27Å; D97-T99 VanDerWaalsContact OD2-OG1 3.09Å; D97-K100 HydrophobicContact CB-CB 4.27Å; D97-K100 HydrophobicContact CB-CD 4.5Å; D97-K100 HydrophobicContact CB-CG 4.45Å; D97-K100 CarbonylContact O-C 3.43Å; D97-K100 PolarHBondContact O-N 3.42Å
98	S	54.4	Low	75.1	Confident	83 Å²	83	40.2 Å²	40.2	58%	0.58	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-7.1	178.7	59.4	0	0	0	0	113.4	T96 L101	T96-S98 PolarHBondContact O-N 2.95Å; S98-L101 WeakPolarHBondContact O-CD1 3.24Å; S98-L101 WeakPolarHBondContact O-CG 3.5Å
99	T	52.9	Low	76.1	Confident	115 Å²	115	37.7 Å²	37.7	71%	0.706	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-15.9	171.1	69.7	0	0	0	0	112.8	D97	D97-T99 PolarHBondContact O-N 2.9Å; D97-T99 WeakPolarHBondContact OD1-CB 3.09Å; D97-T99 PolarHBondContact OD1-N 2.69Å; D97-T99 PolarHBondContact OD1-OG1 3.4Å; D97-T99 PolarHBondContact OD2-OG1 3.27Å; D97-T99 VanDerWaalsContact OD2-OG1 3.09Å
100	K	59.1	Low	77.1	Confident	120 Å²	120	32.7 Å²	32.7	52%	0.522	19%	0.189	S	C	.	.	S	Bend	trans	-117.9	39.4	179.9	-60.7	179.8	-175.4	173.2	0	111.6	S95 D97 T102	S95-K100 WeakPolarHBondContact CB-O 3.46Å; D97-K100 HydrophobicContact CB-CB 4.27Å; D97-K100 HydrophobicContact CB-CD 4.5Å; D97-K100 HydrophobicContact CB-CG 4.45Å; D97-K100 CarbonylContact O-C 3.43Å; D97-K100 PolarHBondContact O-N 3.42Å; K100-T102 PolarHBondContact O-N 3.43Å; K100-T102 VanDerWaalsContact O-N 3.13Å
101	L	58.5	Low	78.2	Confident	22 Å²	22	31 Å²	31	12%	0.115	18%	0.181	C	C	.	.			trans	-60.9	-25.5	-172.7	-73.6	152.5	0	0	0	114.1	S98 M151 R155 H227	S98-L101 WeakPolarHBondContact O-CD1 3.24Å; S98-L101 WeakPolarHBondContact O-CG 3.5Å; L101-M151 HydrophobicContact CD2-CE 3.16Å; L101-M151 HydrophobicContact CD2-SD 3.67Å; L101-R155 PolarHBondContact O-NH2 2.77Å; L101-R155 VanDerWaalsContact O-NH2 3.14Å; L101-H227 HydrophobicContact CD1-CB 3.87Å; L101-H227 WeakPolarHBondContact CD1-CD2 3.47Å
102	T	76.2	Confident	79.1	Confident	52 Å²	52	31.7 Å²	31.7	32%	0.319	19%	0.186	S	C	.	.	S	Bend	trans	-147.1	150	-168.8	68.6	0	0	0	0	111.5	K100 I223	K100-T102 PolarHBondContact O-N 3.43Å; K100-T102 VanDerWaalsContact O-N 3.13Å; T102-I223 HydrophobicContact CG2-CB 4.38Å; T102-I223 HydrophobicContact CG2-CD1 3.95Å; T102-I223 HydrophobicContact CG2-CG1 4.26Å; T102-I223 HydrophobicContact CG2-CG2 3.27Å
103	F	87.6	Confident	80.1	Confident	13 Å²	13	31.8 Å²	31.8	6%	0.057	19%	0.188	C	C	.	.			trans	-72.4	158.9	167.7	-52.9	-68	0	0	0	110.8	L41 Y42 F45 D46 L94 K105 L107 R219	L41-F103 HydrophobicContact CB-CE1 3.72Å; L41-F103 HydrophobicContact CB-CE2 4.44Å; L41-F103 HydrophobicContact CB-CZ 3.64Å; L41-F103 HydrophobicContact CD1-CE2 4.19Å; L41-F103 HydrophobicContact CD1-CZ 3.76Å; L41-F103 HydrophobicContact CD2-CE2 4.04Å; L41-F103 HydrophobicContact CD2-CZ 4.08Å; L41-F103 HydrophobicContact CG-CE2 4.47Å; L41-F103 HydrophobicContact CG-CZ 4.04Å; Y42-F103 HydrophobicContact CD1-CE1 4.35Å; Y42-F103 HydrophobicContact CE1-CE1 4.22Å; F45-F103 HydrophobicContact CD1-CB 4.1Å; F45-F103 HydrophobicContact CD1-CD1 4.38Å; F45-F103 HydrophobicContact CD1-CD2 4.37Å; F45-F103 HydrophobicContact CD1-CG 4Å; F45-F103 HydrophobicContact CE1-CB 3.57Å; F45-F103 HydrophobicContact CE1-CD2 4.04Å; F45-F103 AromaticContact CE1-CG 3.81Å; F45-F103 HydrophobicContact CE1-CG 3.81Å; D46-F103 HydrophobicContact CB-CD1 4.1Å; L94-F103 HydrophobicContact CD2-CE2 4.25Å; L94-F103 HydrophobicContact CD2-CZ 4.24Å; F103-K105 PolarHBondContact O-N 3.33Å; F103-L107 HydrophobicContact CD2-CD2 4.06Å; F103-L107 HydrophobicContact CE2-CD2 4.11Å; F103-R219 PolarHBondContact O-NH1 3.42Å; F103-R219 PolarHBondContact O-NH2 3Å; F103-R219 VanDerWaalsContact O-NH2 3.07Å
104	S	89.2	Confident	81.2	Confident	62 Å²	62	35.9 Å²	35.9	43%	0.434	21%	0.206	S	C	.	.	S	Bend	trans	-69.5	-20.9	178.2	64	0	0	0	0	113.3	D46 R219	D46-S104 VanDerWaalsContact OD1-CB 3.3Å; D46-S104 WeakPolarHBondContact OD1-CB 3.42Å; D46-S104 PolarHBondContact OD1-N 3.25Å; D46-S104 PolarHBondContact OD1-OG 3.47Å; S104-R219 PolarHBondContact O-NH1 3.45Å
105	K	92.1	Very high	82.5	Confident	9 Å²	9	35.4 Å²	35.4	4%	0.039	20%	0.204	C	C	.	.	S	Bend	trans	-114.2	148.1	-173.3	-68.6	165.6	-163.6	172.2	0	112.4	F45 D46 D48 I51 I52 F103 L107 R219	F45-K105 HydrophobicContact CE1-CB 4.24Å; F45-K105 HydrophobicContact CE2-CB 3.97Å; F45-K105 HydrophobicContact CZ-CB 3.61Å; F45-K105 WeakPolarHBondContact CZ-O 3.44Å; F45-K105 WeakPolarHBondContact O-CD 3.35Å; F45-K105 PolarHBondContact O-NZ 2.78Å; D46-K105 VanDerWaalsContact O-CE 3.27Å; D46-K105 WeakPolarHBondContact O-CE 3.42Å; D46-K105 PolarHBondContact O-NZ 2.93Å; D48-K105 VanDerWaalsContact C-NZ 3.35Å; D48-K105 PolarHBondContact O-NZ 2.94Å; I51-K105 VanDerWaalsContact O-CD 3.25Å; I51-K105 WeakPolarHBondContact O-CD 3.35Å; I51-K105 WeakPolarHBondContact O-CE 3.21Å; I51-K105 PolarHBondContact O-NZ 3.06Å; I52-K105 VanDerWaalsContact O-CB 3.28Å; I52-K105 WeakPolarHBondContact O-CB 3.5Å; I52-K105 WeakPolarHBondContact O-CG 3.38Å; F103-K105 PolarHBondContact O-N 3.33Å; K105-L107 PolarHBondContact O-N 3.02Å; K105-R219 PolarHBondContact O-NH2 3.44Å
106	P	94.4	Very high	84.1	Confident	9 Å²	9	35.1 Å²	35.1	6%	0.058	20%	0.2	C	C	.	.			trans	-53	125	171.3	-28.3	34	0	0	0	113.8	F45 G53 G54 D127 Y207 L215	F45-P106 WeakPolarHBondContact CZ-O 3.43Å; G53-P106 CarbonylContact C-O 3.49Å; G53-P106 VanDerWaalsContact CA-O 3.26Å; G53-P106 WeakPolarHBondContact CA-O 3.1Å; G54-P106 PolarHBondContact N-O 3.36Å; P106-D127 VanDerWaalsContact CA-OD2 3.31Å; P106-D127 WeakPolarHBondContact CA-OD2 3.41Å; P106-Y207 WeakPolarHBondContact CD-OH 3.3Å; P106-Y207 VanDerWaalsContact CG-OH 3.28Å; P106-Y207 WeakPolarHBondContact CG-OH 3.36Å; P106-L215 HydrophobicContact CG-CD2 4.49Å
107	L	96	Very high	85.7	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.3	173.9	-173.7	63.1	0	0	0	109.6	L41 F45 G54 L56 F103 K105 C126 D127 L128	L41-L107 HydrophobicContact CD2-CD2 3.93Å; F45-L107 HydrophobicContact CE1-CB 4.11Å; F45-L107 HydrophobicContact CE1-CD1 4.33Å; F45-L107 HydrophobicContact CE1-CD2 4.45Å; F45-L107 HydrophobicContact CE2-CD1 4.42Å; F45-L107 HydrophobicContact CZ-CB 3.91Å; F45-L107 HydrophobicContact CZ-CD1 4.12Å; G54-L107 WeakPolarHBondContact O-CA 3.49Å; L56-L107 HydrophobicContact CB-CD1 4.29Å; F103-L107 HydrophobicContact CD2-CD2 4.06Å; F103-L107 HydrophobicContact CE2-CD2 4.11Å; K105-L107 PolarHBondContact O-N 3.02Å; L107-C126 HydrophobicContact CG-CB 4.32Å; L107-C126 WeakPolarHBondContact O-CB 3.3Å; L107-D127 PolarHBondContact N-OD2 3.4Å; L107-D127 PolarHBondContact O-N 3.35Å; L107-L128 PolarHBondContact O-N 3.31Å
108	I	98	Very high	87	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.2	176.8	-53.3	-164.9	0	0	0	109.9	G54 V55 L56 L128 V130 M202 I203	G54-I108 PolarHBondContact O-N 3.43Å; V55-I108 CarbonylContact C-O 3.31Å; V55-I108 VanDerWaalsContact CA-O 3.27Å; V55-I108 WeakPolarHBondContact CA-O 3.47Å; L56-I108 PolarHBondContact N-O 2.99Å; I108-L128 CarbonylContact C-O 3.51Å; I108-L128 WeakPolarHBondContact CA-O 3.42Å; I108-L128 HydrophobicContact CD1-CB 4.31Å; I108-L128 HydrophobicContact CD1-CD1 4.1Å; I108-L128 HydrophobicContact CG1-CB 4.09Å; I108-L128 HydrophobicContact CG1-CD1 4.41Å; I108-L128 HydrophobicContact CG2-CB 4.29Å; I108-V130 HydrophobicContact CG2-CG2 3.91Å; I108-M202 HydrophobicContact CD1-CB 4.06Å; I108-M202 HydrophobicContact CD1-CG 3.95Å; I108-M202 HydrophobicContact CD1-SD 3.81Å; I108-I203 HydrophobicContact CB-CD1 4.39Å; I108-I203 HydrophobicContact CD1-CD1 4.04Å; I108-I203 HydrophobicContact CD1-CG1 3.42Å; I108-I203 VanDerWaalsContact CD1-CG1 3.42Å; I108-I203 HydrophobicContact CG1-CD1 3.9Å; I108-I203 HydrophobicContact CG1-CG1 3.79Å
109	A	98.6	Very high	88.9	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	116.8	167	0	0	0	0	0	109.9	L56 F63 I111 A123 C126 L128 R129 V130	L56-A109 CarbonylContact O-C 3.59Å; L56-A109 WeakPolarHBondContact O-CA 3.32Å; F63-A109 HydrophobicContact CE2-CB 4.36Å; F63-A109 HydrophobicContact CZ-CB 4.34Å; A109-I111 HydrophobicContact CB-CG1 4.26Å; A109-A123 HydrophobicContact CB-CB 3.85Å; A109-C126 HydrophobicContact CB-CB 3.96Å; A109-L128 PolarHBondContact N-O 3.09Å; A109-R129 HydrophobicContact CB-CG 3.92Å; A109-R129 WeakPolarHBondContact O-CA 3.3Å; A109-V130 PolarHBondContact O-N 2.86Å
110	A	98.9	Very high	91	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	100.6	169	0	0	0	0	0	108.8	V55 L56 F63 A195 I196	V55-A110 HydrophobicContact CG1-CB 3.62Å; L56-A110 PolarHBondContact O-N 3.46Å; F63-A110 WeakPolarHBondContact CD2-O 3.34Å; A110-A195 HydrophobicContact CB-CB 4.03Å; A110-I196 HydrophobicContact CB-CG1 4.02Å
111	I	98.9	Very high	92.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	105.4	-173.2	-56.7	171.3	0	0	0	108.9	F63 A109 A115 A123 R129 V130 A131 E132 S135 L137	F63-I111 HydrophobicContact CB-CB 4.5Å; F63-I111 HydrophobicContact CB-CG2 4.02Å; F63-I111 HydrophobicContact CD2-CG1 4.39Å; F63-I111 HydrophobicContact CG-CG1 4.36Å; F63-I111 HydrophobicContact CG-CG2 4.47Å; A109-I111 HydrophobicContact CB-CG1 4.26Å; I111-A115 HydrophobicContact CD1-CB 4.4Å; I111-A115 HydrophobicContact CG2-CB 3.81Å; I111-A123 HydrophobicContact CD1-CB 3.99Å; I111-A123 HydrophobicContact CG1-CB 4.38Å; I111-R129 HydrophobicContact CD1-CB 4.23Å; I111-R129 HydrophobicContact CD1-CG 4.16Å; I111-V130 PolarHBondContact N-O 3.4Å; I111-A131 HydrophobicContact CB-CB 4.14Å; I111-A131 WeakPolarHBondContact O-CA 3.18Å; I111-E132 PolarHBondContact O-N 2.87Å; I111-S135 PolarHBondContact O-OG 3.34Å; I111-L137 HydrophobicContact CD1-CD2 4Å; I111-L137 HydrophobicContact CD1-CG 4.48Å
112	T	98.7	Very high	94.3	Very high	23 Å²	23	13.6 Å²	13.6	14%	0.141	8%	0.079	C	C	.	.			trans	-95.8	140.2	165.6	-63.3	0	0	0	0	108.6	D62 F63 K114 E132	D62-T112 CarbonylContact C-O 3.6Å; D62-T112 WeakPolarHBondContact CA-O 3.41Å; F63-T112 PolarHBondContact N-O 2.93Å; T112-K114 PolarHBondContact O-N 3.36Å; T112-E132 WeakPolarHBondContact CG2-OE2 3.32Å; T112-E132 VanDerWaalsContact OG1-CD 3.27Å; T112-E132 PolarHBondContact OG1-OE1 3.43Å
113	G	98.4	Very high	95.2	Very high	11 Å²	11	11.1 Å²	11.1	11%	0.113	6%	0.063	C	C	.	.	S	Bend	trans	52.5	-123.7	-180	0	0	0	0	0	113.3	K61 S135 I136	K61-G113 WeakPolarHBondContact O-CA 3.43Å; G113-S135 PolarHBondContact N-OG 3.34Å; G113-S135 CarbonylContact O-C 3.57Å; G113-S135 WeakPolarHBondContact O-CA 3.39Å; G113-S135 WeakPolarHBondContact O-CB 3.14Å; G113-S135 PolarHBondContact O-OG 2.79Å; G113-I136 PolarHBondContact O-N 3.47Å; G113-I136 VanDerWaalsContact O-N 3.09Å
114	K	98.3	Very high	95.6	Very high	86 Å²	86	10.8 Å²	10.8	37%	0.374	6%	0.062	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.9	-171.8	-56.2	176.7	-178.3	-179.7	0	114.1	D62 F63 C64 L65 T112 I116 I136	D62-K114 VanDerWaalsContact OD1-CB 3.24Å; D62-K114 WeakPolarHBondContact OD1-CB 3.43Å; D62-K114 VanDerWaalsContact OD1-CG 3.25Å; D62-K114 WeakPolarHBondContact OD1-CG 3.42Å; D62-K114 PolarHBondContact OD1-N 3.44Å; F63-K114 WeakPolarHBondContact CB-O 3.37Å; F63-K114 PolarHBondContact N-O 3.01Å; F63-K114 VanDerWaalsContact N-O 3.12Å; C64-K114 PolarHBondContact N-O 2.67Å; C64-K114 VanDerWaalsContact N-O 3.15Å; L65-K114 HydrophobicContact CD1-CB 3.94Å; T112-K114 PolarHBondContact O-N 3.36Å; K114-I116 HydrophobicContact CB-CD1 4.06Å; K114-I116 HydrophobicContact CB-CG1 3.88Å; K114-I136 WeakPolarHBondContact CA-O 3.5Å; K114-I136 HydrophobicContact CG-CB 4.31Å
115	A	97.8	Very high	95.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	101.3	164.8	0	0	0	0	0	109.1	F63 C64 I111 I136 L137 S138	F63-A115 HydrophobicContact CB-CB 4.29Å; F63-A115 HydrophobicContact CD1-CB 3.75Å; F63-A115 HydrophobicContact CG-CB 4.34Å; C64-A115 WeakPolarHBondContact O-CA 3.27Å; I111-A115 HydrophobicContact CD1-CB 4.4Å; I111-A115 HydrophobicContact CG2-CB 3.81Å; A115-I136 PolarHBondContact N-O 3.36Å; A115-L137 HydrophobicContact CB-CG 4.5Å; A115-L137 WeakPolarHBondContact O-CA 3.47Å; A115-S138 PolarHBondContact O-N 2.81Å
116	I	95.2	Very high	95.8	Very high	14 Å²	14	8.3 Å²	8.3	7%	0.072	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.9	-168.3	-55	-47.6	0	0	0	112.1	C64 L65 G66 K114 A118 G119 L120 I136 S138 H140	C64-I116 PolarHBondContact O-N 3.12Å; L65-I116 CarbonylContact C-O 3.34Å; L65-I116 VanDerWaalsContact C-O 3.31Å; L65-I116 HydrophobicContact CG-CB 4.43Å; L65-I116 HydrophobicContact CG-CG1 4.25Å; G66-I116 PolarHBondContact N-O 3.47Å; K114-I116 HydrophobicContact CB-CD1 4.06Å; K114-I116 HydrophobicContact CB-CG1 3.88Å; I116-A118 PolarHBondContact O-N 3.33Å; I116-A118 VanDerWaalsContact O-N 3.14Å; I116-G119 WeakPolarHBondContact O-CA 3.05Å; I116-G119 PolarHBondContact O-N 2.97Å; I116-L120 PolarHBondContact O-N 3.15Å; I116-I136 HydrophobicContact CD1-CG2 4.47Å; I116-S138 CarbonylContact C-O 3.41Å; I116-S138 VanDerWaalsContact CA-O 3.26Å; I116-S138 WeakPolarHBondContact CA-O 3.36Å; I116-H140 WeakPolarHBondContact CD1-CE1 3.49Å; I116-H140 VanDerWaalsContact CD1-ND1 3.3Å; I116-H140 WeakPolarHBondContact CD1-ND1 3.35Å; I116-H140 HydrophobicContact CG2-CB 3.7Å; I116-H140 WeakPolarHBondContact CG2-ND1 3.29Å
117	G	92.4	Very high	95.8	Very high	2 Å²	2	9.7 Å²	9.7	2%	0.021	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-119.8	169.5	0	0	0	0	0	111.1	G119 L120 E121 S138 L139	G117-G119 PolarHBondContact O-N 3.41Å; G117-L120 WeakPolarHBondContact O-CB 3.36Å; G117-L120 PolarHBondContact O-N 2.9Å; G117-L120 VanDerWaalsContact O-N 3.08Å; G117-E121 WeakPolarHBondContact O-CG 3.41Å; G117-E121 PolarHBondContact O-N 3.15Å; G117-S138 PolarHBondContact N-O 2.98Å; G117-L139 WeakPolarHBondContact CA-O 3.5Å
118	A	91.3	Very high	95.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.6	-22.8	176.7	0	0	0	0	0	113.6	L67 I116 E121 L122 N150	L67-A118 HydrophobicContact CD2-CB 4.38Å; L67-A118 HydrophobicContact CG-CB 3.79Å; I116-A118 PolarHBondContact O-N 3.33Å; I116-A118 VanDerWaalsContact O-N 3.14Å; A118-E121 VanDerWaalsContact CA-OE2 3.32Å; A118-E121 WeakPolarHBondContact CA-OE2 3.44Å; A118-E121 PolarHBondContact N-OE2 3.28Å; A118-E121 PolarHBondContact O-N 2.95Å; A118-L122 WeakPolarHBondContact O-CB 3.47Å; A118-L122 PolarHBondContact O-N 3.18Å; A118-N150 WeakPolarHBondContact CB-ND2 3.46Å
119	G	95	Very high	95.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-71.1	-39.7	171.4	0	0	0	0	0	111.6	F63 C64 I116 G117 L122 A123	F63-G119 VanDerWaalsContact CE1-O 3.28Å; F63-G119 WeakPolarHBondContact CE1-O 3.48Å; C64-G119 WeakPolarHBondContact SG-CA 3.28Å; I116-G119 WeakPolarHBondContact O-CA 3.05Å; I116-G119 PolarHBondContact O-N 2.97Å; G117-G119 PolarHBondContact O-N 3.41Å; G119-L122 WeakPolarHBondContact O-CB 3.5Å; G119-L122 PolarHBondContact O-N 3.46Å; G119-A123 PolarHBondContact O-N 2.84Å; G119-A123 VanDerWaalsContact O-N 3.09Å
120	L	95.7	Very high	95.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.8	-48.2	168.5	-177.6	53.1	0	0	0	110.2	I116 G117 L122 A123 L124 L137 L139 M168	I116-L120 PolarHBondContact O-N 3.15Å; G117-L120 WeakPolarHBondContact O-CB 3.36Å; G117-L120 PolarHBondContact O-N 2.9Å; G117-L120 VanDerWaalsContact O-N 3.08Å; L120-L122 PolarHBondContact O-N 2.97Å; L120-A123 CarbonylContact O-C 3.6Å; L120-A123 WeakPolarHBondContact O-CA 3.34Å; L120-A123 WeakPolarHBondContact O-CB 3.4Å; L120-A123 PolarHBondContact O-N 2.81Å; L120-L124 HydrophobicContact CD1-CD2 4.03Å; L120-L124 HydrophobicContact CD1-CG 4.29Å; L120-L124 HydrophobicContact CG-CD1 4.44Å; L120-L124 HydrophobicContact CG-CD2 4.45Å; L120-L124 HydrophobicContact CG-CG 4.28Å; L120-L124 VanDerWaalsContact O-CG 3.3Å; L120-L124 WeakPolarHBondContact O-CG 3.03Å; L120-L124 PolarHBondContact O-N 2.94Å; L120-L137 HydrophobicContact CD1-CB 4.13Å; L120-L137 HydrophobicContact CD1-CD2 3.81Å; L120-L137 HydrophobicContact CD1-CG 4.24Å; L120-L137 HydrophobicContact CD2-CB 4.43Å; L120-L139 HydrophobicContact CD2-CD2 3.95Å; L120-L139 HydrophobicContact CD2-CG 4.26Å; L120-M168 HydrophobicContact CD2-CE 4.07Å
121	E	93.2	Very high	95.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-55.3	-36.9	178.3	-62.9	174.2	90	0	0	112.5	G117 A118 L124 A125 K141 M148 M149 N150 G152	G117-E121 WeakPolarHBondContact O-CG 3.41Å; G117-E121 PolarHBondContact O-N 3.15Å; A118-E121 VanDerWaalsContact CA-OE2 3.32Å; A118-E121 WeakPolarHBondContact CA-OE2 3.44Å; A118-E121 PolarHBondContact N-OE2 3.28Å; A118-E121 PolarHBondContact O-N 2.95Å; E121-L124 PolarHBondContact O-N 3.08Å; E121-A125 PolarHBondContact O-N 3.17Å; E121-K141 IonicContact OE2-NZ 2.78Å; E121-K141 PolarHBondContact OE2-NZ 2.76Å; E121-M148 HydrophobicContact CG-CE 3.7Å; E121-M148 WeakPolarHBondContact OE1-CA 3.43Å; E121-M148 WeakPolarHBondContact OE1-CB 3.25Å; E121-M149 PolarHBondContact OE1-N 2.87Å; E121-N150 HydrophobicContact CB-CB 3.76Å; E121-N150 HydrophobicContact CG-CB 4.44Å; E121-N150 WeakPolarHBondContact OE1-CA 3.45Å; E121-N150 PolarHBondContact OE1-N 2.8Å; E121-G152 PolarHBondContact OE1-N 2.89Å
122	L	94	Very high	95.9	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-64.7	-45.4	173.2	-179.1	60.5	0	0	0	112.1	L20 I29 L37 L56 F63 L94 A118 G119 L120 L124 A125	L20-L122 HydrophobicContact CD1-CD2 3.94Å; I29-L122 HydrophobicContact CD1-CD2 4.06Å; L37-L122 HydrophobicContact CD2-CD1 4.04Å; L37-L122 HydrophobicContact CD2-CD2 3.94Å; L56-L122 HydrophobicContact CD2-CD1 3.74Å; L56-L122 HydrophobicContact CD2-CD2 3.92Å; L56-L122 HydrophobicContact CD2-CG 3.59Å; F63-L122 HydrophobicContact CZ-CD2 4.49Å; L94-L122 HydrophobicContact CD1-CD1 4Å; L94-L122 HydrophobicContact CD2-CD1 3.93Å; L94-L122 HydrophobicContact CG-CD1 3.91Å; A118-L122 WeakPolarHBondContact O-CB 3.47Å; A118-L122 PolarHBondContact O-N 3.18Å; G119-L122 WeakPolarHBondContact O-CB 3.5Å; G119-L122 PolarHBondContact O-N 3.46Å; L120-L122 PolarHBondContact O-N 2.97Å; L122-L124 VanDerWaalsContact C-N 3.29Å; L122-L124 PolarHBondContact O-N 3.05Å; L122-A125 WeakPolarHBondContact O-CB 3.28Å; L122-A125 PolarHBondContact O-N 2.86Å; L122-A125 VanDerWaalsContact O-N 3.16Å
123	A	96.7	Very high	95.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.8	-32.7	174.2	0	0	0	0	0	112.9	F63 A109 I111 G119 L120 A125 C126 R129	F63-A123 HydrophobicContact CE1-CB 3.86Å; F63-A123 HydrophobicContact CZ-CB 4.13Å; A109-A123 HydrophobicContact CB-CB 3.85Å; I111-A123 HydrophobicContact CD1-CB 3.99Å; I111-A123 HydrophobicContact CG1-CB 4.38Å; G119-A123 PolarHBondContact O-N 2.84Å; G119-A123 VanDerWaalsContact O-N 3.09Å; L120-A123 CarbonylContact O-C 3.6Å; L120-A123 WeakPolarHBondContact O-CA 3.34Å; L120-A123 WeakPolarHBondContact O-CB 3.4Å; L120-A123 PolarHBondContact O-N 2.81Å; A123-A125 PolarHBondContact O-N 2.93Å; A123-C126 WeakPolarHBondContact O-CB 3.49Å; A123-C126 PolarHBondContact O-N 2.96Å; A123-R129 HydrophobicContact CB-CG 4.36Å; A123-R129 WeakPolarHBondContact O-CD 3.4Å; A123-R129 PolarHBondContact O-NH1 2.97Å
124	L	94.3	Very high	95.9	Very high	6 Å²	6	18 Å²	18	3%	0.031	9%	0.093	C	C	.	.	H	α-helix	trans	-69.8	-20.4	175.9	-59.2	-175	0	0	0	113.1	L120 E121 L122 C126 R155 L156 L159 L185	L120-L124 HydrophobicContact CD1-CD2 4.03Å; L120-L124 HydrophobicContact CD1-CG 4.29Å; L120-L124 HydrophobicContact CG-CD1 4.44Å; L120-L124 HydrophobicContact CG-CD2 4.45Å; L120-L124 HydrophobicContact CG-CG 4.28Å; L120-L124 VanDerWaalsContact O-CG 3.3Å; L120-L124 WeakPolarHBondContact O-CG 3.03Å; L120-L124 PolarHBondContact O-N 2.94Å; E121-L124 PolarHBondContact O-N 3.08Å; L122-L124 VanDerWaalsContact C-N 3.29Å; L122-L124 PolarHBondContact O-N 3.05Å; L124-C126 VanDerWaalsContact C-N 3.33Å; L124-R155 HydrophobicContact CB-CB 4.21Å; L124-R155 WeakPolarHBondContact O-CD 3.36Å; L124-L156 HydrophobicContact CD1-CB 3.95Å; L124-L156 HydrophobicContact CD1-CD1 3.98Å; L124-L159 HydrophobicContact CB-CD1 4.24Å; L124-L159 HydrophobicContact CD2-CD1 3.83Å; L124-L159 HydrophobicContact CG-CD1 4.47Å; L124-L185 HydrophobicContact CD2-CD1 3.49Å; L124-L185 VanDerWaalsContact CD2-CD1 3.49Å; L124-L185 HydrophobicContact CD2-CG 4.27Å
125	A	91.7	Very high	95.9	Very high	13 Å²	13	13.9 Å²	13.9	11%	0.107	8%	0.075	C	C	.	.	H	α-helix	trans	-80.9	-16.1	176.1	0	0	0	0	0	113.6	L94 E121 L122 A123	L94-A125 HydrophobicContact CD1-CB 3.17Å; L94-A125 HydrophobicContact CD2-CB 3.84Å; L94-A125 HydrophobicContact CG-CB 4.12Å; E121-A125 PolarHBondContact O-N 3.17Å; L122-A125 WeakPolarHBondContact O-CB 3.28Å; L122-A125 PolarHBondContact O-N 2.86Å; L122-A125 VanDerWaalsContact O-N 3.16Å; A123-A125 PolarHBondContact O-N 2.93Å
126	C	94.8	Very high	95.9	Very high	6 Å²	6	15.1 Å²	15.1	4%	0.041	8%	0.082	C	C	.	.	S	Bend	trans	-73.2	155	168.4	-59.5	0	0	0	0	109.8	L107 A109 A123 L124 R129	L107-C126 HydrophobicContact CG-CB 4.32Å; L107-C126 WeakPolarHBondContact O-CB 3.3Å; A109-C126 HydrophobicContact CB-CB 3.96Å; A123-C126 WeakPolarHBondContact O-CB 3.49Å; A123-C126 PolarHBondContact O-N 2.96Å; L124-C126 VanDerWaalsContact C-N 3.33Å; C126-R129 PolarHBondContact O-NH1 3.16Å
127	D	94.3	Very high	96.1	Very high	39 Å²	39	14.5 Å²	14.5	21%	0.209	8%	0.078	C	C	.	.	S	Bend	trans	-65.7	-47.5	177.2	-62.2	-75.8	0	0	0	110.9	P106 L107 R129 R219	P106-D127 VanDerWaalsContact CA-OD2 3.31Å; P106-D127 WeakPolarHBondContact CA-OD2 3.41Å; L107-D127 PolarHBondContact N-OD2 3.4Å; L107-D127 PolarHBondContact O-N 3.35Å; D127-R129 PolarHBondContact O-NH2 2.79Å; D127-R219 IonicContact OD1-CZ 3.17Å; D127-R219 IonicContact OD1-NE 3.15Å; D127-R219 PolarHBondContact OD1-NE 2.9Å; D127-R219 IonicContact OD1-NH2 2.9Å; D127-R219 PolarHBondContact OD1-NH2 2.88Å; D127-R219 IonicContact OD2-CZ 3.08Å; D127-R219 IonicContact OD2-NE 2.76Å; D127-R219 PolarHBondContact OD2-NE 3.35Å; D127-R219 VanDerWaalsContact OD2-NE 3.08Å; D127-R219 IonicContact OD2-NH2 2.78Å; D127-R219 PolarHBondContact OD2-NH2 3.4Å
128	L	97.1	Very high	96.2	Very high	40 Å²	40	14.4 Å²	14.4	21%	0.209	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.4	-172.3	-54.8	169.3	0	0	0	110.2	L107 I108 A109 N187 M202 I206	L107-L128 PolarHBondContact O-N 3.31Å; I108-L128 CarbonylContact C-O 3.51Å; I108-L128 WeakPolarHBondContact CA-O 3.42Å; I108-L128 HydrophobicContact CD1-CB 4.31Å; I108-L128 HydrophobicContact CD1-CD1 4.1Å; I108-L128 HydrophobicContact CG1-CB 4.09Å; I108-L128 HydrophobicContact CG1-CD1 4.41Å; I108-L128 HydrophobicContact CG2-CB 4.29Å; A109-L128 PolarHBondContact N-O 3.09Å; L128-N187 VanDerWaalsContact CA-OD1 3.3Å; L128-N187 WeakPolarHBondContact CA-OD1 3.48Å; L128-N187 HydrophobicContact CD2-CB 4.47Å; L128-M202 HydrophobicContact CB-CE 4.47Å; L128-M202 HydrophobicContact CD1-CE 3.27Å; L128-M202 HydrophobicContact CD1-SD 4.22Å; L128-M202 HydrophobicContact CD2-CE 4.49Å; L128-M202 HydrophobicContact CG-CE 4.26Å; L128-I206 HydrophobicContact CD1-CD1 4.35Å
129	R	98.6	Very high	96.1	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.015	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128	177.6	-74.3	150.4	-66	-72.2	-10.4	109.9	A109 I111 A123 C126 D127 L185 V186 N187 R188	A109-R129 HydrophobicContact CB-CG 3.92Å; A109-R129 WeakPolarHBondContact O-CA 3.3Å; I111-R129 HydrophobicContact CD1-CB 4.23Å; I111-R129 HydrophobicContact CD1-CG 4.16Å; A123-R129 HydrophobicContact CB-CG 4.36Å; A123-R129 WeakPolarHBondContact O-CD 3.4Å; A123-R129 PolarHBondContact O-NH1 2.97Å; C126-R129 PolarHBondContact O-NH1 3.16Å; D127-R129 PolarHBondContact O-NH2 2.79Å; R129-L185 VanDerWaalsContact CD-O 3.28Å; R129-L185 WeakPolarHBondContact CD-O 3.43Å; R129-L185 PolarHBondContact NE-O 2.75Å; R129-V186 HydrophobicContact CB-CG2 4.35Å; R129-N187 PolarHBondContact N-OD1 3.44Å; R129-N187 PolarHBondContact O-N 2.99Å; R129-R188 PolarHBondContact O-N 2.85Å
130	V	98.9	Very high	95.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.9	168.2	179.9	0	0	0	0	106.6	I108 A109 I111 R188 A190 A195 V198 S199 M202	I108-V130 HydrophobicContact CG2-CG2 3.91Å; A109-V130 PolarHBondContact O-N 2.86Å; I111-V130 PolarHBondContact N-O 3.4Å; V130-R188 WeakPolarHBondContact CA-O 3.26Å; V130-R188 HydrophobicContact CG1-CB 4.32Å; V130-R188 HydrophobicContact CG2-CB 4.22Å; V130-A190 HydrophobicContact CG1-CB 3.88Å; V130-A195 HydrophobicContact CG1-CB 4.3Å; V130-V198 HydrophobicContact CG1-CB 4.01Å; V130-V198 HydrophobicContact CG1-CG1 3.71Å; V130-V198 HydrophobicContact CG2-CG1 4.38Å; V130-S199 WeakPolarHBondContact CB-OG 3.12Å; V130-S199 WeakPolarHBondContact CG2-OG 3.46Å; V130-M202 HydrophobicContact CG2-SD 4.35Å
131	A	98.9	Very high	93.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.3	179.6	0	0	0	0	0	111	I111 L137 A177 V186 R188 V189 A190	I111-A131 HydrophobicContact CB-CB 4.14Å; I111-A131 WeakPolarHBondContact O-CA 3.18Å; A131-L137 HydrophobicContact CB-CD1 4.47Å; A131-A177 HydrophobicContact CB-CB 4.18Å; A131-V186 HydrophobicContact CB-CB 4.48Å; A131-V186 HydrophobicContact CB-CG1 3.86Å; A131-V186 HydrophobicContact CB-CG2 3.76Å; A131-R188 PolarHBondContact N-O 3.48Å; A131-V189 CarbonylContact O-C 3.57Å; A131-V189 VanDerWaalsContact O-CA 3.27Å; A131-V189 WeakPolarHBondContact O-CA 3.33Å; A131-A190 PolarHBondContact O-N 2.99Å
132	E	98.9	Very high	92.3	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.014	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	153.1	170.7	-62.4	-174.1	173.8	0	0	110.5	I111 T112 D134 S135 A177 A190 T192 G193 T194 A195	I111-E132 PolarHBondContact O-N 2.87Å; T112-E132 WeakPolarHBondContact CG2-OE2 3.32Å; T112-E132 VanDerWaalsContact OG1-CD 3.27Å; T112-E132 PolarHBondContact OG1-OE1 3.43Å; E132-D134 WeakPolarHBondContact CB-OD1 3.35Å; E132-D134 PolarHBondContact O-N 3.35Å; E132-D134 VanDerWaalsContact O-N 3.13Å; E132-S135 PolarHBondContact N-OG 3.42Å; E132-S135 WeakPolarHBondContact O-CB 3.38Å; E132-S135 PolarHBondContact O-N 3.13Å; E132-S135 PolarHBondContact O-OG 2.95Å; E132-A177 WeakPolarHBondContact O-CB 3.38Å; E132-A190 CarbonylContact C-O 3.47Å; E132-A190 VanDerWaalsContact CA-O 3.31Å; E132-A190 WeakPolarHBondContact CA-O 3.22Å; E132-T192 WeakPolarHBondContact OE2-CA 3.19Å; E132-G193 VanDerWaalsContact OE1-CA 3.25Å; E132-G193 WeakPolarHBondContact OE1-CA 3.45Å; E132-G193 PolarHBondContact OE1-N 2.94Å; E132-G193 PolarHBondContact OE2-N 3.2Å; E132-T194 PolarHBondContact OE1-N 2.9Å; E132-A195 HydrophobicContact CG-CB 3.59Å; E132-A195 PolarHBondContact OE1-N 3.34Å
133	I	98.6	Very high	91.4	Very high	79 Å²	79	30.9 Å²	30.9	41%	0.405	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.1	-173.7	-171.8	62.5	0	0	0	113.2	N178 V189 A190 T192	I133-N178 WeakPolarHBondContact CD1-ND2 3.49Å; I133-N178 WeakPolarHBondContact CD1-OD1 3.41Å; I133-V189 HydrophobicContact CB-CG1 4.05Å; I133-V189 HydrophobicContact CD1-CG1 3.58Å; I133-V189 HydrophobicContact CG1-CG1 4.42Å; I133-A190 PolarHBondContact N-O 3.23Å; I133-T192 WeakPolarHBondContact CG2-OG1 3.48Å
134	D	98.2	Very high	90.5	Very high	84 Å²	84	37.1 Å²	37.1	45%	0.449	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	4.4	178.4	60.8	-33.6	0	0	0	113.4	E132 T192	E132-D134 WeakPolarHBondContact CB-OD1 3.35Å; E132-D134 PolarHBondContact O-N 3.35Å; E132-D134 VanDerWaalsContact O-N 3.13Å; D134-T192 VanDerWaalsContact CG-OG1 3.24Å; D134-T192 WeakPolarHBondContact OD1-CG2 3.28Å; D134-T192 PolarHBondContact OD1-OG1 3.07Å
135	S	98.7	Very high	89.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.			trans	-67.7	144.6	179.2	-70	0	0	0	0	113.3	I111 G113 E132 A177	I111-S135 PolarHBondContact O-OG 3.34Å; G113-S135 PolarHBondContact N-OG 3.34Å; G113-S135 CarbonylContact O-C 3.57Å; G113-S135 WeakPolarHBondContact O-CA 3.39Å; G113-S135 WeakPolarHBondContact O-CB 3.14Å; G113-S135 PolarHBondContact O-OG 2.79Å; E132-S135 PolarHBondContact N-OG 3.42Å; E132-S135 WeakPolarHBondContact O-CB 3.38Å; E132-S135 PolarHBondContact O-N 3.13Å; E132-S135 PolarHBondContact O-OG 2.95Å; S135-A177 PolarHBondContact O-N 2.91Å
136	I	98.2	Very high	89.3	Confident	27 Å²	27	44.2 Å²	44.2	14%	0.138	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.2	176.8	-62.1	171.9	0	0	0	108.9	G113 K114 A115 I116 E174	G113-I136 PolarHBondContact O-N 3.47Å; G113-I136 VanDerWaalsContact O-N 3.09Å; K114-I136 WeakPolarHBondContact CA-O 3.5Å; K114-I136 HydrophobicContact CG-CB 4.31Å; A115-I136 PolarHBondContact N-O 3.36Å; I116-I136 HydrophobicContact CD1-CG2 4.47Å; I136-E174 HydrophobicContact CG2-CB 3.77Å; I136-E174 HydrophobicContact CG2-CG 3.69Å
137	L	98.1	Very high	88.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.9	174.9	-64.9	79.3	0	0	0	107.7	I111 A115 L120 A131 L175 A180 L185 V186	I111-L137 HydrophobicContact CD1-CD2 4Å; I111-L137 HydrophobicContact CD1-CG 4.48Å; A115-L137 HydrophobicContact CB-CG 4.5Å; A115-L137 WeakPolarHBondContact O-CA 3.47Å; L120-L137 HydrophobicContact CD1-CB 4.13Å; L120-L137 HydrophobicContact CD1-CD2 3.81Å; L120-L137 HydrophobicContact CD1-CG 4.24Å; L120-L137 HydrophobicContact CD2-CB 4.43Å; A131-L137 HydrophobicContact CB-CD1 4.47Å; L137-L175 HydrophobicContact CB-CB 4.45Å; L137-L175 PolarHBondContact N-O 2.92Å; L137-L175 WeakPolarHBondContact O-CB 3.32Å; L137-L175 PolarHBondContact O-N 3.49Å; L137-A180 HydrophobicContact CD1-CB 4.27Å; L137-A180 HydrophobicContact CD2-CB 4.41Å; L137-L185 HydrophobicContact CD2-CD2 3.87Å; L137-L185 HydrophobicContact CD2-CG 4.34Å; L137-V186 HydrophobicContact CD1-CG2 4.43Å; L137-V186 HydrophobicContact CD2-CG2 3.84Å
138	S	94.7	Very high	88.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.3	173.9	-170.5	0	0	0	0	111.2	A115 I116 G117 H140 G172 R173	A115-S138 PolarHBondContact O-N 2.81Å; I116-S138 CarbonylContact C-O 3.41Å; I116-S138 VanDerWaalsContact CA-O 3.26Å; I116-S138 WeakPolarHBondContact CA-O 3.36Å; G117-S138 PolarHBondContact N-O 2.98Å; S138-H140 PolarHBondContact OG-N 2.56Å; S138-G172 PolarHBondContact OG-O 3.36Å; S138-R173 PolarHBondContact OG-O 3.2Å
139	L	89.5	Confident	87.7	Confident	5 Å²	5	49 Å²	49	3%	0.026	25%	0.246	C	C	.	.			trans	-80	-26	166.7	-66.8	172.9	0	0	0	111.3	G117 L120 K141 M148 L156 M168 I169	G117-L139 WeakPolarHBondContact CA-O 3.5Å; L120-L139 HydrophobicContact CD2-CD2 3.95Å; L120-L139 HydrophobicContact CD2-CG 4.26Å; L139-K141 WeakPolarHBondContact O-CB 2.92Å; L139-K141 WeakPolarHBondContact O-CG 2.99Å; L139-K141 PolarHBondContact O-N 2.73Å; L139-M148 HydrophobicContact CD1-CE 4.25Å; L139-M148 HydrophobicContact CD1-SD 3.61Å; L139-M148 HydrophobicContact CD2-CE 3.42Å; L139-M148 VanDerWaalsContact CD2-CE 3.42Å; L139-M148 HydrophobicContact CD2-CG 4.22Å; L139-M148 HydrophobicContact CD2-SD 3.7Å; L139-M148 HydrophobicContact CG-CE 4.49Å; L139-M148 HydrophobicContact CG-SD 4.27Å; L139-L156 HydrophobicContact CD1-CD2 3.8Å; L139-M168 HydrophobicContact CD1-CB 4.39Å; L139-I169 HydrophobicContact CD1-CB 4.29Å; L139-I169 HydrophobicContact CD1-CG1 3.38Å
140	H	76.5	Confident	87	Confident	38 Å²	38	49 Å²	49	18%	0.176	25%	0.247	C	C	.	.			trans	43	-29	-172.3	-79	121.7	0	0	0	117.6	I116 S138 R142 K143 E174	I116-H140 WeakPolarHBondContact CD1-CE1 3.49Å; I116-H140 VanDerWaalsContact CD1-ND1 3.3Å; I116-H140 WeakPolarHBondContact CD1-ND1 3.35Å; I116-H140 HydrophobicContact CG2-CB 3.7Å; I116-H140 WeakPolarHBondContact CG2-ND1 3.29Å; S138-H140 PolarHBondContact OG-N 2.56Å; H140-R142 PolarHBondContact O-N 3.19Å; H140-R142 VanDerWaalsContact O-N 3.08Å; H140-K143 WeakPolarHBondContact O-CB 3.35Å; H140-K143 PolarHBondContact O-N 2.94Å; H140-E174 IonicContact CD2-OE1 3.42Å; H140-E174 IonicContact CE1-OE1 3.6Å; H140-E174 PolarHBondContact CE1-OE1 3.25Å; H140-E174 IonicContact NE2-OE1 2.94Å; H140-E174 PolarHBondContact NE2-OE1 2.89Å
141	K	61.3	Low	86.3	Confident	18 Å²	18	50.2 Å²	50.2	8%	0.078	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63.6	-19.8	-166.4	-70.8	174	168.4	-173.7	0	113.5	E121 L139 K143 H144 C145 I146 P147	E121-K141 IonicContact OE2-NZ 2.78Å; E121-K141 PolarHBondContact OE2-NZ 2.76Å; L139-K141 WeakPolarHBondContact O-CB 2.92Å; L139-K141 WeakPolarHBondContact O-CG 2.99Å; L139-K141 PolarHBondContact O-N 2.73Å; K141-K143 VanDerWaalsContact C-N 3.26Å; K141-K143 PolarHBondContact O-N 3.03Å; K141-H144 CarbonylContact O-C 3.58Å; K141-H144 PolarHBondContact O-N 3.39Å; K141-H144 VanDerWaalsContact O-N 3.08Å; K141-C145 PolarHBondContact O-N 2.86Å; K141-I146 HydrophobicContact CB-CB 3.86Å; K141-I146 HydrophobicContact CB-CG2 4.44Å; K141-I146 WeakPolarHBondContact CB-O 3.3Å; K141-I146 HydrophobicContact CD-CB 4.17Å; K141-I146 HydrophobicContact CD-CG2 3.79Å; K141-I146 HydrophobicContact CG-CB 3.81Å; K141-I146 HydrophobicContact CG-CG2 3.93Å; K141-I146 PolarHBondContact O-N 3.27Å; K141-P147 WeakPolarHBondContact CD-O 3.35Å; K141-P147 PolarHBondContact NZ-O 3.01Å
142	R	67.5	Low	85.8	Confident	149 Å²	149	50.2 Å²	50.2	56%	0.562	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-59	-38	171.3	-174.7	68.3	-176.5	-131.4	3.6	111.9	H140 H144	H140-R142 PolarHBondContact O-N 3.19Å; H140-R142 VanDerWaalsContact O-N 3.08Å; R142-H144 PolarHBondContact O-N 3.46Å
143	K	73.6	Confident	85.3	Confident	137 Å²	137	54.1 Å²	54.1	60%	0.596	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-70.6	-18.5	178.3	-63.3	-179.7	-178.6	176.1	0	113.1	H140 K141	H140-K143 WeakPolarHBondContact O-CB 3.35Å; H140-K143 PolarHBondContact O-N 2.94Å; K141-K143 VanDerWaalsContact C-N 3.26Å; K141-K143 PolarHBondContact O-N 3.03Å
144	H	78.6	Confident	84.8	Confident	131 Å²	131	52.6 Å²	52.6	61%	0.606	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-120.2	10.3	-174.8	-59.2	-63.1	0	0	0	113.2	K141 R142 I146	K141-H144 CarbonylContact O-C 3.58Å; K141-H144 PolarHBondContact O-N 3.39Å; K141-H144 VanDerWaalsContact O-N 3.08Å; R142-H144 PolarHBondContact O-N 3.46Å; H144-I146 HydrophobicContact CB-CD1 4.22Å; H144-I146 HydrophobicContact CB-CG1 4.29Å; H144-I146 WeakPolarHBondContact O-CG1 3.45Å; H144-I146 PolarHBondContact O-N 3.41Å; H144-I146 VanDerWaalsContact O-N 3.17Å
145	C	79.2	Confident	84.4	Confident	121 Å²	121	49.5 Å²	49.5	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	25.8	-178.8	-58.8	0	0	0	0	115.1	K141	K141-C145 PolarHBondContact O-N 2.86Å
146	I	82	Confident	84.2	Confident	48 Å²	48	49.5 Å²	49.5	25%	0.246	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-92.5	131.8	178.8	-59	172.8	0	0	0	108.5	I69 K141 H144 M149	I69-I146 HydrophobicContact CD1-CD1 4.04Å; I69-I146 HydrophobicContact CD1-CG2 4.39Å; I69-I146 HydrophobicContact CG1-CD1 3.93Å; I69-I146 HydrophobicContact CG2-CD1 4.25Å; K141-I146 HydrophobicContact CB-CB 3.86Å; K141-I146 HydrophobicContact CB-CG2 4.44Å; K141-I146 WeakPolarHBondContact CB-O 3.3Å; K141-I146 HydrophobicContact CD-CB 4.17Å; K141-I146 HydrophobicContact CD-CG2 3.79Å; K141-I146 HydrophobicContact CG-CB 3.81Å; K141-I146 HydrophobicContact CG-CG2 3.93Å; K141-I146 PolarHBondContact O-N 3.27Å; H144-I146 HydrophobicContact CB-CD1 4.22Å; H144-I146 HydrophobicContact CB-CG1 4.29Å; H144-I146 WeakPolarHBondContact O-CG1 3.45Å; H144-I146 PolarHBondContact O-N 3.41Å; H144-I146 VanDerWaalsContact O-N 3.17Å; I146-M149 HydrophobicContact CG2-CE 3.95Å
147	P	83.9	Confident	83.9	Confident	81 Å²	81	49.8 Å²	49.8	53%	0.526	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-78.6	160.2	174.7	29.4	-32.5	0	0	0	111.8	K141 M149	K141-P147 WeakPolarHBondContact CD-O 3.35Å; K141-P147 PolarHBondContact NZ-O 3.01Å; P147-M149 HydrophobicContact CG-CE 4.49Å; P147-M149 HydrophobicContact CG-CG 4.08Å; P147-M149 HydrophobicContact CG-SD 4.18Å
148	M	85.3	Confident	83.6	Confident	31 Å²	31	55.1 Å²	55.1	15%	0.153	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-70.6	134.7	161.4	-66.4	-177.7	73	0	0	108.7	E121 L139 T153 I169	E121-M148 HydrophobicContact CG-CE 3.7Å; E121-M148 WeakPolarHBondContact OE1-CA 3.43Å; E121-M148 WeakPolarHBondContact OE1-CB 3.25Å; L139-M148 HydrophobicContact CD1-CE 4.25Å; L139-M148 HydrophobicContact CD1-SD 3.61Å; L139-M148 HydrophobicContact CD2-CE 3.42Å; L139-M148 VanDerWaalsContact CD2-CE 3.42Å; L139-M148 HydrophobicContact CD2-CG 4.22Å; L139-M148 HydrophobicContact CD2-SD 3.7Å; L139-M148 HydrophobicContact CG-CE 4.49Å; L139-M148 HydrophobicContact CG-SD 4.27Å; M148-T153 HydrophobicContact CB-CG2 3.97Å; M148-T153 HydrophobicContact CG-CG2 4.47Å; M148-T153 HydrophobicContact SD-CG2 3.95Å; M148-I169 HydrophobicContact SD-CD1 4.45Å; M148-I169 HydrophobicContact SD-CG1 4.24Å
149	M	82.4	Confident	83.6	Confident	74 Å²	74	58.1 Å²	58.1	37%	0.365	29%	0.293	S	S	.	.			trans	-133.1	-9.6	-170.4	-68.5	-179.3	-81.2	0	0	112.9	L67 E121 I146 P147	L67-M149 HydrophobicContact CD1-CE 3.95Å; E121-M149 PolarHBondContact OE1-N 2.87Å; I146-M149 HydrophobicContact CG2-CE 3.95Å; P147-M149 HydrophobicContact CG-CE 4.49Å; P147-M149 HydrophobicContact CG-CG 4.08Å; P147-M149 HydrophobicContact CG-SD 4.18Å
150	N	83.9	Confident	83.9	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.021	29%	0.294	C	S	.	.	S	Bend	trans	-114.7	46.5	-176.3	-64.8	-31	0	0	0	110.5	A118 E121 G152 R155	A118-N150 WeakPolarHBondContact CB-ND2 3.46Å; E121-N150 HydrophobicContact CB-CB 3.76Å; E121-N150 HydrophobicContact CG-CB 4.44Å; E121-N150 WeakPolarHBondContact OE1-CA 3.45Å; E121-N150 PolarHBondContact OE1-N 2.8Å; N150-G152 PolarHBondContact O-N 3.44Å; N150-R155 PolarHBondContact O-NH1 3.42Å; N150-R155 VanDerWaalsContact O-NH1 3.1Å
151	M	84.8	Confident	84.9	Confident	24 Å²	24	58.3 Å²	58.3	12%	0.118	30%	0.303	C	S	.	.	S	Bend	trans	62.1	12.3	178.8	-44.6	-167.9	67.3	0	0	116.7	L101 T153 V154 R155	L101-M151 HydrophobicContact CD2-CE 3.16Å; L101-M151 HydrophobicContact CD2-SD 3.67Å; M151-T153 PolarHBondContact O-N 2.88Å; M151-V154 HydrophobicContact CB-CB 4.4Å; M151-V154 HydrophobicContact CE-CB 4.45Å; M151-V154 HydrophobicContact CE-CG1 4.29Å; M151-V154 WeakPolarHBondContact O-CA 3.43Å; M151-V154 VanDerWaalsContact O-CB 3.29Å; M151-V154 WeakPolarHBondContact O-CB 3.5Å; M151-V154 PolarHBondContact O-N 3.33Å; M151-R155 PolarHBondContact O-N 3.47Å
152	G	88	Confident	86.6	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-70.1	-20.9	-176.9	0	0	0	0	0	113.6	E121 N150 V154 R155 L156	E121-G152 PolarHBondContact OE1-N 2.89Å; N150-G152 PolarHBondContact O-N 3.44Å; G152-V154 PolarHBondContact O-N 3.05Å; G152-R155 PolarHBondContact O-N 3.33Å; G152-L156 WeakPolarHBondContact O-CB 3.43Å; G152-L156 PolarHBondContact O-N 2.98Å
153	T	88.7	Confident	88	Confident	85 Å²	85	60.7 Å²	60.7	52%	0.521	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-17.1	167.9	48.2	0	0	0	0	113.1	M148 M151 P157	M148-T153 HydrophobicContact CB-CG2 3.97Å; M148-T153 HydrophobicContact CG-CG2 4.47Å; M148-T153 HydrophobicContact SD-CG2 3.95Å; M151-T153 PolarHBondContact O-N 2.88Å; T153-P157 WeakPolarHBondContact O-CD 3.49Å; T153-P157 WeakPolarHBondContact O-CG 3.33Å
154	V	87.5	Confident	89.2	Confident	48 Å²	48	59.1 Å²	59.1	29%	0.291	33%	0.325	S	S	.	.	H	α-helix	trans	-95.5	-48.3	176.7	177	0	0	0	0	110.1	M151 G152 R158	M151-V154 HydrophobicContact CB-CB 4.4Å; M151-V154 HydrophobicContact CE-CB 4.45Å; M151-V154 HydrophobicContact CE-CG1 4.29Å; M151-V154 WeakPolarHBondContact O-CA 3.43Å; M151-V154 VanDerWaalsContact O-CB 3.29Å; M151-V154 WeakPolarHBondContact O-CB 3.5Å; M151-V154 PolarHBondContact O-N 3.33Å; G152-V154 PolarHBondContact O-N 3.05Å; V154-R158 WeakPolarHBondContact O-CD 3.49Å; V154-R158 WeakPolarHBondContact O-CG 3.34Å
155	R	89.9	Confident	90	Very high	18 Å²	18	53 Å²	53	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-75.9	-44	-175.7	-62.6	-171.4	-179.2	108.2	0.1	113.3	L101 L124 N150 M151 G152 R158 L159	L101-R155 PolarHBondContact O-NH2 2.77Å; L101-R155 VanDerWaalsContact O-NH2 3.14Å; L124-R155 HydrophobicContact CB-CB 4.21Å; L124-R155 WeakPolarHBondContact O-CD 3.36Å; N150-R155 PolarHBondContact O-NH1 3.42Å; N150-R155 VanDerWaalsContact O-NH1 3.1Å; M151-R155 PolarHBondContact O-N 3.47Å; G152-R155 PolarHBondContact O-N 3.33Å; R155-R158 PolarHBondContact O-N 3.34Å; R155-L159 WeakPolarHBondContact O-CG 3.39Å; R155-L159 PolarHBondContact O-N 2.99Å; R155-L159 VanDerWaalsContact O-N 3.13Å
156	L	94	Very high	90.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.9	-55.2	-173.5	-173.6	64.5	0	0	0	113.2	L124 L139 G152 R158 L159 I160 A165 M168 I169 L185	L124-L156 HydrophobicContact CD1-CB 3.95Å; L124-L156 HydrophobicContact CD1-CD1 3.98Å; L139-L156 HydrophobicContact CD1-CD2 3.8Å; G152-L156 WeakPolarHBondContact O-CB 3.43Å; G152-L156 PolarHBondContact O-N 2.98Å; L156-R158 PolarHBondContact O-N 3.47Å; L156-R158 VanDerWaalsContact O-N 3.17Å; L156-L159 PolarHBondContact O-N 2.95Å; L156-I160 HydrophobicContact CD1-CD1 3.55Å; L156-I160 HydrophobicContact CD1-CG1 3.99Å; L156-I160 HydrophobicContact CG-CD1 3.93Å; L156-I160 HydrophobicContact CG-CG1 4.21Å; L156-I160 WeakPolarHBondContact O-CG1 3.37Å; L156-I160 PolarHBondContact O-N 3.32Å; L156-I160 VanDerWaalsContact O-N 3.08Å; L156-A165 HydrophobicContact CD2-CB 4.07Å; L156-A165 HydrophobicContact CG-CB 3.85Å; L156-M168 HydrophobicContact CD1-SD 4.33Å; L156-M168 HydrophobicContact CD2-SD 4.47Å; L156-I169 HydrophobicContact CD2-CD1 4.27Å; L156-I169 HydrophobicContact CD2-CG1 4.24Å; L156-L185 HydrophobicContact CD1-CD1 3.55Å
157	P	93.5	Very high	91.4	Very high	34 Å²	34	50.9 Å²	50.9	22%	0.221	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-22.1	-179.1	26.2	-35.6	0	0	0	113.7	T153 G161 A165	T153-P157 WeakPolarHBondContact O-CD 3.49Å; T153-P157 WeakPolarHBondContact O-CG 3.33Å; P157-G161 CarbonylContact O-C 3.5Å; P157-G161 WeakPolarHBondContact O-CA 3.43Å; P157-G161 PolarHBondContact O-N 3.29Å; P157-A165 HydrophobicContact CB-CB 3.86Å
158	R	91.3	Very high	91.9	Very high	111 Å²	111	47 Å²	47	42%	0.419	25%	0.253	S	S	.	.	H	α-helix	trans	-75.8	-31.2	174.4	-68.6	175.4	177.7	159.2	-2.2	112.6	V154 R155 L156 S226 H227	V154-R158 WeakPolarHBondContact O-CD 3.49Å; V154-R158 WeakPolarHBondContact O-CG 3.34Å; R155-R158 PolarHBondContact O-N 3.34Å; L156-R158 PolarHBondContact O-N 3.47Å; L156-R158 VanDerWaalsContact O-N 3.17Å; R158-S226 VanDerWaalsContact CD-O 3.25Å; R158-S226 WeakPolarHBondContact CD-O 3.47Å; R158-S226 PolarHBondContact NE-O 3.33Å; R158-H227 PolarHBondContact NH1-CD2 3.47Å; R158-H227 PolarHBondContact NH1-NE2 2.95Å; R158-H227 VanDerWaalsContact NH1-NE2 3.18Å
159	L	94	Very high	92.3	Very high	64 Å²	64	47.9 Å²	47.9	34%	0.335	26%	0.258	S	S	.	.	H	α-helix	trans	-79.4	-42.1	179.1	-69.4	169.3	0	0	0	112.3	L124 R155 L156 L185	L124-L159 HydrophobicContact CB-CD1 4.24Å; L124-L159 HydrophobicContact CD2-CD1 3.83Å; L124-L159 HydrophobicContact CG-CD1 4.47Å; R155-L159 WeakPolarHBondContact O-CG 3.39Å; R155-L159 PolarHBondContact O-N 2.99Å; R155-L159 VanDerWaalsContact O-N 3.13Å; L156-L159 PolarHBondContact O-N 2.95Å; L159-L185 HydrophobicContact CD1-CD1 4.49Å
160	I	96.8	Very high	92.8	Very high	11 Å²	11	48.8 Å²	48.8	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-121.4	6	-170.4	64.3	172.5	0	0	0	114.2	L156 R164 A165 M168 F183 L185	L156-I160 HydrophobicContact CD1-CD1 3.55Å; L156-I160 HydrophobicContact CD1-CG1 3.99Å; L156-I160 HydrophobicContact CG-CD1 3.93Å; L156-I160 HydrophobicContact CG-CG1 4.21Å; L156-I160 WeakPolarHBondContact O-CG1 3.37Å; L156-I160 PolarHBondContact O-N 3.32Å; L156-I160 VanDerWaalsContact O-N 3.08Å; I160-R164 HydrophobicContact CB-CB 4.17Å; I160-R164 HydrophobicContact CD1-CB 3.82Å; I160-R164 HydrophobicContact CG1-CB 4Å; I160-R164 WeakPolarHBondContact O-CB 3.48Å; I160-R164 WeakPolarHBondContact O-CD 3.39Å; I160-A165 HydrophobicContact CD1-CB 4.33Å; I160-A165 HydrophobicContact CG1-CB 4.2Å; I160-M168 HydrophobicContact CD1-SD 3.69Å; I160-F183 HydrophobicContact CD1-CD2 4.09Å; I160-F183 HydrophobicContact CG2-CB 4.15Å; I160-F183 WeakPolarHBondContact CG2-O 3.4Å; I160-L185 HydrophobicContact CG2-CB 3.77Å; I160-L185 HydrophobicContact CG2-CD1 3.72Å; I160-L185 HydrophobicContact CG2-CG 4.34Å
161	G	96.3	Very high	93.1	Very high	35 Å²	35	52.1 Å²	52.1	36%	0.361	28%	0.284	S	S	.	.	H	α-helix	trans	77.1	159.6	-174.2	0	0	0	0	0	113.1	P157 S163 A165	P157-G161 CarbonylContact O-C 3.5Å; P157-G161 WeakPolarHBondContact O-CA 3.43Å; P157-G161 PolarHBondContact O-N 3.29Å; G161-S163 PolarHBondContact O-N 3.47Å; G161-A165 WeakPolarHBondContact O-CB 3.31Å; G161-A165 PolarHBondContact O-N 2.95Å; G161-A165 VanDerWaalsContact O-N 3.13Å
162	L	96.5	Very high	93.4	Very high	118 Å²	118	51 Å²	51	62%	0.618	28%	0.278	S	S	*	.	H	α-helix	trans	-61.3	-43	-173.7	-179.6	61.2	0	0	0	112.9	A165 L166	L162-A165 PolarHBondContact O-N 3.48Å; L162-L166 HydrophobicContact CD1-CD1 3.92Å; L162-L166 HydrophobicContact CD1-CG 3.93Å; L162-L166 HydrophobicContact CG-CD1 3.9Å; L162-L166 HydrophobicContact CG-CG 4.31Å; L162-L166 WeakPolarHBondContact O-CB 3.2Å; L162-L166 WeakPolarHBondContact O-CG 3.32Å; L162-L166 PolarHBondContact O-N 2.99Å
163	S	98.1	Very high	93.7	Very high	100 Å²	100	53.7 Å²	53.7	70%	0.699	29%	0.289	S	S	*	.	H	α-helix	trans	-63.5	-49.7	-175.3	175.9	0	0	0	0	112.3	G161 A165 L166 D167	G161-S163 PolarHBondContact O-N 3.47Å; S163-A165 PolarHBondContact O-N 2.88Å; S163-L166 PolarHBondContact O-N 3Å; S163-D167 PolarHBondContact O-N 3.14Å
164	R	97.6	Very high	94	Very high	104 Å²	104	53.1 Å²	53.1	39%	0.392	28%	0.28	S	S	.	.	H	α-helix	trans	-66.8	-37.3	178.3	-66.7	176.9	174.1	168	-7.2	112	I160 D167 M168 E182 F183	I160-R164 HydrophobicContact CB-CB 4.17Å; I160-R164 HydrophobicContact CD1-CB 3.82Å; I160-R164 HydrophobicContact CG1-CB 4Å; I160-R164 WeakPolarHBondContact O-CB 3.48Å; I160-R164 WeakPolarHBondContact O-CD 3.39Å; R164-D167 PolarHBondContact O-N 3.49Å; R164-M168 PolarHBondContact O-N 3.49Å; R164-M168 VanDerWaalsContact O-N 3.14Å; R164-E182 PolarHBondContact NH1-O 3.39Å; R164-F183 HydrophobicContact CB-CD2 3.79Å; R164-F183 HydrophobicContact CB-CE2 3.6Å; R164-F183 HydrophobicContact CB-CZ 4.31Å; R164-F183 HydrophobicContact CG-CD2 4.02Å; R164-F183 HydrophobicContact CG-CE1 4.5Å; R164-F183 HydrophobicContact CG-CE2 3.75Å; R164-F183 HydrophobicContact CG-CG 4.48Å; R164-F183 HydrophobicContact CG-CZ 3.97Å; R164-F183 PolarHBondContact NH1-O 2.67Å
165	A	96.2	Very high	94.5	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-44.9	173.9	0	0	0	0	0	111.8	L156 P157 I160 G161 L162 S163 M168 I169	L156-A165 HydrophobicContact CD2-CB 4.07Å; L156-A165 HydrophobicContact CG-CB 3.85Å; P157-A165 HydrophobicContact CB-CB 3.86Å; I160-A165 HydrophobicContact CD1-CB 4.33Å; I160-A165 HydrophobicContact CG1-CB 4.2Å; G161-A165 WeakPolarHBondContact O-CB 3.31Å; G161-A165 PolarHBondContact O-N 2.95Å; G161-A165 VanDerWaalsContact O-N 3.13Å; L162-A165 PolarHBondContact O-N 3.48Å; S163-A165 PolarHBondContact O-N 2.88Å; A165-M168 PolarHBondContact O-N 3.03Å; A165-I169 HydrophobicContact CB-CD1 4.49Å; A165-I169 WeakPolarHBondContact O-CB 3.05Å; A165-I169 WeakPolarHBondContact O-CD1 3.33Å; A165-I169 WeakPolarHBondContact O-CG1 3.5Å; A165-I169 PolarHBondContact O-N 3.11Å
166	L	95.8	Very high	94.9	Very high	72 Å²	72	54.7 Å²	54.7	38%	0.377	29%	0.285	S	S	.	.	H	α-helix	trans	-64.2	-38.9	176.2	-75.8	176.5	0	0	0	112.2	L162 S163 M168 I169 L170	L162-L166 HydrophobicContact CD1-CD1 3.92Å; L162-L166 HydrophobicContact CD1-CG 3.93Å; L162-L166 HydrophobicContact CG-CD1 3.9Å; L162-L166 HydrophobicContact CG-CG 4.31Å; L162-L166 WeakPolarHBondContact O-CB 3.2Å; L162-L166 WeakPolarHBondContact O-CG 3.32Å; L162-L166 PolarHBondContact O-N 2.99Å; S163-L166 PolarHBondContact O-N 3Å; L166-M168 PolarHBondContact O-N 3.06Å; L166-I169 PolarHBondContact O-N 2.92Å; L166-L170 HydrophobicContact CB-CD1 4.14Å; L166-L170 HydrophobicContact CB-CG 4.47Å; L166-L170 HydrophobicContact CD2-CD1 4.33Å; L166-L170 HydrophobicContact CD2-CG 4.38Å; L166-L170 WeakPolarHBondContact O-CB 3.26Å; L166-L170 WeakPolarHBondContact O-CG 3.5Å; L166-L170 PolarHBondContact O-N 3.05Å
167	D	95.3	Very high	95.1	Very high	53 Å²	53	54.7 Å²	54.7	28%	0.283	29%	0.285	S	S	.	.	H	α-helix	trans	-54.7	-54	172.9	172.9	23.1	0	0	0	110.8	S163 R164 I169 T171 R173	S163-D167 PolarHBondContact O-N 3.14Å; R164-D167 PolarHBondContact O-N 3.49Å; D167-I169 PolarHBondContact O-N 2.99Å; D167-T171 WeakPolarHBondContact O-CB 3.4Å; D167-T171 WeakPolarHBondContact O-CG2 3.34Å; D167-T171 PolarHBondContact O-N 2.88Å; D167-T171 PolarHBondContact O-OG1 2.88Å; D167-R173 IonicContact OD1-NE 2.67Å; D167-R173 PolarHBondContact OD1-NE 3.21Å; D167-R173 VanDerWaalsContact OD1-NE 3.15Å; D167-R173 IonicContact OD2-CZ 2.78Å; D167-R173 IonicContact OD2-NE 2.99Å; D167-R173 PolarHBondContact OD2-NE 3.41Å; D167-R173 IonicContact OD2-NH2 3.05Å; D167-R173 PolarHBondContact OD2-NH2 3.37Å
168	M	95	Very high	95.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-42.9	177	-65.3	-179.5	73.8	0	0	113.3	L120 L139 L156 I160 R164 A165 L166 G172 L175 L185	L120-M168 HydrophobicContact CD2-CE 4.07Å; L139-M168 HydrophobicContact CD1-CB 4.39Å; L156-M168 HydrophobicContact CD1-SD 4.33Å; L156-M168 HydrophobicContact CD2-SD 4.47Å; I160-M168 HydrophobicContact CD1-SD 3.69Å; R164-M168 PolarHBondContact O-N 3.49Å; R164-M168 VanDerWaalsContact O-N 3.14Å; A165-M168 PolarHBondContact O-N 3.03Å; L166-M168 PolarHBondContact O-N 3.06Å; M168-G172 WeakPolarHBondContact O-CA 3.26Å; M168-G172 PolarHBondContact O-N 2.78Å; M168-L175 HydrophobicContact CE-CB 4.16Å; M168-L175 HydrophobicContact CE-CD2 4.08Å; M168-L175 HydrophobicContact SD-CD2 4Å; M168-L185 HydrophobicContact CE-CD2 4.07Å; M168-L185 HydrophobicContact SD-CD2 4.27Å
169	I	92.6	Very high	95.7	Very high	48 Å²	48	54.6 Å²	54.6	25%	0.246	29%	0.289	C	S	.	.	H	α-helix	trans	-71.4	-44.3	-176.2	-69.6	163.9	0	0	0	111.8	L139 M148 L156 A165 L166 D167	L139-I169 HydrophobicContact CD1-CB 4.29Å; L139-I169 HydrophobicContact CD1-CG1 3.38Å; M148-I169 HydrophobicContact SD-CD1 4.45Å; M148-I169 HydrophobicContact SD-CG1 4.24Å; L156-I169 HydrophobicContact CD2-CD1 4.27Å; L156-I169 HydrophobicContact CD2-CG1 4.24Å; A165-I169 HydrophobicContact CB-CD1 4.49Å; A165-I169 WeakPolarHBondContact O-CB 3.05Å; A165-I169 WeakPolarHBondContact O-CD1 3.33Å; A165-I169 WeakPolarHBondContact O-CG1 3.5Å; A165-I169 PolarHBondContact O-N 3.11Å; L166-I169 PolarHBondContact O-N 2.92Å; D167-I169 PolarHBondContact O-N 2.99Å
170	L	92.3	Very high	95.9	Very high	94 Å²	94	51.6 Å²	51.6	49%	0.492	27%	0.273	S	S	.	.	H	α-helix	trans	-79	-37.5	-173.9	-63.7	177.8	0	0	0	111.8	L166	L166-L170 HydrophobicContact CB-CD1 4.14Å; L166-L170 HydrophobicContact CB-CG 4.47Å; L166-L170 HydrophobicContact CD2-CD1 4.33Å; L166-L170 HydrophobicContact CD2-CG 4.38Å; L166-L170 WeakPolarHBondContact O-CB 3.26Å; L166-L170 WeakPolarHBondContact O-CG 3.5Å; L166-L170 PolarHBondContact O-N 3.05Å
171	T	92.1	Very high	96	Very high	73 Å²	73	54.6 Å²	54.6	45%	0.448	29%	0.289	S	S	.	.	H	α-helix	trans	-88.9	-25.6	179.5	70.8	0	0	0	0	112.7	D167 R173	D167-T171 WeakPolarHBondContact O-CB 3.4Å; D167-T171 WeakPolarHBondContact O-CG2 3.34Å; D167-T171 PolarHBondContact O-N 2.88Å; D167-T171 PolarHBondContact O-OG1 2.88Å; T171-R173 PolarHBondContact O-N 3.47Å; T171-R173 VanDerWaalsContact OG1-CB 3.32Å; T171-R173 WeakPolarHBondContact OG1-CB 3.48Å; T171-R173 VanDerWaalsContact OG1-CG 3.29Å; T171-R173 WeakPolarHBondContact OG1-CG 3.43Å; T171-R173 PolarHBondContact OG1-N 3.13Å; T171-R173 VanDerWaalsContact OG1-N 3.13Å
172	G	90.9	Very high	96.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.304	C	S	.	.			trans	61.4	22.7	-170.5	0	0	0	0	0	112.9	S138 M168	S138-G172 PolarHBondContact OG-O 3.36Å; M168-G172 WeakPolarHBondContact O-CA 3.26Å; M168-G172 PolarHBondContact O-N 2.78Å
173	R	94	Very high	96.1	Very high	57 Å²	57	55.1 Å²	55.1	22%	0.215	28%	0.279	C	S	.	.			trans	-67.5	163.7	-178.8	74.8	-179	-175.1	88.2	-11.5	112.1	S138 D167 T171 E179	S138-R173 PolarHBondContact OG-O 3.2Å; D167-R173 IonicContact OD1-NE 2.67Å; D167-R173 PolarHBondContact OD1-NE 3.21Å; D167-R173 VanDerWaalsContact OD1-NE 3.15Å; D167-R173 IonicContact OD2-CZ 2.78Å; D167-R173 IonicContact OD2-NE 2.99Å; D167-R173 PolarHBondContact OD2-NE 3.41Å; D167-R173 IonicContact OD2-NH2 3.05Å; D167-R173 PolarHBondContact OD2-NH2 3.37Å; T171-R173 PolarHBondContact O-N 3.47Å; T171-R173 VanDerWaalsContact OG1-CB 3.32Å; T171-R173 WeakPolarHBondContact OG1-CB 3.48Å; T171-R173 VanDerWaalsContact OG1-CG 3.29Å; T171-R173 WeakPolarHBondContact OG1-CG 3.43Å; T171-R173 PolarHBondContact OG1-N 3.13Å; T171-R173 VanDerWaalsContact OG1-N 3.13Å; R173-E179 IonicContact CZ-OE1 3.35Å; R173-E179 VanDerWaalsContact NH1-CD 3.3Å; R173-E179 IonicContact NH1-OE1 2.98Å; R173-E179 PolarHBondContact NH1-OE1 3.48Å; R173-E179 IonicContact NH1-OE2 3.25Å; R173-E179 PolarHBondContact NH1-OE2 3.39Å; R173-E179 IonicContact NH2-OE1 2.99Å; R173-E179 PolarHBondContact NH2-OE1 3.44Å
174	E	95.5	Very high	96.1	Very high	74 Å²	74	52 Å²	52	35%	0.346	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	146.9	173.3	-71.4	175.7	-178	0	0	110	I136 H140	I136-E174 HydrophobicContact CG2-CB 3.77Å; I136-E174 HydrophobicContact CG2-CG 3.69Å; H140-E174 IonicContact CD2-OE1 3.42Å; H140-E174 IonicContact CE1-OE1 3.6Å; H140-E174 PolarHBondContact CE1-OE1 3.25Å; H140-E174 IonicContact NE2-OE1 2.94Å; H140-E174 PolarHBondContact NE2-OE1 2.89Å
175	L	97.1	Very high	96.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112.9	175.3	-162.4	74.8	0	0	0	107.6	L137 M168 E179 A180 F183 L185	L137-L175 HydrophobicContact CB-CB 4.45Å; L137-L175 PolarHBondContact N-O 2.92Å; L137-L175 WeakPolarHBondContact O-CB 3.32Å; L137-L175 PolarHBondContact O-N 3.49Å; M168-L175 HydrophobicContact CE-CB 4.16Å; M168-L175 HydrophobicContact CE-CD2 4.08Å; M168-L175 HydrophobicContact SD-CD2 4Å; L175-E179 HydrophobicContact CD1-CB 3.89Å; L175-E179 HydrophobicContact CD1-CG 3.6Å; L175-E179 WeakPolarHBondContact CD1-OE1 3.42Å; L175-E179 WeakPolarHBondContact CD1-OE2 3.45Å; L175-E179 HydrophobicContact CG-CB 4.29Å; L175-A180 VanDerWaalsContact CD2-CA 3.5Å; L175-A180 HydrophobicContact CD2-CB 3.63Å; L175-A180 HydrophobicContact CG-CB 3.93Å; L175-F183 HydrophobicContact CD1-CD1 4.41Å; L175-F183 HydrophobicContact CD1-CD2 3.95Å; L175-F183 HydrophobicContact CD1-CE1 4.36Å; L175-F183 HydrophobicContact CD1-CE2 3.88Å; L175-F183 HydrophobicContact CD1-CG 4.26Å; L175-F183 HydrophobicContact CD1-CZ 4.13Å; L175-F183 HydrophobicContact CD2-CB 4.37Å; L175-F183 HydrophobicContact CD2-CD2 3.89Å; L175-F183 HydrophobicContact CD2-CG 4.19Å; L175-L185 HydrophobicContact CD2-CB 4.42Å; L175-L185 HydrophobicContact CD2-CD2 3.7Å
176	H	98.2	Very high	96.3	Very high	98 Å²	98	47.1 Å²	47.1	45%	0.454	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	156.1	176.2	-67.5	-82.8	0	0	0	110.6	N178 E179 A180	H176-N178 VanDerWaalsContact C-N 3.3Å; H176-N178 PolarHBondContact O-N 3.23Å; H176-N178 VanDerWaalsContact O-N 3.11Å; H176-E179 PolarHBondContact O-N 3.1Å; H176-A180 WeakPolarHBondContact O-CB 3.36Å; H176-A180 PolarHBondContact O-N 3.02Å
177	A	98.7	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-50.7	-40.8	-171.1	0	0	0	0	0	115.5	A131 E132 S135 A180 L181 V189	A131-A177 HydrophobicContact CB-CB 4.18Å; E132-A177 WeakPolarHBondContact O-CB 3.38Å; S135-A177 PolarHBondContact O-N 2.91Å; A177-A180 WeakPolarHBondContact O-CB 3.46Å; A177-A180 PolarHBondContact O-N 3.46Å; A177-L181 PolarHBondContact O-N 2.84Å; A177-V189 HydrophobicContact CB-CG1 4.15Å; A177-V189 HydrophobicContact CB-CG2 4.17Å
178	N	98.5	Very high	96.5	Very high	87 Å²	87	50 Å²	50	47%	0.465	25%	0.249	S	C	.	.	H	α-helix	trans	-68	-43.7	177.7	-71.1	-27.2	0	0	0	112.5	I133 H176 A180 L181 E182	I133-N178 WeakPolarHBondContact CD1-ND2 3.49Å; I133-N178 WeakPolarHBondContact CD1-OD1 3.41Å; H176-N178 VanDerWaalsContact C-N 3.3Å; H176-N178 PolarHBondContact O-N 3.23Å; H176-N178 VanDerWaalsContact O-N 3.11Å; N178-A180 VanDerWaalsContact C-N 3.29Å; N178-A180 PolarHBondContact O-N 2.91Å; N178-L181 WeakPolarHBondContact O-CB 3.33Å; N178-L181 PolarHBondContact O-N 3.26Å; N178-E182 PolarHBondContact O-N 3.48Å
179	E	98.3	Very high	96.7	Very high	57 Å²	57	52 Å²	52	27%	0.266	26%	0.261	S	S	.	.	H	α-helix	trans	-66.3	-36.9	175	-161	-169.2	165.7	0	0	110.5	R173 L175 H176 L181 E182 F183	R173-E179 IonicContact CZ-OE1 3.35Å; R173-E179 VanDerWaalsContact NH1-CD 3.3Å; R173-E179 IonicContact NH1-OE1 2.98Å; R173-E179 PolarHBondContact NH1-OE1 3.48Å; R173-E179 IonicContact NH1-OE2 3.25Å; R173-E179 PolarHBondContact NH1-OE2 3.39Å; R173-E179 IonicContact NH2-OE1 2.99Å; R173-E179 PolarHBondContact NH2-OE1 3.44Å; L175-E179 HydrophobicContact CD1-CB 3.89Å; L175-E179 HydrophobicContact CD1-CG 3.6Å; L175-E179 WeakPolarHBondContact CD1-OE1 3.42Å; L175-E179 WeakPolarHBondContact CD1-OE2 3.45Å; L175-E179 HydrophobicContact CG-CB 4.29Å; H176-E179 PolarHBondContact O-N 3.1Å; E179-L181 VanDerWaalsContact C-N 3.27Å; E179-L181 PolarHBondContact O-N 3.18Å; E179-E182 PolarHBondContact O-N 3.41Å; E179-F183 HydrophobicContact CG-CD1 4.11Å; E179-F183 HydrophobicContact CG-CE1 3.89Å; E179-F183 WeakPolarHBondContact O-CB 3.29Å; E179-F183 WeakPolarHBondContact O-CD1 3.19Å; E179-F183 PolarHBondContact O-N 3.38Å
180	A	98.5	Very high	97	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-34.4	173.8	0	0	0	0	0	112.5	L137 L175 H176 A177 N178 G184 L185 V186	L137-A180 HydrophobicContact CD1-CB 4.27Å; L137-A180 HydrophobicContact CD2-CB 4.41Å; L175-A180 VanDerWaalsContact CD2-CA 3.5Å; L175-A180 HydrophobicContact CD2-CB 3.63Å; L175-A180 HydrophobicContact CG-CB 3.93Å; H176-A180 WeakPolarHBondContact O-CB 3.36Å; H176-A180 PolarHBondContact O-N 3.02Å; A177-A180 WeakPolarHBondContact O-CB 3.46Å; A177-A180 PolarHBondContact O-N 3.46Å; N178-A180 VanDerWaalsContact C-N 3.29Å; N178-A180 PolarHBondContact O-N 2.91Å; A180-G184 PolarHBondContact O-N 2.95Å; A180-L185 HydrophobicContact CB-CB 4.35Å; A180-L185 WeakPolarHBondContact O-CA 3.38Å; A180-L185 WeakPolarHBondContact O-CB 3.39Å; A180-L185 PolarHBondContact O-N 3.24Å; A180-V186 HydrophobicContact CB-CB 4.09Å; A180-V186 HydrophobicContact CB-CG2 3.68Å; A180-V186 PolarHBondContact O-N 2.95Å
181	L	98.6	Very high	97.3	Very high	75 Å²	75	49.6 Å²	49.6	39%	0.393	25%	0.254	S	S	.	.	H	α-helix	trans	-66.9	-46.9	171.7	179.5	66.3	0	0	0	111.3	A177 N178 E179 F183 G184 V186 V189	A177-L181 PolarHBondContact O-N 2.84Å; N178-L181 WeakPolarHBondContact O-CB 3.33Å; N178-L181 PolarHBondContact O-N 3.26Å; E179-L181 VanDerWaalsContact C-N 3.27Å; E179-L181 PolarHBondContact O-N 3.18Å; L181-F183 PolarHBondContact O-N 3.45Å; L181-G184 PolarHBondContact O-N 3Å; L181-V186 WeakPolarHBondContact CD1-O 3.15Å; L181-V189 HydrophobicContact CB-CG2 3.99Å; L181-V189 HydrophobicContact CD2-CG2 4Å; L181-V189 HydrophobicContact CG-CG2 4.5Å
182	E	98.2	Very high	97.6	Very high	144 Å²	144	49.7 Å²	49.7	67%	0.673	26%	0.255	S	S	*	.	H	α-helix	trans	-61.2	-31	175.8	-69.1	178.4	-175.6	0	0	112.7	R164 N178 E179 G184	R164-E182 PolarHBondContact NH1-O 3.39Å; N178-E182 PolarHBondContact O-N 3.48Å; E179-E182 PolarHBondContact O-N 3.41Å; E182-G184 PolarHBondContact O-N 3.49Å
183	F	97.9	Very high	97.9	Very high	20 Å²	20	52.8 Å²	52.8	9%	0.088	29%	0.287	C	S	.	.	H	α-helix	trans	-71.4	-22.6	176.7	-85.9	37.1	0	0	0	112.3	I160 R164 L175 E179 L181 L185	I160-F183 HydrophobicContact CD1-CD2 4.09Å; I160-F183 HydrophobicContact CG2-CB 4.15Å; I160-F183 WeakPolarHBondContact CG2-O 3.4Å; R164-F183 HydrophobicContact CB-CD2 3.79Å; R164-F183 HydrophobicContact CB-CE2 3.6Å; R164-F183 HydrophobicContact CB-CZ 4.31Å; R164-F183 HydrophobicContact CG-CD2 4.02Å; R164-F183 HydrophobicContact CG-CE1 4.5Å; R164-F183 HydrophobicContact CG-CE2 3.75Å; R164-F183 HydrophobicContact CG-CG 4.48Å; R164-F183 HydrophobicContact CG-CZ 3.97Å; R164-F183 PolarHBondContact NH1-O 2.67Å; L175-F183 HydrophobicContact CD1-CD1 4.41Å; L175-F183 HydrophobicContact CD1-CD2 3.95Å; L175-F183 HydrophobicContact CD1-CE1 4.36Å; L175-F183 HydrophobicContact CD1-CE2 3.88Å; L175-F183 HydrophobicContact CD1-CG 4.26Å; L175-F183 HydrophobicContact CD1-CZ 4.13Å; L175-F183 HydrophobicContact CD2-CB 4.37Å; L175-F183 HydrophobicContact CD2-CD2 3.89Å; L175-F183 HydrophobicContact CD2-CG 4.19Å; E179-F183 HydrophobicContact CG-CD1 4.11Å; E179-F183 HydrophobicContact CG-CE1 3.89Å; E179-F183 WeakPolarHBondContact O-CB 3.29Å; E179-F183 WeakPolarHBondContact O-CD1 3.19Å; E179-F183 PolarHBondContact O-N 3.38Å; L181-F183 PolarHBondContact O-N 3.45Å; F183-L185 VanDerWaalsContact C-N 3.26Å; F183-L185 HydrophobicContact CB-CB 4.33Å
184	G	97.4	Very high	98.1	Very high	35 Å²	35	52.6 Å²	52.6	36%	0.361	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	7	-165.9	0	0	0	0	0	113.2	A180 L181 E182	A180-G184 PolarHBondContact O-N 2.95Å; L181-G184 PolarHBondContact O-N 3Å; E182-G184 PolarHBondContact O-N 3.49Å
185	L	98.1	Very high	98.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-73	-37.3	177.3	-162.7	64.4	0	0	0	110.8	L124 R129 L137 L156 L159 I160 M168 L175 A180 F183	L124-L185 HydrophobicContact CD2-CD1 3.49Å; L124-L185 VanDerWaalsContact CD2-CD1 3.49Å; L124-L185 HydrophobicContact CD2-CG 4.27Å; R129-L185 VanDerWaalsContact CD-O 3.28Å; R129-L185 WeakPolarHBondContact CD-O 3.43Å; R129-L185 PolarHBondContact NE-O 2.75Å; L137-L185 HydrophobicContact CD2-CD2 3.87Å; L137-L185 HydrophobicContact CD2-CG 4.34Å; L156-L185 HydrophobicContact CD1-CD1 3.55Å; L159-L185 HydrophobicContact CD1-CD1 4.49Å; I160-L185 HydrophobicContact CG2-CB 3.77Å; I160-L185 HydrophobicContact CG2-CD1 3.72Å; I160-L185 HydrophobicContact CG2-CG 4.34Å; M168-L185 HydrophobicContact CE-CD2 4.07Å; M168-L185 HydrophobicContact SD-CD2 4.27Å; L175-L185 HydrophobicContact CD2-CB 4.42Å; L175-L185 HydrophobicContact CD2-CD2 3.7Å; A180-L185 HydrophobicContact CB-CB 4.35Å; A180-L185 WeakPolarHBondContact O-CA 3.38Å; A180-L185 WeakPolarHBondContact O-CB 3.39Å; A180-L185 PolarHBondContact O-N 3.24Å; F183-L185 VanDerWaalsContact C-N 3.26Å; F183-L185 HydrophobicContact CB-CB 4.33Å
186	V	98.6	Very high	98.3	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	29%	0.289	C	S	.	.			trans	-109.8	142.9	174.8	167.4	0	0	0	0	108.8	R129 A131 L137 A180 L181 R188 V189	R129-V186 HydrophobicContact CB-CG2 4.35Å; A131-V186 HydrophobicContact CB-CB 4.48Å; A131-V186 HydrophobicContact CB-CG1 3.86Å; A131-V186 HydrophobicContact CB-CG2 3.76Å; L137-V186 HydrophobicContact CD1-CG2 4.43Å; L137-V186 HydrophobicContact CD2-CG2 3.84Å; A180-V186 HydrophobicContact CB-CB 4.09Å; A180-V186 HydrophobicContact CB-CG2 3.68Å; A180-V186 PolarHBondContact O-N 2.95Å; L181-V186 WeakPolarHBondContact CD1-O 3.15Å; V186-R188 WeakPolarHBondContact CG1-O 3.42Å; V186-V189 HydrophobicContact CG1-CG2 4.42Å
187	N	98.3	Very high	98.3	Very high	43 Å²	43	48.8 Å²	48.8	23%	0.23	29%	0.287	C	S	.	.	S	Bend	trans	-94.3	-30	-179	-58.1	92.6	0	0	0	112.2	L128 R129	L128-N187 VanDerWaalsContact CA-OD1 3.3Å; L128-N187 WeakPolarHBondContact CA-OD1 3.48Å; L128-N187 HydrophobicContact CD2-CB 4.47Å; R129-N187 PolarHBondContact N-OD1 3.44Å; R129-N187 PolarHBondContact O-N 2.99Å
188	R	98.4	Very high	98.3	Very high	142 Å²	142	50.9 Å²	50.9	54%	0.536	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.1	177.1	-61.3	-67.1	-178.4	-93.5	1.8	110.5	R129 V130 A131 V186 M202	R129-R188 PolarHBondContact O-N 2.85Å; V130-R188 WeakPolarHBondContact CA-O 3.26Å; V130-R188 HydrophobicContact CG1-CB 4.32Å; V130-R188 HydrophobicContact CG2-CB 4.22Å; A131-R188 PolarHBondContact N-O 3.48Å; V186-R188 WeakPolarHBondContact CG1-O 3.42Å; R188-M202 HydrophobicContact CG-SD 4.44Å
189	V	98.7	Very high	98.3	Very high	43 Å²	43	46.8 Å²	46.8	26%	0.261	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.7	169.1	-178.7	0	0	0	0	108.6	A131 I133 A177 L181 V186	A131-V189 CarbonylContact O-C 3.57Å; A131-V189 VanDerWaalsContact O-CA 3.27Å; A131-V189 WeakPolarHBondContact O-CA 3.33Å; I133-V189 HydrophobicContact CB-CG1 4.05Å; I133-V189 HydrophobicContact CD1-CG1 3.58Å; I133-V189 HydrophobicContact CG1-CG1 4.42Å; A177-V189 HydrophobicContact CB-CG1 4.15Å; A177-V189 HydrophobicContact CB-CG2 4.17Å; L181-V189 HydrophobicContact CB-CG2 3.99Å; L181-V189 HydrophobicContact CD2-CG2 4Å; L181-V189 HydrophobicContact CG-CG2 4.5Å; V186-V189 HydrophobicContact CG1-CG2 4.42Å
190	A	98.6	Very high	98.3	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	153.6	-178	0	0	0	0	0	110.8	V130 A131 E132 I133 V198	V130-A190 HydrophobicContact CG1-CB 3.88Å; A131-A190 PolarHBondContact O-N 2.99Å; E132-A190 CarbonylContact C-O 3.47Å; E132-A190 VanDerWaalsContact CA-O 3.31Å; E132-A190 WeakPolarHBondContact CA-O 3.22Å; I133-A190 PolarHBondContact N-O 3.23Å; A190-V198 HydrophobicContact CB-CB 4.28Å; A190-V198 HydrophobicContact CB-CG2 3.88Å
191	P	98.5	Very high	98.2	Very high	88 Å²	88	52.6 Å²	52.6	57%	0.571	30%	0.304	S	S	*	.			trans	-55.6	147.4	164.1	-24	33.5	0	0	0	111.8	G193 T194	P191-G193 PolarHBondContact O-N 3.48Å; P191-T194 HydrophobicContact CB-CG2 4.18Å; P191-T194 WeakPolarHBondContact CD-OG1 3.28Å; P191-T194 WeakPolarHBondContact O-CB 3.17Å; P191-T194 PolarHBondContact O-N 2.93Å; P191-T194 VanDerWaalsContact O-N 3.11Å; P191-T194 PolarHBondContact O-OG1 3.29Å
192	T	98.3	Very high	98.1	Very high	75 Å²	75	50.9 Å²	50.9	46%	0.46	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	137.3	176.4	-53	0	0	0	0	111.6	E132 I133 D134 T194	E132-T192 WeakPolarHBondContact OE2-CA 3.19Å; I133-T192 WeakPolarHBondContact CG2-OG1 3.48Å; D134-T192 VanDerWaalsContact CG-OG1 3.24Å; D134-T192 WeakPolarHBondContact OD1-CG2 3.28Å; D134-T192 PolarHBondContact OD1-OG1 3.07Å; T192-T194 VanDerWaalsContact C-N 3.32Å
193	G	97.6	Very high	97.9	Very high	66 Å²	66	44 Å²	44	68%	0.68	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	8	-175	0	0	0	0	0	115.7	E132 P191	E132-G193 VanDerWaalsContact OE1-CA 3.25Å; E132-G193 WeakPolarHBondContact OE1-CA 3.45Å; E132-G193 PolarHBondContact OE1-N 2.94Å; E132-G193 PolarHBondContact OE2-N 3.2Å; P191-G193 PolarHBondContact O-N 3.48Å
194	T	98.3	Very high	97.7	Very high	53 Å²	53	46.6 Å²	46.6	33%	0.325	28%	0.277	S	S	.	.			trans	-122.2	0	-173.9	74.8	0	0	0	0	115.4	E132 P191 T192 I196 G197 V198	E132-T194 PolarHBondContact OE1-N 2.9Å; P191-T194 HydrophobicContact CB-CG2 4.18Å; P191-T194 WeakPolarHBondContact CD-OG1 3.28Å; P191-T194 WeakPolarHBondContact O-CB 3.17Å; P191-T194 PolarHBondContact O-N 2.93Å; P191-T194 VanDerWaalsContact O-N 3.11Å; P191-T194 PolarHBondContact O-OG1 3.29Å; T192-T194 VanDerWaalsContact C-N 3.32Å; T194-I196 VanDerWaalsContact C-N 3.3Å; T194-I196 PolarHBondContact O-N 2.97Å; T194-G197 PolarHBondContact O-N 3.24Å; T194-G197 VanDerWaalsContact O-N 3.11Å; T194-V198 WeakPolarHBondContact O-CG2 3.25Å; T194-V198 PolarHBondContact O-N 3.42Å
195	A	98.7	Very high	97.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-37.2	-174.4	0	0	0	0	0	113.9	A110 V130 E132 S199	A110-A195 HydrophobicContact CB-CB 4.03Å; V130-A195 HydrophobicContact CG1-CB 4.3Å; E132-A195 HydrophobicContact CG-CB 3.59Å; E132-A195 PolarHBondContact OE1-N 3.34Å; A195-S199 WeakPolarHBondContact O-CB 3.37Å; A195-S199 PolarHBondContact O-N 2.97Å; A195-S199 PolarHBondContact O-OG 2.97Å
196	I	98.5	Very high	97.3	Very high	52 Å²	52	49 Å²	49	27%	0.267	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-49.2	176.7	-58.7	171.5	0	0	0	110.1	L17 Y57 A110 T194 V198 S199 V200	L17-I196 HydrophobicContact CD1-CG2 4.34Å; L17-I196 HydrophobicContact CD2-CG2 4.09Å; Y57-I196 HydrophobicContact CD1-CD1 4.37Å; Y57-I196 HydrophobicContact CD2-CD1 3.36Å; Y57-I196 HydrophobicContact CD2-CG1 4.18Å; Y57-I196 HydrophobicContact CE2-CD1 3.76Å; Y57-I196 HydrophobicContact CG-CD1 3.7Å; Y57-I196 HydrophobicContact CG-CG1 4.03Å; A110-I196 HydrophobicContact CB-CG1 4.02Å; T194-I196 VanDerWaalsContact C-N 3.3Å; T194-I196 PolarHBondContact O-N 2.97Å; I196-V198 VanDerWaalsContact C-N 3.35Å; I196-V198 PolarHBondContact O-N 2.96Å; I196-S199 WeakPolarHBondContact O-CB 3.33Å; I196-S199 PolarHBondContact O-N 3.42Å; I196-V200 HydrophobicContact CG2-CG2 4.42Å; I196-V200 WeakPolarHBondContact O-CG2 3.41Å; I196-V200 PolarHBondContact O-N 3.45Å
197	G	98	Very high	96.9	Very high	40 Å²	40	50.4 Å²	50.4	41%	0.412	29%	0.293	S	S	.	.	H	α-helix	trans	-63.4	-39.4	-179.2	0	0	0	0	0	112.8	T194 K201	T194-G197 PolarHBondContact O-N 3.24Å; T194-G197 VanDerWaalsContact O-N 3.11Å; G197-K201 WeakPolarHBondContact O-CG 3.36Å; G197-K201 PolarHBondContact O-N 2.93Å
198	V	98.4	Very high	96.5	Very high	44 Å²	44	56.8 Å²	56.8	27%	0.267	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-42.8	173.6	173.6	0	0	0	0	110.9	V130 A190 T194 I196 K201 M202	V130-V198 HydrophobicContact CG1-CB 4.01Å; V130-V198 HydrophobicContact CG1-CG1 3.71Å; V130-V198 HydrophobicContact CG2-CG1 4.38Å; A190-V198 HydrophobicContact CB-CB 4.28Å; A190-V198 HydrophobicContact CB-CG2 3.88Å; T194-V198 WeakPolarHBondContact O-CG2 3.25Å; T194-V198 PolarHBondContact O-N 3.42Å; I196-V198 VanDerWaalsContact C-N 3.35Å; I196-V198 PolarHBondContact O-N 2.96Å; V198-K201 PolarHBondContact O-N 3.49Å; V198-M202 WeakPolarHBondContact O-CB 3.41Å; V198-M202 PolarHBondContact O-N 3.44Å
199	S	98.4	Very high	96.1	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-46.1	176.1	-60	0	0	0	0	112.3	V130 A195 I196 K201 M202 I203	V130-S199 WeakPolarHBondContact CB-OG 3.12Å; V130-S199 WeakPolarHBondContact CG2-OG 3.46Å; A195-S199 WeakPolarHBondContact O-CB 3.37Å; A195-S199 PolarHBondContact O-N 2.97Å; A195-S199 PolarHBondContact O-OG 2.97Å; I196-S199 WeakPolarHBondContact O-CB 3.33Å; I196-S199 PolarHBondContact O-N 3.42Å; S199-K201 PolarHBondContact O-N 3.48Å; S199-M202 WeakPolarHBondContact O-CB 3.22Å; S199-M202 PolarHBondContact O-N 3.18Å; S199-M202 VanDerWaalsContact O-N 3.15Å; S199-I203 WeakPolarHBondContact O-CG1 3.28Å; S199-I203 PolarHBondContact O-N 3.42Å
200	V	97.5	Very high	95.7	Very high	28 Å²	28	59.3 Å²	59.3	17%	0.17	34%	0.342	C	S	.	.	H	α-helix	trans	-59.3	-46.2	176.4	169.5	0	0	0	0	111	L15 L17 V55 I196 M202 I203 D204	L15-V200 HydrophobicContact CD1-CG1 4.24Å; L17-V200 HydrophobicContact CD2-CG2 3.79Å; V55-V200 HydrophobicContact CG2-CG2 4.18Å; I196-V200 HydrophobicContact CG2-CG2 4.42Å; I196-V200 WeakPolarHBondContact O-CG2 3.41Å; I196-V200 PolarHBondContact O-N 3.45Å; V200-M202 VanDerWaalsContact C-N 3.29Å; V200-M202 PolarHBondContact O-N 3.19Å; V200-I203 PolarHBondContact O-N 3.04Å; V200-D204 WeakPolarHBondContact O-CB 3.25Å; V200-D204 PolarHBondContact O-N 3.03Å
201	K	96.6	Very high	95.2	Very high	152 Å²	152	60.3 Å²	60.3	66%	0.661	35%	0.353	S	S	*	.	H	α-helix	trans	-61.6	-38.1	176.3	-75.1	177.2	-179.8	179.3	0	112.3	G197 V198 S199 A205	G197-K201 WeakPolarHBondContact O-CG 3.36Å; G197-K201 PolarHBondContact O-N 2.93Å; V198-K201 PolarHBondContact O-N 3.49Å; S199-K201 PolarHBondContact O-N 3.48Å; K201-A205 WeakPolarHBondContact O-CB 3.42Å; K201-A205 PolarHBondContact O-N 3.08Å
202	M	96.5	Very high	94.7	Very high	39 Å²	39	58.9 Å²	58.9	19%	0.192	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-45.6	178.1	-173	173.5	179.9	0	0	111.1	I108 L128 V130 R188 V198 S199 V200 A205 I206	I108-M202 HydrophobicContact CD1-CB 4.06Å; I108-M202 HydrophobicContact CD1-CG 3.95Å; I108-M202 HydrophobicContact CD1-SD 3.81Å; L128-M202 HydrophobicContact CB-CE 4.47Å; L128-M202 HydrophobicContact CD1-CE 3.27Å; L128-M202 HydrophobicContact CD1-SD 4.22Å; L128-M202 HydrophobicContact CD2-CE 4.49Å; L128-M202 HydrophobicContact CG-CE 4.26Å; V130-M202 HydrophobicContact CG2-SD 4.35Å; R188-M202 HydrophobicContact CG-SD 4.44Å; V198-M202 WeakPolarHBondContact O-CB 3.41Å; V198-M202 PolarHBondContact O-N 3.44Å; S199-M202 WeakPolarHBondContact O-CB 3.22Å; S199-M202 PolarHBondContact O-N 3.18Å; S199-M202 VanDerWaalsContact O-N 3.15Å; V200-M202 VanDerWaalsContact C-N 3.29Å; V200-M202 PolarHBondContact O-N 3.19Å; M202-A205 PolarHBondContact O-N 2.78Å; M202-I206 HydrophobicContact CG-CD1 4.48Å; M202-I206 WeakPolarHBondContact O-CG1 3.38Å; M202-I206 PolarHBondContact O-N 2.9Å
203	I	94.6	Very high	94.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.8	-43.9	177.2	-63.3	176.7	0	0	0	111.3	L15 G54 V55 I108 S199 V200 A205 I206 Y207	L15-I203 HydrophobicContact CD1-CB 3.96Å; L15-I203 HydrophobicContact CD1-CG2 3.79Å; L15-I203 HydrophobicContact CD2-CB 4.39Å; L15-I203 HydrophobicContact CD2-CG2 3.34Å; L15-I203 HydrophobicContact CG-CG2 4.2Å; G54-I203 WeakPolarHBondContact O-CD1 3.42Å; V55-I203 HydrophobicContact CG2-CD1 3.56Å; I108-I203 HydrophobicContact CB-CD1 4.39Å; I108-I203 HydrophobicContact CD1-CD1 4.04Å; I108-I203 HydrophobicContact CD1-CG1 3.42Å; I108-I203 VanDerWaalsContact CD1-CG1 3.42Å; I108-I203 HydrophobicContact CG1-CD1 3.9Å; I108-I203 HydrophobicContact CG1-CG1 3.79Å; S199-I203 WeakPolarHBondContact O-CG1 3.28Å; S199-I203 PolarHBondContact O-N 3.42Å; V200-I203 PolarHBondContact O-N 3.04Å; I203-A205 VanDerWaalsContact C-N 3.27Å; I203-A205 PolarHBondContact O-N 2.9Å; I203-I206 WeakPolarHBondContact O-CB 3.03Å; I203-I206 PolarHBondContact O-N 2.69Å; I203-I206 VanDerWaalsContact O-N 3.11Å; I203-Y207 HydrophobicContact CG2-CD2 3.47Å; I203-Y207 VanDerWaalsContact CG2-CD2 3.47Å; I203-Y207 HydrophobicContact CG2-CE2 3.26Å; I203-Y207 WeakPolarHBondContact O-CD2 3.33Å; I203-Y207 PolarHBondContact O-N 3.07Å
204	D	93.6	Very high	94	Very high	73 Å²	73	55.9 Å²	55.9	39%	0.39	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-37.5	176.2	178.6	73.7	0	0	0	112.1	V200 Y207 R208	V200-D204 WeakPolarHBondContact O-CB 3.25Å; V200-D204 PolarHBondContact O-N 3.03Å; D204-Y207 PolarHBondContact O-N 3.31Å; D204-R208 WeakPolarHBondContact O-CG 3.12Å; D204-R208 PolarHBondContact O-N 2.58Å; D204-R208 VanDerWaalsContact O-N 3.12Å; D204-R208 PolarHBondContact O-NE 2.91Å; D204-R208 IonicContact OD2-CZ 2.86Å; D204-R208 IonicContact OD2-NE 3.2Å; D204-R208 PolarHBondContact OD2-NE 3.47Å; D204-R208 IonicContact OD2-NH2 2.76Å; D204-R208 PolarHBondContact OD2-NH2 3.14Å
205	A	94.1	Very high	93.7	Very high	47 Å²	47	55.9 Å²	55.9	39%	0.388	31%	0.312	S	S	.	.	H	α-helix	trans	-65.3	-40.6	173.1	0	0	0	0	0	112.4	K201 M202 I203 Y207 R208	K201-A205 WeakPolarHBondContact O-CB 3.42Å; K201-A205 PolarHBondContact O-N 3.08Å; M202-A205 PolarHBondContact O-N 2.78Å; I203-A205 VanDerWaalsContact C-N 3.27Å; I203-A205 PolarHBondContact O-N 2.9Å; A205-Y207 PolarHBondContact O-N 3.14Å; A205-R208 PolarHBondContact O-N 3.07Å
206	I	92.2	Very high	93.3	Very high	39 Å²	39	58.9 Å²	58.9	20%	0.2	32%	0.323	C	S	.	.	H	α-helix	trans	-59.5	-46.5	175.9	-69.4	164.3	0	0	0	110.4	L128 M202 I203 R208 L209 L215	L128-I206 HydrophobicContact CD1-CD1 4.35Å; M202-I206 HydrophobicContact CG-CD1 4.48Å; M202-I206 WeakPolarHBondContact O-CG1 3.38Å; M202-I206 PolarHBondContact O-N 2.9Å; I203-I206 WeakPolarHBondContact O-CB 3.03Å; I203-I206 PolarHBondContact O-N 2.69Å; I203-I206 VanDerWaalsContact O-N 3.11Å; I206-R208 VanDerWaalsContact C-N 3.31Å; I206-R208 PolarHBondContact O-N 2.68Å; I206-L209 WeakPolarHBondContact O-CB 3.06Å; I206-L209 PolarHBondContact O-N 2.98Å; I206-L215 HydrophobicContact CG2-CD1 4.13Å; I206-L215 HydrophobicContact CG2-CD2 3.51Å; I206-L215 HydrophobicContact CG2-CG 4.49Å
207	Y	90	Very high	93	Very high	31 Å²	31	56.9 Å²	56.9	12%	0.122	32%	0.315	C	S	.	.	H	α-helix	trans	-81.7	-4.9	-177.2	-68.5	-62.9	0	0	0	115.6	L15 I52 P106 I203 D204 A205 L209 L212 L215 Y216	L15-Y207 HydrophobicContact CD2-CD2 4.2Å; L15-Y207 HydrophobicContact CD2-CE2 4.16Å; I52-Y207 HydrophobicContact CB-CD1 4.3Å; I52-Y207 HydrophobicContact CB-CE1 3.84Å; I52-Y207 HydrophobicContact CB-CE2 4.05Å; I52-Y207 HydrophobicContact CD1-CD1 3.6Å; I52-Y207 HydrophobicContact CD1-CD2 3.29Å; I52-Y207 HydrophobicContact CD1-CE1 3.99Å; I52-Y207 HydrophobicContact CD1-CE2 3.69Å; I52-Y207 HydrophobicContact CD1-CG 3.25Å; I52-Y207 HydrophobicContact CG1-CD1 4.14Å; I52-Y207 HydrophobicContact CG1-CD2 3.63Å; I52-Y207 HydrophobicContact CG1-CE1 4.01Å; I52-Y207 HydrophobicContact CG1-CE2 3.45Å; I52-Y207 VanDerWaalsContact CG1-CE2 3.45Å; I52-Y207 HydrophobicContact CG1-CG 3.98Å; I52-Y207 PolarHBondContact O-OH 2.6Å; P106-Y207 WeakPolarHBondContact CD-OH 3.3Å; P106-Y207 VanDerWaalsContact CG-OH 3.28Å; P106-Y207 WeakPolarHBondContact CG-OH 3.36Å; I203-Y207 HydrophobicContact CG2-CD2 3.47Å; I203-Y207 VanDerWaalsContact CG2-CD2 3.47Å; I203-Y207 HydrophobicContact CG2-CE2 3.26Å; I203-Y207 WeakPolarHBondContact O-CD2 3.33Å; I203-Y207 PolarHBondContact O-N 3.07Å; D204-Y207 PolarHBondContact O-N 3.31Å; A205-Y207 PolarHBondContact O-N 3.14Å; Y207-L209 VanDerWaalsContact C-N 3.3Å; Y207-L212 HydrophobicContact CD1-CD1 3.74Å; Y207-L212 HydrophobicContact CE1-CD1 3.42Å; Y207-L212 VanDerWaalsContact CE1-CD1 3.42Å; Y207-L215 HydrophobicContact CD1-CD2 4.46Å; Y207-L215 HydrophobicContact CE1-CD2 3.93Å; Y207-Y216 HydrophobicContact CE1-CE1 4.49Å
208	R	90.8	Very high	92.7	Very high	178 Å²	178	59.5 Å²	59.5	67%	0.672	32%	0.319	S	S	*	.	H	α-helix	trans	-78.9	-16.6	166	-81.6	-173.6	-83.7	-179.9	-7	112.6	D204 A205 I206	D204-R208 WeakPolarHBondContact O-CG 3.12Å; D204-R208 PolarHBondContact O-N 2.58Å; D204-R208 VanDerWaalsContact O-N 3.12Å; D204-R208 PolarHBondContact O-NE 2.91Å; D204-R208 IonicContact OD2-CZ 2.86Å; D204-R208 IonicContact OD2-NE 3.2Å; D204-R208 PolarHBondContact OD2-NE 3.47Å; D204-R208 IonicContact OD2-NH2 2.76Å; D204-R208 PolarHBondContact OD2-NH2 3.14Å; A205-R208 PolarHBondContact O-N 3.07Å; I206-R208 VanDerWaalsContact C-N 3.31Å; I206-R208 PolarHBondContact O-N 2.68Å
209	L	91.1	Very high	92.4	Very high	124 Å²	124	59 Å²	59	65%	0.649	31%	0.313	S	S	*	.	S	Bend	trans	-74.2	143.3	171.3	-58.6	173.9	0	0	0	110.2	I206 Y207	I206-L209 WeakPolarHBondContact O-CB 3.06Å; I206-L209 PolarHBondContact O-N 2.98Å; Y207-L209 VanDerWaalsContact C-N 3.3Å
210	P	88.5	Confident	92	Very high	113 Å²	113	60.9 Å²	60.9	73%	0.734	33%	0.326	S	S	*	.	S	Bend	trans	-71	162	171.9	31.9	-35.1	0	0	0	111.1
211	G	89.3	Confident	91.6	Very high	24 Å²	24	60.1 Å²	60.1	25%	0.247	32%	0.321	C	S	.	.			trans	88.5	57.9	172	0	0	0	0	0	114.1	S213 A214 L215 D249	G211-S213 VanDerWaalsContact C-N 3.29Å; G211-S213 PolarHBondContact O-N 3.18Å; G211-A214 WeakPolarHBondContact O-CB 3.16Å; G211-A214 PolarHBondContact O-N 3.07Å; G211-A214 VanDerWaalsContact O-N 3.13Å; G211-L215 PolarHBondContact O-N 2.9Å; G211-D249 WeakPolarHBondContact CA-OD2 3.3Å
212	L	88.3	Confident	91.2	Very high	59 Å²	59	57.7 Å²	57.7	31%	0.309	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-38.4	179.5	-173.8	59.3	0	0	0	111.8	Y207 A214 L215 Y216 D249	Y207-L212 HydrophobicContact CD1-CD1 3.74Å; Y207-L212 HydrophobicContact CE1-CD1 3.42Å; Y207-L212 VanDerWaalsContact CE1-CD1 3.42Å; L212-A214 VanDerWaalsContact C-N 3.32Å; L212-A214 PolarHBondContact O-N 2.73Å; L212-L215 HydrophobicContact CD1-CD2 4.2Å; L212-L215 PolarHBondContact O-N 2.97Å; L212-Y216 HydrophobicContact CD1-CD1 4.42Å; L212-Y216 HydrophobicContact CD1-CE1 3.76Å; L212-Y216 HydrophobicContact CD1-CE2 3.9Å; L212-Y216 VanDerWaalsContact CD1-CZ 3.47Å; L212-Y216 HydrophobicContact CD2-CE2 4.14Å; L212-Y216 HydrophobicContact CG-CD2 4.26Å; L212-Y216 HydrophobicContact CG-CE1 4.47Å; L212-Y216 HydrophobicContact CG-CE2 3.73Å; L212-Y216 PolarHBondContact O-N 2.87Å; L212-Y216 VanDerWaalsContact O-N 3.08Å; L212-D249 PolarHBondContact N-OD2 2.91Å
213	S	89	Confident	90.8	Very high	43 Å²	43	57 Å²	57	30%	0.301	32%	0.315	S	S	.	.	H	α-helix	trans	-65.8	-35.9	175.5	-63.1	0	0	0	0	112.1	G211 Y216 A217 S248 D249	G211-S213 VanDerWaalsContact C-N 3.29Å; G211-S213 PolarHBondContact O-N 3.18Å; S213-Y216 PolarHBondContact O-N 3.18Å; S213-A217 WeakPolarHBondContact O-CB 3.48Å; S213-A217 PolarHBondContact O-N 3.14Å; S213-S248 PolarHBondContact OG-OG 3.3Å; S213-D249 WeakPolarHBondContact CB-OD2 3.29Å; S213-D249 PolarHBondContact N-OD2 2.74Å; S213-D249 PolarHBondContact OG-OD2 2.67Å
214	A	92.5	Very high	90.4	Very high	35 Å²	35	59.9 Å²	59.9	29%	0.289	33%	0.326	S	S	.	.	H	α-helix	trans	-67.5	-45.8	176.2	0	0	0	0	0	111	G211 L212 Y216 A217 D218 A245	G211-A214 WeakPolarHBondContact O-CB 3.16Å; G211-A214 PolarHBondContact O-N 3.07Å; G211-A214 VanDerWaalsContact O-N 3.13Å; L212-A214 VanDerWaalsContact C-N 3.32Å; L212-A214 PolarHBondContact O-N 2.73Å; A214-Y216 VanDerWaalsContact C-N 3.29Å; A214-Y216 PolarHBondContact O-N 3.39Å; A214-A217 PolarHBondContact O-N 3.13Å; A214-D218 WeakPolarHBondContact O-CB 3.5Å; A214-D218 VanDerWaalsContact O-CG 3.29Å; A214-D218 PolarHBondContact O-N 2.81Å; A214-A245 HydrophobicContact CB-CB 4.14Å
215	L	92	Very high	89.9	Confident	53 Å²	53	59.2 Å²	59.2	28%	0.277	33%	0.327	S	S	.	.	H	α-helix	trans	-53.5	-46.9	174.2	175.2	66.7	0	0	0	111.9	P106 I206 Y207 G211 L212 R219	P106-L215 HydrophobicContact CG-CD2 4.49Å; I206-L215 HydrophobicContact CG2-CD1 4.13Å; I206-L215 HydrophobicContact CG2-CD2 3.51Å; I206-L215 HydrophobicContact CG2-CG 4.49Å; Y207-L215 HydrophobicContact CD1-CD2 4.46Å; Y207-L215 HydrophobicContact CE1-CD2 3.93Å; G211-L215 PolarHBondContact O-N 2.9Å; L212-L215 HydrophobicContact CD1-CD2 4.2Å; L212-L215 PolarHBondContact O-N 2.97Å; L215-R219 WeakPolarHBondContact O-CB 3.49Å; L215-R219 PolarHBondContact O-N 2.91Å
216	Y	90.3	Very high	89.4	Confident	62 Å²	62	59.5 Å²	59.5	24%	0.243	33%	0.326	C	S	.	.	H	α-helix	trans	-70.1	-39.6	-179.1	-66.3	-17.9	0	0	0	112.8	I52 Y207 L212 S213 A214 S220	I52-Y216 PolarHBondContact O-OH 2.77Å; Y207-Y216 HydrophobicContact CE1-CE1 4.49Å; L212-Y216 HydrophobicContact CD1-CD1 4.42Å; L212-Y216 HydrophobicContact CD1-CE1 3.76Å; L212-Y216 HydrophobicContact CD1-CE2 3.9Å; L212-Y216 VanDerWaalsContact CD1-CZ 3.47Å; L212-Y216 HydrophobicContact CD2-CE2 4.14Å; L212-Y216 HydrophobicContact CG-CD2 4.26Å; L212-Y216 HydrophobicContact CG-CE1 4.47Å; L212-Y216 HydrophobicContact CG-CE2 3.73Å; L212-Y216 PolarHBondContact O-N 2.87Å; L212-Y216 VanDerWaalsContact O-N 3.08Å; S213-Y216 PolarHBondContact O-N 3.18Å; A214-Y216 VanDerWaalsContact C-N 3.29Å; A214-Y216 PolarHBondContact O-N 3.39Å; Y216-S220 WeakPolarHBondContact O-CB 3.31Å; Y216-S220 PolarHBondContact O-N 3.22Å
217	A	90.8	Very high	88.6	Confident	10 Å²	10	59.8 Å²	59.8	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-61.6	-53	174.8	0	0	0	0	0	111.1	S213 A214 R219 S220 N221 E241 A245	S213-A217 WeakPolarHBondContact O-CB 3.48Å; S213-A217 PolarHBondContact O-N 3.14Å; A214-A217 PolarHBondContact O-N 3.13Å; A217-R219 PolarHBondContact O-N 2.88Å; A217-S220 PolarHBondContact O-N 2.79Å; A217-N221 WeakPolarHBondContact O-CB 3.08Å; A217-N221 VanDerWaalsContact O-CG 3.32Å; A217-N221 PolarHBondContact O-N 2.56Å; A217-N221 PolarHBondContact O-ND2 2.96Å; A217-E241 HydrophobicContact CB-CB 4.1Å; A217-A245 HydrophobicContact CB-CB 4.09Å
218	D	92.7	Very high	87.7	Confident	96 Å²	96	60.9 Å²	60.9	51%	0.513	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-47.2	-178.5	-68.3	-12.1	0	0	0	111.1	A214 S220 N221 V222	A214-D218 WeakPolarHBondContact O-CB 3.5Å; A214-D218 VanDerWaalsContact O-CG 3.29Å; A214-D218 PolarHBondContact O-N 2.81Å; D218-S220 PolarHBondContact O-N 3.45Å; D218-N221 PolarHBondContact O-N 3.46Å; D218-V222 WeakPolarHBondContact O-CG2 3.47Å; D218-V222 PolarHBondContact O-N 3.47Å
219	R	92.3	Very high	86.4	Confident	33 Å²	33	58.3 Å²	58.3	13%	0.125	35%	0.345	C	S	.	.	H	α-helix	trans	-58.5	-50.1	177	178	176.9	171.3	-82.1	-2.2	111.6	F103 S104 K105 D127 L215 A217 N221 V222 I223	F103-R219 PolarHBondContact O-NH1 3.42Å; F103-R219 PolarHBondContact O-NH2 3Å; F103-R219 VanDerWaalsContact O-NH2 3.07Å; S104-R219 PolarHBondContact O-NH1 3.45Å; K105-R219 PolarHBondContact O-NH2 3.44Å; D127-R219 IonicContact OD1-CZ 3.17Å; D127-R219 IonicContact OD1-NE 3.15Å; D127-R219 PolarHBondContact OD1-NE 2.9Å; D127-R219 IonicContact OD1-NH2 2.9Å; D127-R219 PolarHBondContact OD1-NH2 2.88Å; D127-R219 IonicContact OD2-CZ 3.08Å; D127-R219 IonicContact OD2-NE 2.76Å; D127-R219 PolarHBondContact OD2-NE 3.35Å; D127-R219 VanDerWaalsContact OD2-NE 3.08Å; D127-R219 IonicContact OD2-NH2 2.78Å; D127-R219 PolarHBondContact OD2-NH2 3.4Å; L215-R219 WeakPolarHBondContact O-CB 3.49Å; L215-R219 PolarHBondContact O-N 2.91Å; A217-R219 PolarHBondContact O-N 2.88Å; R219-N221 VanDerWaalsContact C-N 3.35Å; R219-N221 PolarHBondContact O-N 3.35Å; R219-V222 PolarHBondContact O-N 3.31Å; R219-I223 HydrophobicContact CG-CD1 3.71Å; R219-I223 WeakPolarHBondContact O-CB 2.96Å; R219-I223 WeakPolarHBondContact O-CD1 3.44Å; R219-I223 VanDerWaalsContact O-CG1 3.29Å; R219-I223 WeakPolarHBondContact O-CG1 3.26Å; R219-I223 PolarHBondContact O-N 3.16Å
220	S	88.8	Confident	85.5	Confident	40 Å²	40	59.3 Å²	59.3	28%	0.28	34%	0.344	S	S	.	.	H	α-helix	trans	-59.8	-44.3	179.8	175.1	0	0	0	0	111.7	Y216 A217 D218 I223 R224	Y216-S220 WeakPolarHBondContact O-CB 3.31Å; Y216-S220 PolarHBondContact O-N 3.22Å; A217-S220 PolarHBondContact O-N 2.79Å; D218-S220 PolarHBondContact O-N 3.45Å; S220-I223 PolarHBondContact O-N 3.21Å; S220-R224 VanDerWaalsContact O-CB 3.31Å; S220-R224 WeakPolarHBondContact O-CB 3.26Å; S220-R224 PolarHBondContact O-N 3.12Å; S220-R224 PolarHBondContact OG-NH2 3.23Å
221	N	89	Confident	85	Confident	12 Å²	12	59.6 Å²	59.6	6%	0.064	34%	0.339	C	S	.	.	H	α-helix	trans	-64.9	-45.7	179.6	-73.8	-46	0	0	0	112.5	A217 D218 R219 R224 S225 E238 E241	A217-N221 WeakPolarHBondContact O-CB 3.08Å; A217-N221 VanDerWaalsContact O-CG 3.32Å; A217-N221 PolarHBondContact O-N 2.56Å; A217-N221 PolarHBondContact O-ND2 2.96Å; D218-N221 PolarHBondContact O-N 3.46Å; R219-N221 VanDerWaalsContact C-N 3.35Å; R219-N221 PolarHBondContact O-N 3.35Å; N221-R224 PolarHBondContact O-N 3.36Å; N221-R224 PolarHBondContact OD1-NH1 2.99Å; N221-S225 WeakPolarHBondContact O-CB 3.42Å; N221-S225 PolarHBondContact O-N 3.42Å; N221-S225 PolarHBondContact O-OG 3.05Å; N221-E238 HydrophobicContact CB-CG 4.38Å; N221-E238 WeakPolarHBondContact OD1-CA 3.44Å; N221-E241 PolarHBondContact ND2-OE2 3.01Å; N221-E241 PolarHBondContact OD1-OE2 3.08Å
222	V	89.6	Confident	84.4	Confident	100 Å²	100	62.7 Å²	62.7	61%	0.606	36%	0.357	S	S	*	.	H	α-helix	trans	-63.2	-43.4	177.4	170.2	0	0	0	0	111.6	D218 R219 S225 S226	D218-V222 WeakPolarHBondContact O-CG2 3.47Å; D218-V222 PolarHBondContact O-N 3.47Å; R219-V222 PolarHBondContact O-N 3.31Å; V222-S225 PolarHBondContact O-OG 2.96Å; V222-S226 PolarHBondContact O-N 3.1Å; V222-S226 VanDerWaalsContact O-N 3.14Å
223	I	87.3	Confident	83.9	Confident	25 Å²	25	66.1 Å²	66.1	13%	0.128	37%	0.372	C	S	.	.	H	α-helix	trans	-59.8	-51.7	175.4	-74.3	164.7	0	0	0	109.3	T102 R219 S220 S225 S226 H227	T102-I223 HydrophobicContact CG2-CB 4.38Å; T102-I223 HydrophobicContact CG2-CD1 3.95Å; T102-I223 HydrophobicContact CG2-CG1 4.26Å; T102-I223 HydrophobicContact CG2-CG2 3.27Å; R219-I223 HydrophobicContact CG-CD1 3.71Å; R219-I223 WeakPolarHBondContact O-CB 2.96Å; R219-I223 WeakPolarHBondContact O-CD1 3.44Å; R219-I223 VanDerWaalsContact O-CG1 3.29Å; R219-I223 WeakPolarHBondContact O-CG1 3.26Å; R219-I223 PolarHBondContact O-N 3.16Å; S220-I223 PolarHBondContact O-N 3.21Å; I223-S225 VanDerWaalsContact C-N 3.34Å; I223-S225 PolarHBondContact O-N 2.96Å; I223-S226 PolarHBondContact O-N 3.43Å; I223-S226 PolarHBondContact O-OG 3.24Å; I223-H227 PolarHBondContact O-ND1 3.31Å
224	R	85.2	Confident	83.6	Confident	61 Å²	61	64.9 Å²	64.9	23%	0.23	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-43.5	-177	-167.3	-176.3	-53.4	118	-5	112	S220 N221 S226 H227 C228 L234 E241	S220-R224 VanDerWaalsContact O-CB 3.31Å; S220-R224 WeakPolarHBondContact O-CB 3.26Å; S220-R224 PolarHBondContact O-N 3.12Å; S220-R224 PolarHBondContact OG-NH2 3.23Å; N221-R224 PolarHBondContact O-N 3.36Å; N221-R224 PolarHBondContact OD1-NH1 2.99Å; R224-S226 VanDerWaalsContact C-N 3.28Å; R224-S226 PolarHBondContact O-N 3.32Å; R224-H227 PolarHBondContact O-N 3.04Å; R224-C228 PolarHBondContact O-N 3.46Å; R224-C228 VanDerWaalsContact O-N 3.14Å; R224-L234 HydrophobicContact CB-CD2 4.4Å; R224-L234 HydrophobicContact CG-CD2 3.77Å; R224-E241 IonicContact CZ-OE1 3.37Å; R224-E241 IonicContact NH1-OE1 3.26Å; R224-E241 PolarHBondContact NH1-OE1 3.46Å; R224-E241 IonicContact NH1-OE2 3.75Å; R224-E241 IonicContact NH2-OE1 2.72Å; R224-E241 PolarHBondContact NH2-OE1 3.36Å; R224-E241 IonicContact NH2-OE2 3.48Å; R224-E241 PolarHBondContact NH2-OE2 3.48Å
225	S	83.5	Confident	83.1	Confident	59 Å²	59	67.4 Å²	67.4	41%	0.413	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-35.9	180	70.4	0	0	0	0	112.2	N221 V222 I223 H227 C228	N221-S225 WeakPolarHBondContact O-CB 3.42Å; N221-S225 PolarHBondContact O-N 3.42Å; N221-S225 PolarHBondContact O-OG 3.05Å; V222-S225 PolarHBondContact O-OG 2.96Å; I223-S225 VanDerWaalsContact C-N 3.34Å; I223-S225 PolarHBondContact O-N 2.96Å; S225-H227 PolarHBondContact O-N 3.31Å; S225-H227 VanDerWaalsContact O-N 3.15Å; S225-C228 PolarHBondContact O-N 2.89Å
226	S	83.2	Confident	82.8	Confident	53 Å²	53	72.8 Å²	72.8	37%	0.371	39%	0.394	S	S	.	.	H	α-helix	trans	-64.5	-19.1	175.4	75.4	0	0	0	0	113.9	R158 V222 I223 R224	R158-S226 VanDerWaalsContact CD-O 3.25Å; R158-S226 WeakPolarHBondContact CD-O 3.47Å; R158-S226 PolarHBondContact NE-O 3.33Å; V222-S226 PolarHBondContact O-N 3.1Å; V222-S226 VanDerWaalsContact O-N 3.14Å; I223-S226 PolarHBondContact O-N 3.43Å; I223-S226 PolarHBondContact O-OG 3.24Å; R224-S226 VanDerWaalsContact C-N 3.28Å; R224-S226 PolarHBondContact O-N 3.32Å
227	H	77.1	Confident	82.5	Confident	45 Å²	45	73.7 Å²	73.7	21%	0.208	40%	0.402	C	S	.	.	H	α-helix	trans	-102.4	-20.5	-178.3	-64.8	81.5	0	0	0	114.1	L101 R158 I223 R224 S225	L101-H227 HydrophobicContact CD1-CB 3.87Å; L101-H227 WeakPolarHBondContact CD1-CD2 3.47Å; R158-H227 PolarHBondContact NH1-CD2 3.47Å; R158-H227 PolarHBondContact NH1-NE2 2.95Å; R158-H227 VanDerWaalsContact NH1-NE2 3.18Å; I223-H227 PolarHBondContact O-ND1 3.31Å; R224-H227 PolarHBondContact O-N 3.04Å; S225-H227 PolarHBondContact O-N 3.31Å; S225-H227 VanDerWaalsContact O-N 3.15Å
228	C	71	Confident	82.4	Confident	54 Å²	54	78.1 Å²	78.1	37%	0.365	42%	0.421	S	S	.	.			trans	-104.2	133	-170.6	-137.5	0	0	0	0	111.9	R224 S225 L234	R224-C228 PolarHBondContact O-N 3.46Å; R224-C228 VanDerWaalsContact O-N 3.14Å; S225-C228 PolarHBondContact O-N 2.89Å; C228-L234 HydrophobicContact CB-CD1 3.96Å; C228-L234 HydrophobicContact CB-CD2 3.96Å; C228-L234 HydrophobicContact CB-CG 4.24Å
229	P	63.6	Low	82.2	Confident	124 Å²	124	81.1 Å²	81.1	81%	0.805	43%	0.426	S	S	*	.	S	Bend	trans	-85.1	-0.9	-179.1	30.5	-32.7	0	0	0	114.9
230	K	71.2	Confident	82.1	Confident	145 Å²	145	81.8 Å²	81.8	63%	0.63	44%	0.438	S	S	*	.			trans	-123.4	107.7	-175.7	-69.2	-174.5	-179.7	179.1	0	112.3	S232	K230-S232 PolarHBondContact O-N 3.33Å
231	D	77.6	Confident	82.2	Confident	119 Å²	119	82.2 Å²	82.2	64%	0.636	44%	0.436	S	S	*	.	H	α-helix	trans	-68	-31.1	-173.1	-58.4	-18.4	0	0	0	114.4	E233 L234 V235	D231-E233 VanDerWaalsContact C-N 3.34Å; D231-E233 PolarHBondContact O-N 3.31Å; D231-L234 WeakPolarHBondContact O-CB 3.48Å; D231-L234 PolarHBondContact O-N 2.96Å; D231-L234 VanDerWaalsContact O-N 3.14Å; D231-V235 WeakPolarHBondContact O-CG2 3.4Å; D231-V235 PolarHBondContact O-N 3.45Å; D231-V235 VanDerWaalsContact O-N 3.08Å
232	S	77.7	Confident	82.3	Confident	89 Å²	89	83.5 Å²	83.5	62%	0.622	45%	0.448	S	S	*	.	H	α-helix	trans	-67.2	-30	-169.9	60.1	0	0	0	0	114.7	K230	K230-S232 PolarHBondContact O-N 3.33Å
233	E	78.4	Confident	82.5	Confident	131 Å²	131	81.6 Å²	81.6	61%	0.612	43%	0.434	S	S	*	.	H	α-helix	trans	-79	-37	173.3	-70.1	-177.5	167.6	0	0	111.2	D231 V235 K236 M237	D231-E233 VanDerWaalsContact C-N 3.34Å; D231-E233 PolarHBondContact O-N 3.31Å; E233-V235 PolarHBondContact O-N 3.13Å; E233-K236 PolarHBondContact O-N 3.49Å; E233-M237 WeakPolarHBondContact O-CG 3.48Å; E233-M237 PolarHBondContact O-N 3.39Å
234	L	81.2	Confident	82.8	Confident	16 Å²	16	85.3 Å²	85.3	8%	0.084	45%	0.454	C	S	.	.	H	α-helix	trans	-60.7	-44.7	179	-65.2	173.8	0	0	0	111.9	R224 C228 D231 K236 M237 E238	R224-L234 HydrophobicContact CB-CD2 4.4Å; R224-L234 HydrophobicContact CG-CD2 3.77Å; C228-L234 HydrophobicContact CB-CD1 3.96Å; C228-L234 HydrophobicContact CB-CD2 3.96Å; C228-L234 HydrophobicContact CB-CG 4.24Å; D231-L234 WeakPolarHBondContact O-CB 3.48Å; D231-L234 PolarHBondContact O-N 2.96Å; D231-L234 VanDerWaalsContact O-N 3.14Å; L234-K236 VanDerWaalsContact C-N 3.3Å; L234-K236 PolarHBondContact O-N 3.14Å; L234-M237 PolarHBondContact O-N 2.88Å; L234-E238 WeakPolarHBondContact O-CB 3.41Å; L234-E238 PolarHBondContact O-N 3.01Å
235	V	82.9	Confident	83.1	Confident	89 Å²	89	82.7 Å²	82.7	54%	0.539	45%	0.446	S	S	.	.	H	α-helix	trans	-60.9	-39	-179.7	174.4	0	0	0	0	112	D231 E233 Y239	D231-V235 WeakPolarHBondContact O-CG2 3.4Å; D231-V235 PolarHBondContact O-N 3.45Å; D231-V235 VanDerWaalsContact O-N 3.08Å; E233-V235 PolarHBondContact O-N 3.13Å; V235-Y239 WeakPolarHBondContact O-CB 3.37Å; V235-Y239 PolarHBondContact O-N 2.98Å
236	K	84.9	Confident	83.5	Confident	165 Å²	165	85.1 Å²	85.1	72%	0.717	45%	0.449	S	S	*	.	H	α-helix	trans	-67.3	-41.3	177.8	-69.5	179.5	-178.2	175.8	0	111.6	E233 L234 A240	E233-K236 PolarHBondContact O-N 3.49Å; L234-K236 VanDerWaalsContact C-N 3.3Å; L234-K236 PolarHBondContact O-N 3.14Å; K236-A240 WeakPolarHBondContact O-CB 3.4Å; K236-A240 PolarHBondContact O-N 3.3Å; K236-A240 VanDerWaalsContact O-N 3.14Å
237	M	84.8	Confident	83.9	Confident	82 Å²	82	89.1 Å²	89.1	40%	0.404	46%	0.46	S	S	.	.	H	α-helix	trans	-66.7	-45.7	177.2	-66	178.5	75.5	0	0	111.2	E233 L234 Y239 A240 E241	E233-M237 WeakPolarHBondContact O-CG 3.48Å; E233-M237 PolarHBondContact O-N 3.39Å; L234-M237 PolarHBondContact O-N 2.88Å; M237-Y239 VanDerWaalsContact C-N 3.35Å; M237-Y239 PolarHBondContact O-N 3.42Å; M237-A240 PolarHBondContact O-N 3.48Å; M237-E241 WeakPolarHBondContact O-CG 3.13Å; M237-E241 PolarHBondContact O-N 3.08Å
238	E	87.6	Confident	84.7	Confident	103 Å²	103	90.5 Å²	90.5	48%	0.481	48%	0.475	S	S	.	.	H	α-helix	trans	-55.9	-50.7	176.2	-179.2	-175.6	165.6	0	0	110.6	N221 L234 A240 E241 A242	N221-E238 HydrophobicContact CB-CG 4.38Å; N221-E238 WeakPolarHBondContact OD1-CA 3.44Å; L234-E238 WeakPolarHBondContact O-CB 3.41Å; L234-E238 PolarHBondContact O-N 3.01Å; E238-A240 VanDerWaalsContact C-N 3.3Å; E238-A240 PolarHBondContact O-N 2.96Å; E238-E241 PolarHBondContact O-N 2.88Å; E238-A242 WeakPolarHBondContact O-CB 3.44Å; E238-A242 PolarHBondContact O-N 3.23Å
239	Y	89.8	Confident	85.6	Confident	158 Å²	158	89.9 Å²	89.9	62%	0.62	47%	0.468	S	S	*	.	H	α-helix	trans	-58.8	-41.7	178.8	-173.7	-101.7	0	0	0	112.4	V235 M237 L243	V235-Y239 WeakPolarHBondContact O-CB 3.37Å; V235-Y239 PolarHBondContact O-N 2.98Å; M237-Y239 VanDerWaalsContact C-N 3.35Å; M237-Y239 PolarHBondContact O-N 3.42Å; Y239-L243 HydrophobicContact CD1-CD1 3.77Å; Y239-L243 HydrophobicContact CD1-CG 4.41Å; Y239-L243 HydrophobicContact CE1-CD1 3.2Å; Y239-L243 HydrophobicContact CE1-CG 4.06Å; Y239-L243 HydrophobicContact CE2-CD1 4.36Å; Y239-L243 HydrophobicContact CE2-CG 4.43Å; Y239-L243 WeakPolarHBondContact O-CB 3.29Å; Y239-L243 WeakPolarHBondContact O-CG 3.44Å; Y239-L243 PolarHBondContact O-N 2.89Å
240	A	90.4	Very high	86.8	Confident	47 Å²	47	85.1 Å²	85.1	39%	0.388	44%	0.441	S	S	.	.	H	α-helix	trans	-67.1	-46.8	178.4	0	0	0	0	0	112.4	K236 M237 E238 L243 N244	K236-A240 WeakPolarHBondContact O-CB 3.4Å; K236-A240 PolarHBondContact O-N 3.3Å; K236-A240 VanDerWaalsContact O-N 3.14Å; M237-A240 PolarHBondContact O-N 3.48Å; E238-A240 VanDerWaalsContact C-N 3.3Å; E238-A240 PolarHBondContact O-N 2.96Å; A240-L243 PolarHBondContact O-N 3.26Å; A240-N244 VanDerWaalsContact O-CG 3.28Å; A240-N244 PolarHBondContact O-N 2.95Å; A240-N244 PolarHBondContact O-ND2 3.02Å
241	E	90	Very high	87.7	Confident	50 Å²	50	82 Å²	82	23%	0.234	43%	0.43	C	S	.	.	H	α-helix	trans	-65.5	-43.4	178.5	-71.4	179.7	-157	0	0	111.3	A217 N221 R224 M237 E238 N244 A245	A217-E241 HydrophobicContact CB-CB 4.1Å; N221-E241 PolarHBondContact ND2-OE2 3.01Å; N221-E241 PolarHBondContact OD1-OE2 3.08Å; R224-E241 IonicContact CZ-OE1 3.37Å; R224-E241 IonicContact NH1-OE1 3.26Å; R224-E241 PolarHBondContact NH1-OE1 3.46Å; R224-E241 IonicContact NH1-OE2 3.75Å; R224-E241 IonicContact NH2-OE1 2.72Å; R224-E241 PolarHBondContact NH2-OE1 3.36Å; R224-E241 IonicContact NH2-OE2 3.48Å; R224-E241 PolarHBondContact NH2-OE2 3.48Å; M237-E241 WeakPolarHBondContact O-CG 3.13Å; M237-E241 PolarHBondContact O-N 3.08Å; E238-E241 PolarHBondContact O-N 2.88Å; E241-N244 PolarHBondContact O-N 2.99Å; E241-A245 WeakPolarHBondContact O-CB 3.27Å; E241-A245 PolarHBondContact O-N 3.4Å
242	A	91.4	Very high	88.3	Confident	38 Å²	38	83.2 Å²	83.2	31%	0.314	43%	0.43	S	S	.	.	H	α-helix	trans	-62.4	-43.7	176.3	0	0	0	0	0	112	E238 N244 A245 F246	E238-A242 WeakPolarHBondContact O-CB 3.44Å; E238-A242 PolarHBondContact O-N 3.23Å; A242-N244 VanDerWaalsContact C-N 3.33Å; A242-N244 PolarHBondContact O-N 3.47Å; A242-A245 PolarHBondContact O-N 2.94Å; A242-F246 WeakPolarHBondContact O-CB 3.41Å; A242-F246 PolarHBondContact O-N 3.23Å
243	L	93.2	Very high	89	Confident	60 Å²	60	80.2 Å²	80.2	31%	0.314	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-38.9	175	-84	-179.7	0	0	0	112.5	Y239 A240 F246 K247	Y239-L243 HydrophobicContact CD1-CD1 3.77Å; Y239-L243 HydrophobicContact CD1-CG 4.41Å; Y239-L243 HydrophobicContact CE1-CD1 3.2Å; Y239-L243 HydrophobicContact CE1-CG 4.06Å; Y239-L243 HydrophobicContact CE2-CD1 4.36Å; Y239-L243 HydrophobicContact CE2-CG 4.43Å; Y239-L243 WeakPolarHBondContact O-CB 3.29Å; Y239-L243 WeakPolarHBondContact O-CG 3.44Å; Y239-L243 PolarHBondContact O-N 2.89Å; A240-L243 PolarHBondContact O-N 3.26Å; L243-F246 PolarHBondContact O-N 3.33Å; L243-K247 VanDerWaalsContact O-CG 3.28Å; L243-K247 WeakPolarHBondContact O-CG 3.31Å; L243-K247 PolarHBondContact O-N 3.37Å
244	N	93.6	Very high	89.5	Confident	103 Å²	103	79.6 Å²	79.6	55%	0.551	41%	0.409	S	S	*	.	H	α-helix	trans	-66.1	-45	177	-72.9	-23.3	0	0	0	111.2	A240 E241 A242 F246 K247 S248	A240-N244 VanDerWaalsContact O-CG 3.28Å; A240-N244 PolarHBondContact O-N 2.95Å; A240-N244 PolarHBondContact O-ND2 3.02Å; E241-N244 PolarHBondContact O-N 2.99Å; A242-N244 VanDerWaalsContact C-N 3.33Å; A242-N244 PolarHBondContact O-N 3.47Å; N244-F246 VanDerWaalsContact C-N 3.34Å; N244-F246 PolarHBondContact O-N 3.23Å; N244-K247 PolarHBondContact O-N 3.4Å; N244-S248 PolarHBondContact O-N 2.88Å
245	A	91.8	Very high	90	Very high	6 Å²	6	82.8 Å²	82.8	5%	0.05	43%	0.426	C	S	.	.	H	α-helix	trans	-60.9	-42.1	174.1	0	0	0	0	0	112.4	A214 A217 E241 A242 K247 S248 D249 G250	A214-A245 HydrophobicContact CB-CB 4.14Å; A217-A245 HydrophobicContact CB-CB 4.09Å; E241-A245 WeakPolarHBondContact O-CB 3.27Å; E241-A245 PolarHBondContact O-N 3.4Å; A242-A245 PolarHBondContact O-N 2.94Å; A245-K247 PolarHBondContact O-N 3.28Å; A245-S248 PolarHBondContact O-N 2.9Å; A245-D249 PolarHBondContact O-N 2.92Å; A245-G250 PolarHBondContact O-N 2.94Å
246	F	91.7	Very high	90.3	Very high	111 Å²	111	82.5 Å²	82.5	49%	0.487	42%	0.421	S	S	.	.	I	π-helix	trans	-62.5	-41.5	177.2	-176.2	-101	0	0	0	112.1	A242 L243 N244 G250 I251	A242-F246 WeakPolarHBondContact O-CB 3.41Å; A242-F246 PolarHBondContact O-N 3.23Å; L243-F246 PolarHBondContact O-N 3.33Å; N244-F246 VanDerWaalsContact C-N 3.34Å; N244-F246 PolarHBondContact O-N 3.23Å; F246-G250 CarbonylContact O-C 3.5Å; F246-G250 WeakPolarHBondContact O-CA 3.34Å; F246-G250 PolarHBondContact O-N 2.72Å; F246-I251 HydrophobicContact CD1-CG1 4.23Å; F246-I251 HydrophobicContact CE1-CG1 3.82Å; F246-I251 HydrophobicContact CZ-CG1 4.24Å; F246-I251 PolarHBondContact O-N 2.59Å
247	K	92.6	Very high	90.5	Very high	137 Å²	137	79.8 Å²	79.8	60%	0.596	41%	0.41	S	S	*	.	I	π-helix	trans	-66.7	-38.6	175.8	-73	170.8	-175.9	175.2	0	112.8	L243 N244 A245	L243-K247 VanDerWaalsContact O-CG 3.28Å; L243-K247 WeakPolarHBondContact O-CG 3.31Å; L243-K247 PolarHBondContact O-N 3.37Å; N244-K247 PolarHBondContact O-N 3.4Å; A245-K247 PolarHBondContact O-N 3.28Å
248	S	92.3	Very high	90.7	Very high	74 Å²	74	79 Å²	79	52%	0.517	41%	0.406	S	S	.	.	I	π-helix	trans	-68.1	-56.2	179.3	-176.6	0	0	0	0	111.5	S213 N244 A245	S213-S248 PolarHBondContact OG-OG 3.3Å; N244-S248 PolarHBondContact O-N 2.88Å; A245-S248 PolarHBondContact O-N 2.9Å
249	D	90.5	Very high	90.7	Very high	41 Å²	41	77.5 Å²	77.5	22%	0.219	41%	0.406	C	S	.	.	I	π-helix	trans	-121.9	-32.6	-166.3	-56.8	-8.6	0	0	0	112.2	G211 L212 S213 A245 I251 K252 G253	G211-D249 WeakPolarHBondContact CA-OD2 3.3Å; L212-D249 PolarHBondContact N-OD2 2.91Å; S213-D249 WeakPolarHBondContact CB-OD2 3.29Å; S213-D249 PolarHBondContact N-OD2 2.74Å; S213-D249 PolarHBondContact OG-OD2 2.67Å; A245-D249 PolarHBondContact O-N 2.92Å; D249-I251 PolarHBondContact O-N 3.05Å; D249-K252 PolarHBondContact O-N 3.14Å; D249-G253 PolarHBondContact O-N 3.16Å
250	G	89.4	Confident	90.4	Very high	23 Å²	23	76 Å²	76	24%	0.237	41%	0.405	C	S	.	.	I	π-helix	trans	-63.4	-41.5	-171	0	0	0	0	0	114.2	A245 F246 K252 G253 F254	A245-G250 PolarHBondContact O-N 2.94Å; F246-G250 CarbonylContact O-C 3.5Å; F246-G250 WeakPolarHBondContact O-CA 3.34Å; F246-G250 PolarHBondContact O-N 2.72Å; G250-K252 VanDerWaalsContact C-N 3.35Å; G250-K252 PolarHBondContact O-N 3.15Å; G250-G253 PolarHBondContact O-N 2.71Å; G250-F254 WeakPolarHBondContact O-CB 3.48Å; G250-F254 PolarHBondContact O-N 3.03Å
251	I	89.9	Confident	90	Very high	81 Å²	81	78.6 Å²	78.6	42%	0.415	41%	0.409	S	S	.	.	H	α-helix	trans	-59.9	-46.6	177.4	-65.1	170.3	0	0	0	110.7	F246 D249 F254 N255	F246-I251 HydrophobicContact CD1-CG1 4.23Å; F246-I251 HydrophobicContact CE1-CG1 3.82Å; F246-I251 HydrophobicContact CZ-CG1 4.24Å; F246-I251 PolarHBondContact O-N 2.59Å; D249-I251 PolarHBondContact O-N 3.05Å; I251-F254 PolarHBondContact O-N 2.84Å; I251-N255 PolarHBondContact O-N 2.9Å; I251-N255 VanDerWaalsContact O-N 3.12Å; I251-N255 PolarHBondContact O-ND2 3.42Å
252	K	91.3	Very high	89.6	Confident	143 Å²	143	80.3 Å²	80.3	62%	0.622	42%	0.419	S	S	*	.	H	α-helix	trans	-63.9	-48.6	177.8	-177.6	-174.6	172.9	-173.1	0	110.7	D249 G250 F254 N255 D256	D249-K252 PolarHBondContact O-N 3.14Å; G250-K252 VanDerWaalsContact C-N 3.35Å; G250-K252 PolarHBondContact O-N 3.15Å; K252-F254 VanDerWaalsContact C-N 3.27Å; K252-F254 PolarHBondContact O-N 3.22Å; K252-N255 PolarHBondContact O-N 3.02Å; K252-N255 VanDerWaalsContact O-N 3.14Å; K252-D256 PolarHBondContact O-N 2.82Å
253	G	90.8	Very high	88.9	Confident	27 Å²	27	84.2 Å²	84.2	28%	0.278	43%	0.434	S	S	.	.	H	α-helix	trans	-57.5	-39.3	179	0	0	0	0	0	112.9	D249 G250 D256 F257	D249-G253 PolarHBondContact O-N 3.16Å; G250-G253 PolarHBondContact O-N 2.71Å; G253-D256 PolarHBondContact O-N 3.12Å; G253-F257 WeakPolarHBondContact O-CB 3.21Å; G253-F257 PolarHBondContact O-N 3.39Å
254	F	90.2	Very high	88.3	Confident	117 Å²	117	86.7 Å²	86.7	51%	0.513	45%	0.447	S	S	.	.	H	α-helix	trans	-66.1	-42.2	176	-177.1	-107.4	0	0	0	112.7	G250 I251 K252 F257 I258	G250-F254 WeakPolarHBondContact O-CB 3.48Å; G250-F254 PolarHBondContact O-N 3.03Å; I251-F254 PolarHBondContact O-N 2.84Å; K252-F254 VanDerWaalsContact C-N 3.27Å; K252-F254 PolarHBondContact O-N 3.22Å; F254-F257 WeakPolarHBondContact O-CB 3.4Å; F254-F257 PolarHBondContact O-N 3.31Å; F254-I258 HydrophobicContact CD1-CD1 3.85Å; F254-I258 HydrophobicContact CE1-CD1 3.28Å; F254-I258 HydrophobicContact CE1-CG1 4.28Å; F254-I258 HydrophobicContact CE2-CD1 4.33Å; F254-I258 HydrophobicContact CZ-CD1 3.57Å; F254-I258 HydrophobicContact CZ-CG1 4.26Å; F254-I258 PolarHBondContact O-N 3.45Å
255	N	90.5	Very high	87.8	Confident	84 Å²	84	87.8 Å²	87.8	45%	0.449	45%	0.447	S	S	.	.	H	α-helix	trans	-64.2	-42.4	175.9	-70.5	-23.7	0	0	0	111.8	I251 K252 F257 I258 C259	I251-N255 PolarHBondContact O-N 2.9Å; I251-N255 VanDerWaalsContact O-N 3.12Å; I251-N255 PolarHBondContact O-ND2 3.42Å; K252-N255 PolarHBondContact O-N 3.02Å; K252-N255 VanDerWaalsContact O-N 3.14Å; N255-F257 VanDerWaalsContact C-N 3.3Å; N255-F257 PolarHBondContact O-N 2.83Å; N255-I258 PolarHBondContact O-N 2.98Å; N255-C259 WeakPolarHBondContact O-CB 2.87Å; N255-C259 PolarHBondContact O-N 3.39Å; N255-C259 PolarHBondContact O-SG 2.59Å
256	D	89.7	Confident	87.3	Confident	82 Å²	82	93.8 Å²	93.8	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-61	-40.8	176.5	-69.7	-18.7	0	0	0	111.1	K252 G253 C259 Q260	K252-D256 PolarHBondContact O-N 2.82Å; G253-D256 PolarHBondContact O-N 3.12Å; D256-C259 PolarHBondContact O-N 2.84Å; D256-Q260 PolarHBondContact O-N 3.48Å
257	F	88.5	Confident	86.7	Confident	108 Å²	108	91.8 Å²	91.8	47%	0.474	47%	0.472	S	S	.	.	H	α-helix	trans	-61	-47.5	175.4	173.6	-97.3	0	0	0	112.6	G253 F254 N255 Q260 H261	G253-F257 WeakPolarHBondContact O-CB 3.21Å; G253-F257 PolarHBondContact O-N 3.39Å; F254-F257 WeakPolarHBondContact O-CB 3.4Å; F254-F257 PolarHBondContact O-N 3.31Å; N255-F257 VanDerWaalsContact C-N 3.3Å; N255-F257 PolarHBondContact O-N 2.83Å; F257-Q260 PolarHBondContact O-N 3.47Å; F257-H261 AromaticContact CD2-CE1 3.86Å; F257-H261 AromaticContact CE2-CE1 3.22Å; F257-H261 WeakPolarHBondContact CE2-CE1 3.21Å; F257-H261 AromaticContact CE2-ND1 3.78Å; F257-H261 AromaticContact CE2-NE2 3.78Å; F257-H261 AromaticContact CZ-CE1 3.51Å; F257-H261 AromaticContact CZ-ND1 3.94Å; F257-H261 AromaticContact CZ-NE2 3.65Å; F257-H261 PolarHBondContact O-N 3.3Å; F257-H261 PolarHBondContact O-ND1 3.37Å
258	I	89.1	Confident	86.2	Confident	65 Å²	65	92.3 Å²	92.3	33%	0.333	47%	0.471	S	S	.	.	H	α-helix	trans	-60.6	-48.1	176.5	-71.8	175.1	0	0	0	110.5	F254 N255 Q260 H261 I262	F254-I258 HydrophobicContact CD1-CD1 3.85Å; F254-I258 HydrophobicContact CE1-CD1 3.28Å; F254-I258 HydrophobicContact CE1-CG1 4.28Å; F254-I258 HydrophobicContact CE2-CD1 4.33Å; F254-I258 HydrophobicContact CZ-CD1 3.57Å; F254-I258 HydrophobicContact CZ-CG1 4.26Å; F254-I258 PolarHBondContact O-N 3.45Å; N255-I258 PolarHBondContact O-N 2.98Å; I258-Q260 VanDerWaalsContact C-N 3.32Å; I258-Q260 PolarHBondContact O-N 3.46Å; I258-H261 PolarHBondContact O-N 2.94Å; I258-H261 VanDerWaalsContact O-N 3.12Å; I258-I262 HydrophobicContact CG2-CD1 3.58Å; I258-I262 HydrophobicContact CG2-CG1 4.2Å; I258-I262 WeakPolarHBondContact O-CG1 3.33Å; I258-I262 PolarHBondContact O-N 2.93Å
259	C	87.3	Confident	85.7	Confident	72 Å²	72	92.4 Å²	92.4	49%	0.486	47%	0.465	S	S	.	.	H	α-helix	trans	-58.4	-42.6	-179.3	-74.8	0	0	0	0	112.1	N255 D256 H261 I262 L263	N255-C259 WeakPolarHBondContact O-CB 2.87Å; N255-C259 PolarHBondContact O-N 3.39Å; N255-C259 PolarHBondContact O-SG 2.59Å; D256-C259 PolarHBondContact O-N 2.84Å; C259-H261 PolarHBondContact O-N 3.45Å; C259-I262 PolarHBondContact O-N 3.45Å; C259-L263 WeakPolarHBondContact O-CB 3.15Å; C259-L263 WeakPolarHBondContact O-CG 3.39Å; C259-L263 PolarHBondContact O-N 3.32Å
260	Q	84.1	Confident	85.2	Confident	128 Å²	128	97.7 Å²	97.7	60%	0.598	49%	0.487	S	S	*	.	H	α-helix	trans	-62.4	-40.4	175.7	-77.9	-177.5	-2.9	0	0	112.6	D256 F257 I258 L263 L264	D256-Q260 PolarHBondContact O-N 3.48Å; F257-Q260 PolarHBondContact O-N 3.47Å; I258-Q260 VanDerWaalsContact C-N 3.32Å; I258-Q260 PolarHBondContact O-N 3.46Å; Q260-L263 PolarHBondContact O-N 3.3Å; Q260-L264 WeakPolarHBondContact O-CB 3.49Å; Q260-L264 WeakPolarHBondContact O-CG 3.46Å; Q260-L264 PolarHBondContact O-N 2.8Å
261	H	81.5	Confident	84.8	Confident	100 Å²	100	102.2 Å²	102.2	46%	0.463	50%	0.5	S	S	.	.	H	α-helix	trans	-71.1	-37.9	179.6	-80.1	55.9	0	0	0	112.5	F257 I258 C259 L264 F265	F257-H261 AromaticContact CD2-CE1 3.86Å; F257-H261 AromaticContact CE2-CE1 3.22Å; F257-H261 WeakPolarHBondContact CE2-CE1 3.21Å; F257-H261 AromaticContact CE2-ND1 3.78Å; F257-H261 AromaticContact CE2-NE2 3.78Å; F257-H261 AromaticContact CZ-CE1 3.51Å; F257-H261 AromaticContact CZ-ND1 3.94Å; F257-H261 AromaticContact CZ-NE2 3.65Å; F257-H261 PolarHBondContact O-N 3.3Å; F257-H261 PolarHBondContact O-ND1 3.37Å; I258-H261 PolarHBondContact O-N 2.94Å; I258-H261 VanDerWaalsContact O-N 3.12Å; C259-H261 PolarHBondContact O-N 3.45Å; H261-L264 PolarHBondContact O-N 2.94Å; H261-F265 WeakPolarHBondContact O-CB 3.39Å; H261-F265 PolarHBondContact O-N 3.34Å
262	I	82.6	Confident	84.5	Confident	87 Å²	87	102.1 Å²	102.1	45%	0.446	50%	0.5	S	S	.	.	H	α-helix	trans	-63.1	-44.3	172.9	-68.6	174.9	0	0	0	110.4	I258 C259 L264 F265 F266	I258-I262 HydrophobicContact CG2-CD1 3.58Å; I258-I262 HydrophobicContact CG2-CG1 4.2Å; I258-I262 WeakPolarHBondContact O-CG1 3.33Å; I258-I262 PolarHBondContact O-N 2.93Å; C259-I262 PolarHBondContact O-N 3.45Å; I262-L264 PolarHBondContact O-N 3.45Å; I262-F265 WeakPolarHBondContact O-CB 3.48Å; I262-F265 PolarHBondContact O-N 3.18Å; I262-F266 HydrophobicContact CG2-CD2 3.58Å; I262-F266 HydrophobicContact CG2-CE2 3.47Å; I262-F266 VanDerWaalsContact CG2-CE2 3.47Å; I262-F266 VanDerWaalsContact O-CD2 3.26Å; I262-F266 WeakPolarHBondContact O-CD2 3.49Å; I262-F266 PolarHBondContact O-N 2.82Å
263	L	77	Confident	83.9	Confident	120 Å²	120	102.5 Å²	102.5	63%	0.628	50%	0.499	S	S	*	.	H	α-helix	trans	-61.9	-42.7	177	-78.4	164.5	0	0	0	112.4	C259 Q260 F265 F266 S267	C259-L263 WeakPolarHBondContact O-CB 3.15Å; C259-L263 WeakPolarHBondContact O-CG 3.39Å; C259-L263 PolarHBondContact O-N 3.32Å; Q260-L263 PolarHBondContact O-N 3.3Å; L263-F265 VanDerWaalsContact C-N 3.33Å; L263-F266 PolarHBondContact O-N 2.76Å; L263-S267 WeakPolarHBondContact O-CB 3.45Å; L263-S267 PolarHBondContact O-N 3.25Å; L263-S267 PolarHBondContact O-OG 3.46Å
264	L	79.7	Confident	83.4	Confident	111 Å²	111	104.2 Å²	104.2	58%	0.581	51%	0.507	S	S	*	.	H	α-helix	trans	-62.1	-40.5	174.7	-76.3	166.7	0	0	0	111.8	Q260 H261 I262 S267 Y268	Q260-L264 WeakPolarHBondContact O-CB 3.49Å; Q260-L264 WeakPolarHBondContact O-CG 3.46Å; Q260-L264 PolarHBondContact O-N 2.8Å; H261-L264 PolarHBondContact O-N 2.94Å; I262-L264 PolarHBondContact O-N 3.45Å; L264-S267 WeakPolarHBondContact CA-OG 3.39Å; L264-S267 PolarHBondContact O-N 3.25Å; L264-S267 PolarHBondContact O-OG 3.45Å; L264-Y268 WeakPolarHBondContact O-CB 3.36Å; L264-Y268 PolarHBondContact O-N 3.08Å
265	F	82.5	Confident	82.6	Confident	127 Å²	127	107.2 Å²	107.2	56%	0.557	52%	0.516	S	S	*	.	H	α-helix	trans	-63.7	-46.5	176.5	-177.4	-100.9	0	0	0	112.1	H261 I262 L263 Y268 L269	H261-F265 WeakPolarHBondContact O-CB 3.39Å; H261-F265 PolarHBondContact O-N 3.34Å; I262-F265 WeakPolarHBondContact O-CB 3.48Å; I262-F265 PolarHBondContact O-N 3.18Å; L263-F265 VanDerWaalsContact C-N 3.33Å; F265-Y268 PolarHBondContact O-N 3.48Å; F265-L269 HydrophobicContact CD1-CD1 3.82Å; F265-L269 HydrophobicContact CE1-CD1 3.21Å; F265-L269 HydrophobicContact CE2-CD1 4.21Å; F265-L269 HydrophobicContact CZ-CD1 3.44Å; F265-L269 VanDerWaalsContact CZ-CD1 3.44Å; F265-L269 PolarHBondContact O-N 3.14Å
266	F	81.9	Confident	81.6	Confident	131 Å²	131	107.6 Å²	107.6	58%	0.575	53%	0.525	S	S	*	.	H	α-helix	trans	-66.4	-38.1	177.5	-81.5	-67.5	0	0	0	113.1	I262 L263 L269 F270	I262-F266 HydrophobicContact CG2-CD2 3.58Å; I262-F266 HydrophobicContact CG2-CE2 3.47Å; I262-F266 VanDerWaalsContact CG2-CE2 3.47Å; I262-F266 VanDerWaalsContact O-CD2 3.26Å; I262-F266 WeakPolarHBondContact O-CD2 3.49Å; I262-F266 PolarHBondContact O-N 2.82Å; L263-F266 PolarHBondContact O-N 2.76Å; F266-L269 PolarHBondContact O-N 3.3Å; F266-F270 WeakPolarHBondContact O-CB 3.32Å; F266-F270 PolarHBondContact O-N 3.09Å
267	S	80.3	Confident	80	Confident	69 Å²	69	113.3 Å²	113.3	48%	0.483	55%	0.549	S	S	.	.	H	α-helix	trans	-68	-35.4	176.5	39.5	0	0	0	0	112.3	L263 L264 F270 F271	L263-S267 WeakPolarHBondContact O-CB 3.45Å; L263-S267 PolarHBondContact O-N 3.25Å; L263-S267 PolarHBondContact O-OG 3.46Å; L264-S267 WeakPolarHBondContact CA-OG 3.39Å; L264-S267 PolarHBondContact O-N 3.25Å; L264-S267 PolarHBondContact O-OG 3.45Å; S267-F270 PolarHBondContact O-N 2.68Å; S267-F271 WeakPolarHBondContact O-CB 3.28Å; S267-F271 PolarHBondContact O-N 2.99Å
268	Y	81	Confident	79.6	Confident	149 Å²	149	113.6 Å²	113.6	58%	0.584	55%	0.553	S	S	*	*	H	α-helix	trans	-64.2	-44	170.1	-174.8	-103.3	0	0	0	112.4	L264 F265 F270 F271 L272	L264-Y268 WeakPolarHBondContact O-CB 3.36Å; L264-Y268 PolarHBondContact O-N 3.08Å; F265-Y268 PolarHBondContact O-N 3.48Å; Y268-F270 PolarHBondContact O-N 2.72Å; Y268-F271 PolarHBondContact O-N 3.26Å; Y268-L272 HydrophobicContact CD1-CD1 3.91Å; Y268-L272 HydrophobicContact CD1-CG 4.48Å; Y268-L272 HydrophobicContact CE1-CD1 3.45Å; Y268-L272 VanDerWaalsContact CE1-CD1 3.45Å; Y268-L272 HydrophobicContact CE1-CG 4.14Å; Y268-L272 WeakPolarHBondContact O-CG 3.36Å; Y268-L272 PolarHBondContact O-N 2.97Å
269	L	81.5	Confident	79.1	Confident	75 Å²	75	116.2 Å²	116.2	39%	0.393	56%	0.564	S	S	.	*	H	α-helix	trans	-61.2	-42.5	175.4	-114.9	135.4	0	0	0	112.3	F265 F266 L272 Y273	F265-L269 HydrophobicContact CD1-CD1 3.82Å; F265-L269 HydrophobicContact CE1-CD1 3.21Å; F265-L269 HydrophobicContact CE2-CD1 4.21Å; F265-L269 HydrophobicContact CZ-CD1 3.44Å; F265-L269 VanDerWaalsContact CZ-CD1 3.44Å; F265-L269 PolarHBondContact O-N 3.14Å; F266-L269 PolarHBondContact O-N 3.3Å; L269-L272 PolarHBondContact O-N 3.48Å; L269-Y273 WeakPolarHBondContact O-CB 3.5Å; L269-Y273 PolarHBondContact O-N 3.18Å
270	F	80.1	Confident	78.7	Confident	153 Å²	153	118.6 Å²	118.6	67%	0.671	57%	0.569	S	S	*	*	H	α-helix	trans	-65.9	-37.9	177.4	-160.1	-89.1	0	0	0	111.9	F266 S267 Y268 Y273 S274	F266-F270 WeakPolarHBondContact O-CB 3.32Å; F266-F270 PolarHBondContact O-N 3.09Å; S267-F270 PolarHBondContact O-N 2.68Å; Y268-F270 PolarHBondContact O-N 2.72Å; F270-Y273 PolarHBondContact O-N 3.14Å; F270-S274 WeakPolarHBondContact O-CB 3.42Å; F270-S274 PolarHBondContact O-N 3.44Å; F270-S274 PolarHBondContact O-OG 2.99Å
271	F	82.5	Confident	78.4	Confident	117 Å²	117	118.1 Å²	118.1	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-62.2	-45.7	173.9	-175	-93.2	0	0	0	111.7	S267 Y268 Y273 S274 Y275	S267-F271 WeakPolarHBondContact O-CB 3.28Å; S267-F271 PolarHBondContact O-N 2.99Å; Y268-F271 PolarHBondContact O-N 3.26Å; F271-Y273 VanDerWaalsContact C-N 3.34Å; F271-Y273 PolarHBondContact O-N 3.32Å; F271-S274 PolarHBondContact O-N 3Å; F271-Y275 HydrophobicContact CD1-CD2 4.24Å; F271-Y275 HydrophobicContact CD1-CE2 4.48Å; F271-Y275 HydrophobicContact CD2-CD2 4.45Å; F271-Y275 HydrophobicContact CD2-CE2 4.21Å; F271-Y275 AromaticContact CE1-CD2 3.88Å; F271-Y275 HydrophobicContact CE1-CD2 3.88Å; F271-Y275 AromaticContact CE1-CE2 3.82Å; F271-Y275 HydrophobicContact CE1-CE2 3.82Å; F271-Y275 HydrophobicContact CE2-CD2 4.13Å; F271-Y275 AromaticContact CE2-CE2 3.51Å; F271-Y275 HydrophobicContact CE2-CE2 3.51Å; F271-Y275 AromaticContact CZ-CD2 3.83Å; F271-Y275 HydrophobicContact CZ-CD2 3.83Å; F271-Y275 AromaticContact CZ-CE2 3.27Å; F271-Y275 HydrophobicContact CZ-CE2 3.27Å; F271-Y275 PolarHBondContact O-N 3.3Å
272	L	83.2	Confident	78.2	Confident	80 Å²	80	119.2 Å²	119.2	42%	0.419	57%	0.573	S	S	.	*	H	α-helix	trans	-62	-40.7	174.6	-70.9	175.9	0	0	0	112.3	Y268 L269 S274 Y275 S276	Y268-L272 HydrophobicContact CD1-CD1 3.91Å; Y268-L272 HydrophobicContact CD1-CG 4.48Å; Y268-L272 HydrophobicContact CE1-CD1 3.45Å; Y268-L272 VanDerWaalsContact CE1-CD1 3.45Å; Y268-L272 HydrophobicContact CE1-CG 4.14Å; Y268-L272 WeakPolarHBondContact O-CG 3.36Å; Y268-L272 PolarHBondContact O-N 2.97Å; L269-L272 PolarHBondContact O-N 3.48Å; L272-S274 VanDerWaalsContact C-N 3.35Å; L272-Y275 PolarHBondContact O-N 3.07Å; L272-S276 PolarHBondContact O-N 3.31Å; L272-S276 PolarHBondContact O-OG 3.4Å
273	Y	78.8	Confident	77.9	Confident	150 Å²	150	121.3 Å²	121.3	59%	0.588	58%	0.582	S	S	*	*	H	α-helix	trans	-65.7	-38	178.4	-135	-86.1	0	0	0	112	L269 F270 F271 Y275 S276 H277	L269-Y273 WeakPolarHBondContact O-CB 3.5Å; L269-Y273 PolarHBondContact O-N 3.18Å; F270-Y273 PolarHBondContact O-N 3.14Å; F271-Y273 VanDerWaalsContact C-N 3.34Å; F271-Y273 PolarHBondContact O-N 3.32Å; Y273-Y275 VanDerWaalsContact C-N 3.33Å; Y273-Y275 PolarHBondContact O-N 2.89Å; Y273-S276 PolarHBondContact O-N 3.18Å; Y273-H277 AromaticContact CD1-NE2 3.98Å; Y273-H277 AromaticContact CE1-NE2 3.56Å
274	S	79.9	Confident	77.9	Confident	64 Å²	64	121.4 Å²	121.4	45%	0.448	58%	0.578	S	S	.	*	H	α-helix	trans	-72.9	-21.1	-179.5	-55.1	0	0	0	0	113.9	F270 F271 L272	F270-S274 WeakPolarHBondContact O-CB 3.42Å; F270-S274 PolarHBondContact O-N 3.44Å; F270-S274 PolarHBondContact O-OG 2.99Å; F271-S274 PolarHBondContact O-N 3Å; L272-S274 VanDerWaalsContact C-N 3.35Å
275	Y	73.6	Confident	77.8	Confident	179 Å²	179	122.2 Å²	122.2	70%	0.702	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-6.8	173.6	-91.9	-90.6	0	0	0	113.6	F271 L272 Y273	F271-Y275 HydrophobicContact CD1-CD2 4.24Å; F271-Y275 HydrophobicContact CD1-CE2 4.48Å; F271-Y275 HydrophobicContact CD2-CD2 4.45Å; F271-Y275 HydrophobicContact CD2-CE2 4.21Å; F271-Y275 AromaticContact CE1-CD2 3.88Å; F271-Y275 HydrophobicContact CE1-CD2 3.88Å; F271-Y275 AromaticContact CE1-CE2 3.82Å; F271-Y275 HydrophobicContact CE1-CE2 3.82Å; F271-Y275 HydrophobicContact CE2-CD2 4.13Å; F271-Y275 AromaticContact CE2-CE2 3.51Å; F271-Y275 HydrophobicContact CE2-CE2 3.51Å; F271-Y275 AromaticContact CZ-CD2 3.83Å; F271-Y275 HydrophobicContact CZ-CD2 3.83Å; F271-Y275 AromaticContact CZ-CE2 3.27Å; F271-Y275 HydrophobicContact CZ-CE2 3.27Å; F271-Y275 PolarHBondContact O-N 3.3Å; L272-Y275 PolarHBondContact O-N 3.07Å; Y273-Y275 VanDerWaalsContact C-N 3.33Å; Y273-Y275 PolarHBondContact O-N 2.89Å
276	S	68.3	Low	77.4	Confident	93 Å²	93	121.8 Å²	121.8	65%	0.65	58%	0.58	S	S	*	*			trans	-97.4	2.9	-178.6	-55.3	0	0	0	0	113.1	L272 Y273	L272-S276 PolarHBondContact O-N 3.31Å; L272-S276 PolarHBondContact O-OG 3.4Å; Y273-S276 PolarHBondContact O-N 3.18Å
277	H	57.7	Low	77	Confident	202 Å²	202	121 Å²	121	94%	0.935	58%	0.581	S	S	*	*			trans	-130.7	0	178.7	-72.3	-38.5	0	0	0	110.4	Y273	Y273-H277 AromaticContact CD1-NE2 3.98Å; Y273-H277 AromaticContact CE1-NE2 3.56Å

Retrieved 277 of 277 residues in 69.9 ms (Link to these results)

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