A0A096MF65_POEFO Loading...

ARVCF delta catenin family member b

AlphaFold DB , UniProt , Accession A0A096MF65, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 975 aa.

						>A0A096MF65_POEFO|A0A096MF65
MEDYDVRSAASILASVKEQEERFEQLTRALEEERRNVTLQLERANLPPNPAISQPLAWQQVVMQEQSPSNATSLAMMQEPQEVVEETVTIEEDPGTPTSHVSVVTSDDGTTRRTETKVTKMVKTVTTRTVRQVPLGPDGLPLPEGSSPLSSYTDSIDRRYMKNGGERFITPQATSTLTRAYNNSYNDSYVETPESQYIRHYGLHDGYTDLTDNYGSLSRGVNFRPPRYPYMPNSYRPENSYTLPIRKDDYGHVAQPQVPMGSSTVDLNRSQPERFQPEPYGLEDDRRSLGPEEEEPYELEPDYSTANRRTLPGTNRGRTHREPLRDVHRVRGYPDDPIEAELIDERHPYIHGMYSAPLAQPERGSMASLDRMAGRRSPSIDSIRKDPRWRDPDLPEVIAMLGHPIDPVKSNAAAYLQHLCYENDKIKKDVRQLKGIPVLVSLLDHPKSEVHRKACGALRNISYGKDNENKVAIKNCDGIPALIRLLRKTNDMEVRELITGTLWNLSSYEPLKMVIINHGLQTMTNEVIIPHSGWEHEPNEDSKPRDAEWTTVFKNTSGCLRNVSSDGAEARRRLRECAGLVDALLHALQSAVGKKDMDNKSVENCVCIMRNLSYHVHKEVPGAERFQDPSALQAPGSAGPQRKKKDDAGCFGGKKAKEEWFNQGRKNGENDKNYDTLDLPKRTEPSKGFELLYQPEVVRLYLSLLTESQNYNTLEAAAGALQNLSAGQWTWSNYIRATVRKEKGLPILVELLRSDSDKVVRAVAIALRNLSIDRRNKDLIGSYAMRDLVSNLPSGQQRPAKNLEEDTVVAILNTIHEIVTDSSENARSLIQAQAIEKLVAINRTSQSARETKAASHVLQTVWSYKELRNALTKDGWNKSHFQPTVTATPKATKNGKPGYDDTTLPLMEKNQDGYSTIDQRDKDCKYKTDDGSADLTEREPLKNDTNRKHYIRSNRPAVSLVDACDVKPQPVDSWV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.8	Very low	51.7	Low	221 Å²	221	125.7 Å²	125.7	100%	1.089	66%	0.657	S	S	*	*				0	41.2	0	-171.8	170.4	171.3	0	0	108.5
2	E	41.8	Very low	53.2	Low	157 Å²	157	123.8 Å²	123.8	73%	0.734	65%	0.646	S	S	*	*			trans	-118.8	-26.5	-160.9	-69.1	158.2	141.1	0	0	111.6	Y4	E2-Y4 PolarHBondContact O-N 2.72Å; E2-Y4 VanDerWaalsContact O-N 3.1Å
3	D	42.7	Very low	54.8	Low	127 Å²	127	123.8 Å²	123.8	68%	0.679	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-10.8	-179.8	-51	-84.4	0	0	0	115.4
4	Y	40.8	Very low	56.3	Low	206 Å²	206	119.4 Å²	119.4	81%	0.808	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-37	-177.6	-117.2	-88.5	0	0	0	113.1	E2	E2-Y4 PolarHBondContact O-N 2.72Å; E2-Y4 VanDerWaalsContact O-N 3.1Å
5	D	49.6	Very low	57.6	Low	123 Å²	123	115.3 Å²	115.3	66%	0.658	62%	0.621	S	S	*	*	H	α-helix	trans	-72.1	-38.4	-179.8	-101.4	-38.2	0	0	0	112.3	R7 S8 A9	D5-R7 PolarHBondContact O-N 2.92Å; D5-S8 WeakPolarHBondContact O-CB 3.02Å; D5-S8 PolarHBondContact O-N 3.17Å; D5-A9 PolarHBondContact O-N 3.2Å
6	V	49.8	Very low	59	Low	105 Å²	105	111.9 Å²	111.9	64%	0.636	61%	0.606	S	S	*	*	H	α-helix	trans	-58.7	-34.9	-179.6	-176.6	0	0	0	0	111.5	A10	V6-A10 WeakPolarHBondContact O-CB 3.45Å; V6-A10 PolarHBondContact O-N 3.1Å; V6-A10 VanDerWaalsContact O-N 3.09Å
7	R	52.1	Low	60.4	Low	193 Å²	193	113.7 Å²	113.7	73%	0.728	61%	0.606	S	S	*	*	H	α-helix	trans	-71.8	-33.5	176.6	-65.5	-178.3	-179.1	-166.6	-0.6	112.7	D5 S11	D5-R7 PolarHBondContact O-N 2.92Å; R7-S11 WeakPolarHBondContact O-CB 3.31Å; R7-S11 PolarHBondContact O-N 2.68Å; R7-S11 VanDerWaalsContact O-N 3.17Å
8	S	57.7	Low	61.7	Low	61 Å²	61	112.6 Å²	112.6	43%	0.427	60%	0.597	S	S	.	*	H	α-helix	trans	-66.3	-52.1	174.8	-171	0	0	0	0	110.9	D5 A10 S11 I12	D5-S8 WeakPolarHBondContact O-CB 3.02Å; D5-S8 PolarHBondContact O-N 3.17Å; S8-A10 VanDerWaalsContact C-N 3.35Å; S8-A10 PolarHBondContact O-N 2.99Å; S8-S11 WeakPolarHBondContact O-CB 3.49Å; S8-S11 PolarHBondContact O-N 3.25Å; S8-S11 VanDerWaalsContact O-N 3.14Å; S8-I12 WeakPolarHBondContact O-CG1 3.48Å; S8-I12 PolarHBondContact O-N 3.05Å
9	A	59.3	Low	62.5	Low	52 Å²	52	113.1 Å²	113.1	43%	0.43	60%	0.595	S	S	.	*	H	α-helix	trans	-60.1	-41.5	178.9	0	0	0	0	0	112.7	D5 S11 I12 L13	D5-A9 PolarHBondContact O-N 3.2Å; A9-S11 PolarHBondContact O-N 3.49Å; A9-I12 PolarHBondContact O-N 3.11Å; A9-L13 WeakPolarHBondContact O-CG 3.35Å; A9-L13 PolarHBondContact O-N 3.37Å
10	A	66.9	Low	63.6	Low	57 Å²	57	113.7 Å²	113.7	47%	0.471	60%	0.595	S	S	.	*	H	α-helix	trans	-63.3	-38.7	175.9	0	0	0	0	0	112.9	V6 S8 A14	V6-A10 WeakPolarHBondContact O-CB 3.45Å; V6-A10 PolarHBondContact O-N 3.1Å; V6-A10 VanDerWaalsContact O-N 3.09Å; S8-A10 VanDerWaalsContact C-N 3.35Å; S8-A10 PolarHBondContact O-N 2.99Å; A10-A14 WeakPolarHBondContact O-CB 3.28Å; A10-A14 PolarHBondContact O-N 2.89Å
11	S	65.6	Low	64.6	Low	81 Å²	81	113.5 Å²	113.5	57%	0.566	59%	0.591	S	S	*	*	H	α-helix	trans	-66.7	-40.2	176.5	-166.7	0	0	0	0	112.2	R7 S8 A9 A14 S15	R7-S11 WeakPolarHBondContact O-CB 3.31Å; R7-S11 PolarHBondContact O-N 2.68Å; R7-S11 VanDerWaalsContact O-N 3.17Å; S8-S11 WeakPolarHBondContact O-CB 3.49Å; S8-S11 PolarHBondContact O-N 3.25Å; S8-S11 VanDerWaalsContact O-N 3.14Å; A9-S11 PolarHBondContact O-N 3.49Å; S11-A14 PolarHBondContact O-N 2.93Å; S11-S15 PolarHBondContact O-N 2.89Å
12	I	69.1	Low	66.3	Low	103 Å²	103	109.9 Å²	109.9	53%	0.528	57%	0.565	S	S	.	*	H	α-helix	trans	-65	-45.9	176.2	-66.1	165.9	0	0	0	110.6	S8 A9 A14 S15 V16	S8-I12 WeakPolarHBondContact O-CG1 3.48Å; S8-I12 PolarHBondContact O-N 3.05Å; A9-I12 PolarHBondContact O-N 3.11Å; I12-A14 VanDerWaalsContact C-N 3.32Å; I12-A14 PolarHBondContact O-N 3.43Å; I12-S15 PolarHBondContact O-N 2.78Å; I12-V16 HydrophobicContact CG2-CG2 4.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.44Å; I12-V16 PolarHBondContact O-N 2.81Å
13	L	74.1	Confident	68.4	Low	124 Å²	124	109.3 Å²	109.3	65%	0.649	56%	0.561	S	S	*	*	H	α-helix	trans	-63.7	-35.7	177.3	-72	169.7	0	0	0	112.7	A9 K17	A9-L13 WeakPolarHBondContact O-CG 3.35Å; A9-L13 PolarHBondContact O-N 3.37Å; L13-K17 WeakPolarHBondContact O-CB 3.31Å; L13-K17 PolarHBondContact O-N 3.03Å; L13-K17 VanDerWaalsContact O-N 3.09Å
14	A	76.3	Confident	70.4	Confident	61 Å²	61	108.5 Å²	108.5	50%	0.504	55%	0.553	S	S	.	*	H	α-helix	trans	-64.1	-44.2	172.3	0	0	0	0	0	111.8	A10 S11 I12 K17 E18	A10-A14 WeakPolarHBondContact O-CB 3.28Å; A10-A14 PolarHBondContact O-N 2.89Å; S11-A14 PolarHBondContact O-N 2.93Å; I12-A14 VanDerWaalsContact C-N 3.32Å; I12-A14 PolarHBondContact O-N 3.43Å; A14-K17 PolarHBondContact O-N 2.88Å; A14-E18 PolarHBondContact O-N 2.59Å
15	S	75	Confident	72.4	Confident	58 Å²	58	103.2 Å²	103.2	41%	0.406	54%	0.535	S	S	.	.	H	α-helix	trans	-65.7	-40.6	178.4	-173.8	0	0	0	0	113	S11 I12 E18 Q19	S11-S15 PolarHBondContact O-N 2.89Å; I12-S15 PolarHBondContact O-N 2.78Å; S15-E18 PolarHBondContact O-N 2.9Å; S15-Q19 WeakPolarHBondContact O-CG 3.49Å; S15-Q19 PolarHBondContact O-N 3.47Å
16	V	80.4	Confident	73.9	Confident	62 Å²	62	103.3 Å²	103.3	38%	0.376	54%	0.535	S	S	.	.	H	α-helix	trans	-61.2	-45.6	173.6	170.9	0	0	0	0	110.5	I12 E18 Q19 E20	I12-V16 HydrophobicContact CG2-CG2 4.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.44Å; I12-V16 PolarHBondContact O-N 2.81Å; V16-E18 VanDerWaalsContact C-N 3.33Å; V16-E18 PolarHBondContact O-N 3.15Å; V16-Q19 CarbonylContact O-C 3.6Å; V16-Q19 WeakPolarHBondContact O-CA 3.47Å; V16-Q19 WeakPolarHBondContact O-CB 3.39Å; V16-Q19 PolarHBondContact O-N 3Å; V16-E20 HydrophobicContact CG1-CG 4.4Å; V16-E20 WeakPolarHBondContact O-CG 3.42Å; V16-E20 PolarHBondContact O-N 3.17Å
17	K	83.1	Confident	75.6	Confident	142 Å²	142	101.1 Å²	101.1	62%	0.617	52%	0.522	S	S	*	.	H	α-helix	trans	-63.5	-36.9	178.6	-168.6	178	-179.7	-175.4	0	113	L13 A14 Q19 E20 E21	L13-K17 WeakPolarHBondContact O-CB 3.31Å; L13-K17 PolarHBondContact O-N 3.03Å; L13-K17 VanDerWaalsContact O-N 3.09Å; A14-K17 PolarHBondContact O-N 2.88Å; K17-Q19 VanDerWaalsContact C-N 3.31Å; K17-E20 PolarHBondContact O-N 3.04Å; K17-E21 PolarHBondContact O-N 2.93Å
18	E	83.3	Confident	77.3	Confident	93 Å²	93	98.4 Å²	98.4	44%	0.435	51%	0.512	S	S	.	.	H	α-helix	trans	-65.8	-33.4	173.2	-170.2	-172.6	153.1	0	0	112	A14 S15 V16 R22	A14-E18 PolarHBondContact O-N 2.59Å; S15-E18 PolarHBondContact O-N 2.9Å; V16-E18 VanDerWaalsContact C-N 3.33Å; V16-E18 PolarHBondContact O-N 3.15Å; E18-R22 WeakPolarHBondContact O-CB 3.32Å; E18-R22 VanDerWaalsContact O-CG 3.31Å; E18-R22 WeakPolarHBondContact O-CG 3.33Å; E18-R22 PolarHBondContact O-N 3.06Å; E18-R22 VanDerWaalsContact O-N 3.16Å; E18-R22 IonicContact OE1-CZ 2.76Å; E18-R22 IonicContact OE1-NH1 3.47Å; E18-R22 PolarHBondContact OE1-NH1 2.87Å; E18-R22 IonicContact OE1-NH2 2.72Å; E18-R22 PolarHBondContact OE1-NH2 2.65Å
19	Q	77.1	Confident	78.6	Confident	122 Å²	122	98.1 Å²	98.1	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-72.6	-40.3	173.3	-72.2	179.2	-14	0	0	112.4	S15 V16 K17 R22 F23	S15-Q19 WeakPolarHBondContact O-CG 3.49Å; S15-Q19 PolarHBondContact O-N 3.47Å; V16-Q19 CarbonylContact O-C 3.6Å; V16-Q19 WeakPolarHBondContact O-CA 3.47Å; V16-Q19 WeakPolarHBondContact O-CB 3.39Å; V16-Q19 PolarHBondContact O-N 3Å; K17-Q19 VanDerWaalsContact C-N 3.31Å; Q19-R22 PolarHBondContact O-N 2.94Å; Q19-F23 WeakPolarHBondContact O-CB 3.18Å; Q19-F23 PolarHBondContact O-N 3.11Å
20	E	83.9	Confident	79.7	Confident	125 Å²	125	101.5 Å²	101.5	58%	0.584	52%	0.523	S	S	*	.	H	α-helix	trans	-60.9	-46.3	173.9	-71.2	175	152.2	0	0	111.4	V16 K17 R22 F23 E24	V16-E20 HydrophobicContact CG1-CG 4.4Å; V16-E20 WeakPolarHBondContact O-CG 3.42Å; V16-E20 PolarHBondContact O-N 3.17Å; K17-E20 PolarHBondContact O-N 3.04Å; E20-R22 PolarHBondContact O-N 3.29Å; E20-F23 PolarHBondContact O-N 3.25Å; E20-E24 PolarHBondContact O-N 2.91Å
21	E	85.7	Confident	80.6	Confident	111 Å²	111	103 Å²	103	52%	0.519	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-40.3	178	-169.9	176.7	168.2	0	0	111.8	K17 E24 Q25	K17-E21 PolarHBondContact O-N 2.93Å; E21-E24 PolarHBondContact O-N 3.49Å; E21-Q25 VanDerWaalsContact O-CG 3.29Å; E21-Q25 WeakPolarHBondContact O-CG 3.45Å; E21-Q25 PolarHBondContact O-N 3.27Å
22	R	77.8	Confident	81.5	Confident	145 Å²	145	105.2 Å²	105.2	55%	0.547	52%	0.522	S	S	.	.	H	α-helix	trans	-64.3	-39.9	172.9	-78.4	176.8	173.7	140.3	11.5	112.7	E18 Q19 E20 Q25 L26	E18-R22 WeakPolarHBondContact O-CB 3.32Å; E18-R22 VanDerWaalsContact O-CG 3.31Å; E18-R22 WeakPolarHBondContact O-CG 3.33Å; E18-R22 PolarHBondContact O-N 3.06Å; E18-R22 VanDerWaalsContact O-N 3.16Å; E18-R22 IonicContact OE1-CZ 2.76Å; E18-R22 IonicContact OE1-NH1 3.47Å; E18-R22 PolarHBondContact OE1-NH1 2.87Å; E18-R22 IonicContact OE1-NH2 2.72Å; E18-R22 PolarHBondContact OE1-NH2 2.65Å; Q19-R22 PolarHBondContact O-N 2.94Å; E20-R22 PolarHBondContact O-N 3.29Å; R22-Q25 PolarHBondContact O-N 3.32Å; R22-L26 WeakPolarHBondContact O-CB 3.16Å; R22-L26 PolarHBondContact O-N 3.1Å
23	F	86.4	Confident	82.2	Confident	145 Å²	145	105.5 Å²	105.5	64%	0.636	52%	0.521	S	S	*	.	H	α-helix	trans	-66.1	-39.9	177.5	-174.2	-94	0	0	0	111.7	Q19 E20 L26 T27	Q19-F23 WeakPolarHBondContact O-CB 3.18Å; Q19-F23 PolarHBondContact O-N 3.11Å; E20-F23 PolarHBondContact O-N 3.25Å; F23-L26 PolarHBondContact O-N 2.73Å; F23-T27 WeakPolarHBondContact O-CB 3.38Å; F23-T27 PolarHBondContact O-N 3.01Å; F23-T27 PolarHBondContact O-OG1 3.26Å
24	E	84.1	Confident	82.6	Confident	109 Å²	109	108 Å²	108	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-67.4	-39	175.5	-160.4	-166	-123.8	0	0	112	E20 E21 T27 R28	E20-E24 PolarHBondContact O-N 2.91Å; E21-E24 PolarHBondContact O-N 3.49Å; E24-T27 PolarHBondContact O-N 3.22Å; E24-R28 WeakPolarHBondContact O-CB 3.29Å; E24-R28 WeakPolarHBondContact O-CG 3.37Å; E24-R28 PolarHBondContact O-N 3.1Å; E24-R28 IonicContact OE2-CZ 3.51Å; E24-R28 IonicContact OE2-NE 3.86Å; E24-R28 IonicContact OE2-NH2 2.92Å; E24-R28 PolarHBondContact OE2-NH2 2.89Å
25	Q	84	Confident	82.8	Confident	96 Å²	96	112.4 Å²	112.4	45%	0.449	53%	0.525	S	S	.	.	H	α-helix	trans	-61.7	-45.3	172	-72.1	174.2	22.3	0	0	111.8	E21 R22 T27 R28 A29	E21-Q25 VanDerWaalsContact O-CG 3.29Å; E21-Q25 WeakPolarHBondContact O-CG 3.45Å; E21-Q25 PolarHBondContact O-N 3.27Å; R22-Q25 PolarHBondContact O-N 3.32Å; Q25-T27 VanDerWaalsContact C-N 3.35Å; Q25-T27 PolarHBondContact O-N 3.28Å; Q25-R28 PolarHBondContact O-N 3.17Å; Q25-A29 PolarHBondContact O-N 3.13Å
26	L	80.6	Confident	83	Confident	124 Å²	124	113.6 Å²	113.6	65%	0.649	53%	0.527	S	S	*	.	H	α-helix	trans	-63.8	-40.4	177.6	-156	81.7	0	0	0	111.8	R22 F23 A29 L30	R22-L26 WeakPolarHBondContact O-CB 3.16Å; R22-L26 PolarHBondContact O-N 3.1Å; F23-L26 PolarHBondContact O-N 2.73Å; L26-A29 PolarHBondContact O-N 3.25Å; L26-L30 WeakPolarHBondContact O-CB 3.35Å; L26-L30 PolarHBondContact O-N 3.47Å
27	T	85.2	Confident	82.9	Confident	60 Å²	60	113.4 Å²	113.4	37%	0.368	53%	0.526	S	S	.	.	H	α-helix	trans	-64	-43.3	176.5	-57.4	0	0	0	0	111.3	F23 E24 Q25 L30 E31	F23-T27 WeakPolarHBondContact O-CB 3.38Å; F23-T27 PolarHBondContact O-N 3.01Å; F23-T27 PolarHBondContact O-OG1 3.26Å; E24-T27 PolarHBondContact O-N 3.22Å; Q25-T27 VanDerWaalsContact C-N 3.35Å; Q25-T27 PolarHBondContact O-N 3.28Å; T27-L30 PolarHBondContact O-N 2.81Å; T27-E31 PolarHBondContact O-N 2.76Å
28	R	87	Confident	82.6	Confident	136 Å²	136	109.8 Å²	109.8	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-63.1	-41.5	175.3	-76.3	-174.4	-93.5	138.6	-12.7	112.1	E24 Q25 E31 E32	E24-R28 WeakPolarHBondContact O-CB 3.29Å; E24-R28 WeakPolarHBondContact O-CG 3.37Å; E24-R28 PolarHBondContact O-N 3.1Å; E24-R28 IonicContact OE2-CZ 3.51Å; E24-R28 IonicContact OE2-NE 3.86Å; E24-R28 IonicContact OE2-NH2 2.92Å; E24-R28 PolarHBondContact OE2-NH2 2.89Å; Q25-R28 PolarHBondContact O-N 3.17Å; R28-E31 PolarHBondContact O-N 2.75Å; R28-E32 PolarHBondContact O-N 2.73Å; R28-E32 VanDerWaalsContact O-N 3.08Å
29	A	85.8	Confident	82	Confident	54 Å²	54	109.8 Å²	109.8	45%	0.446	52%	0.518	S	S	.	.	H	α-helix	trans	-63	-41.6	174.6	0	0	0	0	0	112.2	Q25 L26 E31 E32 E33	Q25-A29 PolarHBondContact O-N 3.13Å; L26-A29 PolarHBondContact O-N 3.25Å; A29-E31 PolarHBondContact O-N 2.94Å; A29-E32 PolarHBondContact O-N 3.01Å; A29-E33 WeakPolarHBondContact O-CB 3.36Å; A29-E33 PolarHBondContact O-N 3.31Å
30	L	83.1	Confident	81.6	Confident	124 Å²	124	110 Å²	110	65%	0.649	52%	0.52	S	S	*	.	H	α-helix	trans	-65.5	-36.9	177.5	-169	70.9	0	0	0	112.4	L26 T27 R34	L26-L30 WeakPolarHBondContact O-CB 3.35Å; L26-L30 PolarHBondContact O-N 3.47Å; T27-L30 PolarHBondContact O-N 2.81Å; L30-R34 VanDerWaalsContact O-CB 3.31Å; L30-R34 WeakPolarHBondContact O-CB 3.43Å; L30-R34 PolarHBondContact O-N 2.91Å
31	E	85.6	Confident	80.8	Confident	89 Å²	89	109 Å²	109	42%	0.416	52%	0.518	S	S	.	.	H	α-helix	trans	-66.2	-37.4	171.7	-74	-151.5	155.9	0	0	112.9	T27 R28 A29 R35	T27-E31 PolarHBondContact O-N 2.76Å; R28-E31 PolarHBondContact O-N 2.75Å; A29-E31 PolarHBondContact O-N 2.94Å; E31-R35 WeakPolarHBondContact O-CB 3.36Å; E31-R35 WeakPolarHBondContact O-CG 3.37Å; E31-R35 PolarHBondContact O-N 2.82Å; E31-R35 IonicContact OE2-CZ 3.5Å; E31-R35 IonicContact OE2-NH2 3.5Å; E31-R35 PolarHBondContact OE2-NH2 3.22Å
32	E	84.8	Confident	80	Confident	127 Å²	127	109.5 Å²	109.5	59%	0.593	52%	0.52	S	S	*	.	H	α-helix	trans	-70.5	-38.6	178.4	-171.5	162.7	-134.8	0	0	112	R28 A29 R35 N36	R28-E32 PolarHBondContact O-N 2.73Å; R28-E32 VanDerWaalsContact O-N 3.08Å; A29-E32 PolarHBondContact O-N 3.01Å; E32-R35 PolarHBondContact O-N 3.03Å; E32-N36 PolarHBondContact O-N 2.75Å; E32-N36 PolarHBondContact O-ND2 3.46Å
33	E	83.4	Confident	79.1	Confident	109 Å²	109	112.1 Å²	112.1	51%	0.509	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-49.5	171.9	-150.4	-75.1	139.7	0	0	110.5	A29 R35 N36 V37	A29-E33 WeakPolarHBondContact O-CB 3.36Å; A29-E33 PolarHBondContact O-N 3.31Å; E33-R35 VanDerWaalsContact C-N 3.31Å; E33-R35 PolarHBondContact O-N 3.1Å; E33-N36 WeakPolarHBondContact O-CB 3.22Å; E33-N36 PolarHBondContact O-N 3.24Å; E33-N36 VanDerWaalsContact O-N 3.07Å; E33-V37 WeakPolarHBondContact O-CG2 3.19Å; E33-V37 PolarHBondContact O-N 3.1Å
34	R	82.6	Confident	77.6	Confident	177 Å²	177	108.9 Å²	108.9	67%	0.668	53%	0.53	S	S	*	.	H	α-helix	trans	-57	-39.4	173.5	-179.9	-179.2	169.8	-145.1	-4.1	113.1	L30 T38	L30-R34 VanDerWaalsContact O-CB 3.31Å; L30-R34 WeakPolarHBondContact O-CB 3.43Å; L30-R34 PolarHBondContact O-N 2.91Å; R34-T38 WeakPolarHBondContact O-CB 3.44Å; R34-T38 PolarHBondContact O-N 3.41Å; R34-T38 PolarHBondContact O-OG1 2.77Å
35	R	79.6	Confident	76	Confident	152 Å²	152	110.1 Å²	110.1	57%	0.574	54%	0.54	S	S	*	.	H	α-helix	trans	-66.7	-42.4	175.3	-72.6	167.2	-156.8	-176.6	7.5	111.2	E31 E32 E33 T38 L39	E31-R35 WeakPolarHBondContact O-CB 3.36Å; E31-R35 WeakPolarHBondContact O-CG 3.37Å; E31-R35 PolarHBondContact O-N 2.82Å; E31-R35 IonicContact OE2-CZ 3.5Å; E31-R35 IonicContact OE2-NH2 3.5Å; E31-R35 PolarHBondContact OE2-NH2 3.22Å; E32-R35 PolarHBondContact O-N 3.03Å; E33-R35 VanDerWaalsContact C-N 3.31Å; E33-R35 PolarHBondContact O-N 3.1Å; R35-T38 WeakPolarHBondContact O-CB 3.23Å; R35-T38 PolarHBondContact O-N 3.34Å; R35-L39 WeakPolarHBondContact O-CG 3.34Å; R35-L39 PolarHBondContact O-N 3.42Å
36	N	79.9	Confident	74.1	Confident	84 Å²	84	111.6 Å²	111.6	45%	0.449	55%	0.55	S	S	.	*	H	α-helix	trans	-62.2	-43.3	174.3	-82.8	-48.5	0	0	0	112.7	E32 E33 T38 L39 Q40	E32-N36 PolarHBondContact O-N 2.75Å; E32-N36 PolarHBondContact O-ND2 3.46Å; E33-N36 WeakPolarHBondContact O-CB 3.22Å; E33-N36 PolarHBondContact O-N 3.24Å; E33-N36 VanDerWaalsContact O-N 3.07Å; N36-T38 VanDerWaalsContact C-N 3.31Å; N36-T38 PolarHBondContact O-N 3.49Å; N36-L39 PolarHBondContact O-N 2.95Å; N36-Q40 WeakPolarHBondContact O-CG 3.28Å; N36-Q40 PolarHBondContact O-N 2.98Å
37	V	78.7	Confident	72.5	Confident	57 Å²	57	111.1 Å²	111.1	35%	0.345	55%	0.554	S	S	.	*	H	α-helix	trans	-61.9	-39.6	174.4	171.8	0	0	0	0	111.2	E33 Q40 L41	E33-V37 WeakPolarHBondContact O-CG2 3.19Å; E33-V37 PolarHBondContact O-N 3.1Å; V37-Q40 PolarHBondContact O-N 3.1Å; V37-L41 HydrophobicContact CG1-CD1 4.18Å; V37-L41 PolarHBondContact O-N 3.36Å
38	T	76	Confident	70.4	Confident	67 Å²	67	114.4 Å²	114.4	41%	0.411	58%	0.577	S	S	.	*	H	α-helix	trans	-63.3	-45.7	175.6	-53.2	0	0	0	0	111.4	R34 R35 N36 Q40 L41 E42	R34-T38 WeakPolarHBondContact O-CB 3.44Å; R34-T38 PolarHBondContact O-N 3.41Å; R34-T38 PolarHBondContact O-OG1 2.77Å; R35-T38 WeakPolarHBondContact O-CB 3.23Å; R35-T38 PolarHBondContact O-N 3.34Å; N36-T38 VanDerWaalsContact C-N 3.31Å; N36-T38 PolarHBondContact O-N 3.49Å; T38-Q40 VanDerWaalsContact C-N 3.29Å; T38-Q40 PolarHBondContact O-N 3.46Å; T38-L41 WeakPolarHBondContact O-CB 3.32Å; T38-L41 PolarHBondContact O-N 3.37Å; T38-E42 PolarHBondContact O-N 3.34Å
39	L	71.2	Confident	68	Low	92 Å²	92	115.4 Å²	115.4	48%	0.482	59%	0.593	S	S	.	*	H	α-helix	trans	-65.9	-28	176	-70.5	167	0	0	0	113.2	R35 N36 R43	R35-L39 WeakPolarHBondContact O-CG 3.34Å; R35-L39 PolarHBondContact O-N 3.42Å; N36-L39 PolarHBondContact O-N 2.95Å; L39-R43 WeakPolarHBondContact O-CG 3.25Å; L39-R43 PolarHBondContact O-N 2.7Å; L39-R43 VanDerWaalsContact O-N 3.15Å
40	Q	68.4	Low	65.7	Low	128 Å²	128	118 Å²	118	60%	0.598	61%	0.605	S	S	*	*	H	α-helix	trans	-72	-40.2	171.4	-73.5	177.9	48.5	0	0	111.8	N36 V37 T38 R43 A44	N36-Q40 WeakPolarHBondContact O-CG 3.28Å; N36-Q40 PolarHBondContact O-N 2.98Å; V37-Q40 PolarHBondContact O-N 3.1Å; T38-Q40 VanDerWaalsContact C-N 3.29Å; T38-Q40 PolarHBondContact O-N 3.46Å; Q40-R43 PolarHBondContact O-N 3.38Å; Q40-A44 WeakPolarHBondContact O-CB 3.47Å; Q40-A44 PolarHBondContact O-N 2.7Å
41	L	67.8	Low	63.3	Low	103 Å²	103	117.1 Å²	117.1	54%	0.539	62%	0.616	S	S	.	*	H	α-helix	trans	-64.4	-40.9	173.4	-77.7	160.3	0	0	0	112.2	V37 T38 R43 A44 N45	V37-L41 HydrophobicContact CG1-CD1 4.18Å; V37-L41 PolarHBondContact O-N 3.36Å; T38-L41 WeakPolarHBondContact O-CB 3.32Å; T38-L41 PolarHBondContact O-N 3.37Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 PolarHBondContact O-N 3.49Å; L41-A44 PolarHBondContact O-N 2.86Å; L41-N45 PolarHBondContact O-N 2.72Å; L41-N45 VanDerWaalsContact O-N 3.14Å; L41-N45 PolarHBondContact O-ND2 3.07Å; L41-N45 VanDerWaalsContact O-ND2 3.15Å
42	E	67.1	Low	60.7	Low	121 Å²	121	120.6 Å²	120.6	57%	0.565	64%	0.635	S	S	*	*	H	α-helix	trans	-62.1	-39.7	173	-72.5	-178	160	0	0	112.1	T38 N45	T38-E42 PolarHBondContact O-N 3.34Å; E42-N45 PolarHBondContact O-N 2.75Å
43	R	59.5	Low	58.4	Low	200 Å²	200	119.5 Å²	119.5	76%	0.755	64%	0.642	S	S	*	*	H	α-helix	trans	-66.8	-34.1	173	-79.3	177.1	170.5	168.2	-0.7	113.4	L39 Q40 L41 N45	L39-R43 WeakPolarHBondContact O-CG 3.25Å; L39-R43 PolarHBondContact O-N 2.7Å; L39-R43 VanDerWaalsContact O-N 3.15Å; Q40-R43 PolarHBondContact O-N 3.38Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 PolarHBondContact O-N 3.49Å; R43-N45 VanDerWaalsContact C-N 3.3Å
44	A	54.9	Low	55.8	Low	77 Å²	77	123.1 Å²	123.1	64%	0.636	66%	0.659	S	S	*	*	H	α-helix	trans	-71.5	-23.7	177.9	0	0	0	0	0	113.2	Q40 L41	Q40-A44 WeakPolarHBondContact O-CB 3.47Å; Q40-A44 PolarHBondContact O-N 2.7Å; L41-A44 PolarHBondContact O-N 2.86Å
45	N	49.8	Very low	53.7	Low	136 Å²	136	120.3 Å²	120.3	73%	0.727	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	3.2	179.2	-73.8	-37.6	0	0	0	114.4	L41 E42 R43	L41-N45 PolarHBondContact O-N 2.72Å; L41-N45 VanDerWaalsContact O-N 3.14Å; L41-N45 PolarHBondContact O-ND2 3.07Å; L41-N45 VanDerWaalsContact O-ND2 3.15Å; E42-N45 PolarHBondContact O-N 2.75Å; R43-N45 VanDerWaalsContact C-N 3.3Å
46	L	45.6	Very low	51.4	Low	127 Å²	127	121 Å²	121	67%	0.665	68%	0.678	S	S	*	*	S	Bend	trans	-84.5	132.7	172.7	-71.5	170.8	0	0	0	110.8
47	P	45.7	Very low	49.4	Very low	113 Å²	113	121.1 Å²	121.1	73%	0.734	69%	0.69	S	S	*	*			trans	-66.2	144.3	-178.6	27.1	-34.4	0	0	0	111.8	N49	P47-N49 PolarHBondContact O-N 3.09Å; P47-N49 VanDerWaalsContact O-N 3.14Å
48	P	41	Very low	47	Very low	130 Å²	130	130.1 Å²	130.1	84%	0.844	72%	0.718	S	S	*	*			trans	-71.1	110.6	-173.4	27.9	-34.7	0	0	0	111.9
49	N	37.7	Very low	44.7	Very low	157 Å²	157	135.7 Å²	135.7	84%	0.84	74%	0.739	S	S	*	*			trans	-68.4	136.1	170	-140.3	9.2	0	0	0	109.1	P47	P47-N49 PolarHBondContact O-N 3.09Å; P47-N49 VanDerWaalsContact O-N 3.14Å
50	P	37.2	Very low	42.8	Very low	109 Å²	109	139.8 Å²	139.8	71%	0.708	76%	0.756	S	S	*	*			trans	-67.3	139.6	-169.4	26.2	-33.9	0	0	0	112.3	I52	P50-I52 PolarHBondContact O-N 3.07Å; P50-I52 VanDerWaalsContact O-N 3.1Å
51	A	32.6	Very low	40.9	Very low	105 Å²	105	139.2 Å²	139.2	87%	0.868	76%	0.761	S	S	*	*			trans	-67.6	107.3	-170.5	0	0	0	0	0	113.1	S53	A51-S53 PolarHBondContact O-N 3.29Å
52	I	31.5	Very low	39	Very low	162 Å²	162	140.1 Å²	140.1	83%	0.831	77%	0.77	S	S	*	*			trans	-81.8	107.1	162.6	-60.9	178.9	0	0	0	107.9	P50	P50-I52 PolarHBondContact O-N 3.07Å; P50-I52 VanDerWaalsContact O-N 3.1Å
53	S	35.5	Very low	37	Very low	104 Å²	104	142 Å²	142	73%	0.727	78%	0.781	S	S	*	*			trans	-69.7	131	171.5	56.3	0	0	0	0	111.5	A51	A51-S53 PolarHBondContact O-N 3.29Å
54	Q	29.4	Very low	35.4	Very low	185 Å²	185	138.7 Å²	138.7	86%	0.864	77%	0.774	S	S	*	*			trans	-165.3	170	153.3	-105.9	-173.2	45.3	0	0	110.3
55	P	37.7	Very low	34.1	Very low	118 Å²	118	141.6 Å²	141.6	77%	0.766	78%	0.775	S	S	*	*			trans	-110	-173.3	-145.2	11.4	13.6	0	0	0	115.4	A57	P55-A57 PolarHBondContact O-N 2.65Å
56	L	32.8	Very low	32.9	Very low	167 Å²	167	143.2 Å²	143.2	87%	0.874	78%	0.778	S	S	*	*			trans	-63	115.4	-174.6	-74.4	161.3	0	0	0	115.3
57	A	38.3	Very low	31.9	Very low	86 Å²	86	142.5 Å²	142.5	71%	0.711	78%	0.783	S	S	*	*			trans	48.8	86.7	130.3	0	0	0	0	0	119.8	P55	P55-A57 PolarHBondContact O-N 2.65Å
58	W	28.3	Very low	32	Very low	246 Å²	246	142.6 Å²	142.6	93%	0.932	78%	0.784	S	S	*	*			trans	-144.2	149.6	147.5	-80	91.2	0	0	0	109.5
59	Q	27.6	Very low	31.2	Very low	183 Å²	183	142.3 Å²	142.3	86%	0.855	79%	0.785	S	S	*	*			trans	64	109	179.4	-57.4	174.7	-10.1	0	0	114.1
60	Q	30.5	Very low	30.8	Very low	178 Å²	178	142.5 Å²	142.5	83%	0.832	79%	0.786	S	S	*	*			cis	88.2	126.1	22.6	-148.3	-151	-9.3	0	0	115.8
61	V	27.6	Very low	30.3	Very low	116 Å²	116	142.3 Å²	142.3	70%	0.703	79%	0.794	S	S	*	*			trans	76.7	137.4	165.1	-152.3	0	0	0	0	118.8
62	V	28.1	Very low	30.1	Very low	122 Å²	122	143.4 Å²	143.4	74%	0.739	79%	0.79	S	S	*	*			trans	126.9	100.4	145.8	-179.4	0	0	0	0	113.7
63	M	25.6	Very low	30	Very low	162 Å²	162	140.5 Å²	140.5	80%	0.798	78%	0.784	S	S	*	*				33	148	126.5	-74.3	170.9	146.3	0	0	121.1
64	Q	26	Very low	29.6	Very low	130 Å²	130	144 Å²	144	61%	0.607	79%	0.794	S	S	*	*			cis	-178.4	145.4	-1.4	166.1	175.1	2.4	0	0	111.3
65	E	26.9	Very low	29.7	Very low	138 Å²	138	139.4 Å²	139.4	65%	0.645	79%	0.787	S	S	*	*			trans	69.1	161.3	153.6	-84.5	175.1	-128.9	0	0	125.8
66	Q	25.9	Very low	29.4	Very low	169 Å²	169	143 Å²	143	79%	0.79	80%	0.796	S	S	*	*			trans	75.2	90.5	148.1	-80	169	58.5	0	0	121.6
67	S	24.3	Very low	29.1	Very low	112 Å²	112	143.9 Å²	143.9	78%	0.783	80%	0.798	S	S	*	*			trans	-89.6	178.2	133.7	17.9	0	0	0	0	110.2
68	P	47.2	Very low	28.8	Very low	116 Å²	116	148.9 Å²	148.9	75%	0.753	81%	0.807	S	S	*	*			cis	-131.7	177.6	-14.4	38.3	-22.1	0	0	0	114.2
69	S	24.9	Very low	28.9	Very low	124 Å²	124	145.6 Å²	145.6	87%	0.867	80%	0.802	S	S	*	*			trans	-164.8	162.2	145.7	0.2	0	0	0	0	113.3
70	N	28.7	Very low	29.1	Very low	161 Å²	161	142.9 Å²	142.9	86%	0.861	80%	0.8	S	S	*	*			trans	-102.8	156.4	-171.4	-51.9	-38.6	0	0	0	113.8
71	A	28	Very low	29.1	Very low	104 Å²	104	143.4 Å²	143.4	86%	0.86	80%	0.802	S	S	*	*			trans	-156.7	160.3	145.8	0	0	0	0	0	110.7
72	T	28.5	Very low	29.3	Very low	128 Å²	128	146.7 Å²	146.7	79%	0.785	81%	0.81	S	S	*	*			trans	-132.6	157.5	-165.8	-41.9	0	0	0	0	112.4
73	S	27.7	Very low	29.5	Very low	101 Å²	101	147.6 Å²	147.6	71%	0.706	82%	0.815	S	S	*	*			trans	92.5	115.1	156.6	-29.4	0	0	0	0	117.9
74	L	28.4	Very low	29.8	Very low	178 Å²	178	145 Å²	145	93%	0.932	81%	0.809	S	S	*	*				-172.9	160.6	99.2	-101.8	159.9	0	0	0	111.1
75	A	30.3	Very low	30.1	Very low	88 Å²	88	147.8 Å²	147.8	73%	0.727	82%	0.821	S	S	*	*			trans	-104.5	146.8	-178.8	0	0	0	0	0	111.6
76	M	31.1	Very low	30.5	Very low	193 Å²	193	147.2 Å²	147.2	95%	0.951	82%	0.819	S	S	*	*			trans	-137.5	166.8	163.5	-76	-159.4	169.4	0	0	110.6
77	M	27	Very low	31	Very low	186 Å²	186	145.5 Å²	145.5	92%	0.916	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-79.9	158.8	-162.4	-65.5	172.1	64	0	0	113.5
78	Q	31.6	Very low	31.4	Very low	192 Å²	192	144.9 Å²	144.9	90%	0.897	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-92.5	119.3	-178.8	-174.9	174	6.5	0	0	110.4
79	E	31.2	Very low	30.8	Very low	177 Å²	177	144.5 Å²	144.5	83%	0.827	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81.7	146.9	173.4	-65.6	-177.3	137.5	0	0	111.1
80	P	32.1	Very low	31.4	Very low	126 Å²	126	144.2 Å²	144.2	82%	0.818	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-78.9	153.6	-179.7	32.8	-35.1	0	0	0	112.5
81	Q	30.1	Very low	31.8	Very low	189 Å²	189	145.6 Å²	145.6	88%	0.883	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.7	135.1	-175.1	-63.8	170.9	-97.9	0	0	112.9
82	E	32.2	Very low	32.3	Very low	184 Å²	184	148.2 Å²	148.2	86%	0.86	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-70.2	143.9	161	-64	-173.4	132.4	0	0	110.6
83	V	32.4	Very low	32.7	Very low	141 Å²	141	149.3 Å²	149.3	86%	0.855	79%	0.792	S	S	*	*			trans	-104.6	121.7	172.5	-179.1	0	0	0	0	108.5
84	V	32.1	Very low	33.2	Very low	109 Å²	109	150.5 Å²	150.5	66%	0.661	80%	0.797	S	S	*	*			trans	-113.2	117.6	-177.3	-178	0	0	0	0	109.5
85	E	32.8	Very low	33.5	Very low	187 Å²	187	144.9 Å²	144.9	87%	0.874	78%	0.782	S	S	*	*			trans	-84.8	130.9	161.6	-72.8	-168.2	132.7	0	0	109.6
86	E	33.9	Very low	33.8	Very low	126 Å²	126	146.9 Å²	146.9	59%	0.589	79%	0.785	S	S	*	*			trans	-121	120.7	179.5	-175.4	157	-118.7	0	0	110	R128	E86-R128 IonicContact OE1-CZ 3.11Å; E86-R128 VanDerWaalsContact OE1-CZ 3.24Å; E86-R128 IonicContact OE1-NE 2.76Å; E86-R128 PolarHBondContact OE1-NE 2.74Å; E86-R128 IonicContact OE1-NH2 3.54Å; E86-R128 PolarHBondContact OE1-NH2 2.83Å
87	T	36.3	Very low	34.3	Very low	134 Å²	134	143.5 Å²	143.5	82%	0.822	78%	0.778	S	S	*	*			trans	-117.8	118.4	178.1	48.6	0	0	0	0	110
88	V	33.1	Very low	34.8	Very low	99 Å²	99	139.8 Å²	139.8	60%	0.6	77%	0.766	S	S	*	*			trans	-96.3	129	175.3	179.8	0	0	0	0	108.7	I90 T126	V88-I90 HydrophobicContact CG1-CG1 4.32Å; V88-T126 HydrophobicContact CG1-CG2 3.96Å
89	T	34.6	Very low	35.1	Very low	107 Å²	107	135.5 Å²	135.5	66%	0.656	76%	0.757	S	S	*	*			trans	-112.4	144.3	169.3	46.6	0	0	0	0	109.7
90	I	38.2	Very low	35.6	Very low	118 Å²	118	134.3 Å²	134.3	61%	0.605	75%	0.751	S	S	*	*			trans	-128.9	118.1	179	-56.2	175.6	0	0	0	106.7	V88 E92 T124	V88-I90 HydrophobicContact CG1-CG1 4.32Å; I90-E92 HydrophobicContact CG2-CG 4.35Å; I90-T124 HydrophobicContact CG2-CG2 3.98Å
91	E	37.2	Very low	36.1	Very low	191 Å²	191	131.3 Å²	131.3	89%	0.893	73%	0.73	S	S	*	*			trans	-95.7	133.9	163.7	-72.8	-171	123.5	0	0	109.3
92	E	37.9	Very low	36.7	Very low	159 Å²	159	125.1 Å²	125.1	74%	0.743	71%	0.708	S	S	*	*			trans	-113.7	134.4	166.5	-68	-160.5	128	0	0	110.1	I90	I90-E92 HydrophobicContact CG2-CG 4.35Å
93	D	35.5	Very low	37.2	Very low	151 Å²	151	120.4 Å²	120.4	81%	0.807	69%	0.692	S	S	*	*			trans	-78.9	120.7	179.5	177.1	32.1	0	0	0	110.4	G95	D93-G95 VanDerWaalsContact C-N 3.29Å; D93-G95 PolarHBondContact O-N 3.2Å
94	P	38.8	Very low	37.9	Very low	125 Å²	125	118 Å²	118	81%	0.812	68%	0.677	S	S	*	*			trans	-76.7	69.7	-170.5	31.2	-36.8	0	0	0	113.5
95	G	35.9	Very low	38.8	Very low	61 Å²	61	117 Å²	117	63%	0.629	67%	0.671	S	S	*	*			trans	-102.9	101	177.9	0	0	0	0	0	114.2	D93	D93-G95 VanDerWaalsContact C-N 3.29Å; D93-G95 PolarHBondContact O-N 3.2Å
96	T	36.7	Very low	39.8	Very low	129 Å²	129	110.9 Å²	110.9	79%	0.791	65%	0.649	S	S	*	*			trans	-68.8	127.5	-180	-36.6	0	0	0	0	112.8	T98	T96-T98 PolarHBondContact O-N 2.7Å
97	P	40	Very low	40.8	Very low	123 Å²	123	113.6 Å²	113.6	80%	0.799	67%	0.668	S	S	*	*			trans	-89.3	106.4	179	32.8	-32.4	0	0	0	112.8
98	T	37.5	Very low	41.7	Very low	108 Å²	108	112.9 Å²	112.9	66%	0.663	66%	0.659	S	S	*	*			trans	-85.6	122.5	171.7	51.1	0	0	0	0	111.9	T96 H100	T96-T98 PolarHBondContact O-N 2.7Å; T98-H100 PolarHBondContact O-N 3.02Å
99	S	38.2	Very low	42.6	Very low	102 Å²	102	111 Å²	111	71%	0.713	66%	0.66	S	S	*	*			trans	-76.7	118.8	172.6	45.7	0	0	0	0	111.5
100	H	42.6	Very low	43.2	Very low	152 Å²	152	109.3 Å²	109.3	70%	0.704	65%	0.649	S	S	*	*			trans	-89.8	113.8	171.8	-75.7	-82	0	0	0	110.7	T98	T98-H100 PolarHBondContact O-N 3.02Å
101	V	41.4	Very low	43.5	Very low	63 Å²	63	108.1 Å²	108.1	38%	0.382	65%	0.647	S	S	.	*			trans	-91.8	119.9	170.6	178.2	0	0	0	0	108.7	R113 E115	V101-R113 HydrophobicContact CG1-CG 3.92Å; V101-E115 HydrophobicContact CG2-CG 4.46Å; V101-E115 VanDerWaalsContact CG2-OE1 3.32Å; V101-E115 WeakPolarHBondContact CG2-OE1 3.41Å
102	S	42.3	Very low	44.1	Very low	59 Å²	59	108.4 Å²	108.4	41%	0.413	64%	0.64	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.7	141.4	166.9	57.5	0	0	0	0	110.7	T114	S102-T114 PolarHBondContact O-N 2.68Å
103	V	44.4	Very low	44.5	Very low	85 Å²	85	109.3 Å²	109.3	52%	0.515	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	124	168.6	179.4	0	0	0	0	106.4	T111 R113	V103-T111 HydrophobicContact CG1-CG2 4.22Å; V103-R113 HydrophobicContact CG2-CB 4.33Å; V103-R113 HydrophobicContact CG2-CG 4.27Å
104	V	47	Very low	45.1	Very low	90 Å²	90	105.7 Å²	105.7	55%	0.545	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.3	128.8	172.7	-177.4	0	0	0	0	107.7	R112	V104-R112 PolarHBondContact N-O 2.66Å; V104-R112 VanDerWaalsContact N-O 3.13Å; V104-R112 PolarHBondContact O-N 3.42Å
105	T	49.4	Very low	45.3	Very low	87 Å²	87	105.7 Å²	105.7	53%	0.534	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.6	126	173.4	-43.6	0	0	0	0	108	T111	T105-T111 HydrophobicContact CG2-CG2 3.85Å
106	S	55.2	Low	45.7	Very low	59 Å²	59	107.8 Å²	107.8	41%	0.413	61%	0.61	S	S	.	*			trans	-79.9	155.8	171.1	-64.7	0	0	0	0	110.7	D108 G109 T110	S106-D108 WeakPolarHBondContact CB-OD1 3.47Å; S106-D108 PolarHBondContact O-N 3.12Å; S106-G109 PolarHBondContact O-N 3.4Å; S106-T110 PolarHBondContact N-O 3.07Å
107	D	53.9	Low	45.9	Very low	184 Å²	184	110.7 Å²	110.7	98%	0.984	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-9.3	177.9	-62.8	-37.8	0	0	0	113.9	G109	D107-G109 VanDerWaalsContact C-N 3.28Å
108	D	56.4	Low	45.7	Very low	118 Å²	118	111 Å²	111	63%	0.631	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	0.3	170	69.7	5.6	0	0	0	113.8	S106 T110	S106-D108 WeakPolarHBondContact CB-OD1 3.47Å; S106-D108 PolarHBondContact O-N 3.12Å; D108-T110 VanDerWaalsContact OD1-CB 3.31Å; D108-T110 WeakPolarHBondContact OD1-CB 3.49Å; D108-T110 WeakPolarHBondContact OD1-CG2 3.36Å; D108-T110 PolarHBondContact OD1-N 3.22Å; D108-T110 PolarHBondContact OD1-OG1 3.27Å; D108-T110 PolarHBondContact OD2-OG1 2.88Å
109	G	51.1	Low	45.9	Very low	60 Å²	60	111.5 Å²	111.5	62%	0.619	61%	0.614	S	S	*	*	S	Bend	trans	84.9	1.2	-178.7	0	0	0	0	0	114.8	S106 D107	S106-G109 PolarHBondContact O-N 3.4Å; D107-G109 VanDerWaalsContact C-N 3.28Å
110	T	46.7	Very low	45.8	Very low	71 Å²	71	115.8 Å²	115.8	44%	0.436	62%	0.62	S	S	.	*			trans	-83.9	126.4	177	65.6	0	0	0	0	111.9	S106 D108	S106-T110 PolarHBondContact N-O 3.07Å; D108-T110 VanDerWaalsContact OD1-CB 3.31Å; D108-T110 WeakPolarHBondContact OD1-CB 3.49Å; D108-T110 WeakPolarHBondContact OD1-CG2 3.36Å; D108-T110 PolarHBondContact OD1-N 3.22Å; D108-T110 PolarHBondContact OD1-OG1 3.27Å; D108-T110 PolarHBondContact OD2-OG1 2.88Å
111	T	45.9	Very low	45.4	Very low	93 Å²	93	116.6 Å²	116.6	57%	0.571	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.7	126.9	170.8	49.9	0	0	0	0	110.2	V103 T105	V103-T111 HydrophobicContact CG1-CG2 4.22Å; T105-T111 HydrophobicContact CG2-CG2 3.85Å
112	R	48.7	Very low	45.2	Very low	198 Å²	198	119 Å²	119	75%	0.747	64%	0.641	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.2	129.4	166.2	-86.8	-176.8	165.3	176	-3.6	110	V104	V104-R112 PolarHBondContact N-O 2.66Å; V104-R112 VanDerWaalsContact N-O 3.13Å; V104-R112 PolarHBondContact O-N 3.42Å
113	R	47.6	Very low	44.8	Very low	177 Å²	177	124.5 Å²	124.5	67%	0.668	66%	0.657	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96	117.5	174.9	-178	175.5	175.2	172.2	-0.4	108.3	V101 V103	V101-R113 HydrophobicContact CG1-CG 3.92Å; V103-R113 HydrophobicContact CG2-CB 4.33Å; V103-R113 HydrophobicContact CG2-CG 4.27Å
114	T	47	Very low	44.6	Very low	75 Å²	75	124.3 Å²	124.3	46%	0.46	66%	0.657	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.8	123.3	178.7	46.4	0	0	0	0	110	S102	S102-T114 PolarHBondContact O-N 2.68Å
115	E	44.4	Very low	44	Very low	125 Å²	125	125.6 Å²	125.6	58%	0.584	66%	0.664	S	S	*	*			trans	-111.8	94.7	-175	-168.3	162.9	-113	0	0	109.8	V101 K117	V101-E115 HydrophobicContact CG2-CG 4.46Å; V101-E115 VanDerWaalsContact CG2-OE1 3.32Å; V101-E115 WeakPolarHBondContact CG2-OE1 3.41Å; E115-K117 PolarHBondContact O-N 2.77Å
116	T	44.2	Very low	43.4	Very low	105 Å²	105	125.9 Å²	125.9	64%	0.644	67%	0.666	S	S	*	*			trans	-83.7	97.6	-178.1	36.8	0	0	0	0	111.3	V118	T116-V118 PolarHBondContact O-N 3.31Å
117	K	40	Very low	42.6	Very low	191 Å²	191	127.9 Å²	127.9	83%	0.83	68%	0.676	S	S	*	*			trans	-73.3	90.7	177.1	-167.8	174.7	-175.1	176.2	0	111.7	E115 T119	E115-K117 PolarHBondContact O-N 2.77Å; K117-T119 PolarHBondContact O-N 2.78Å
118	V	36.8	Very low	41.8	Very low	129 Å²	129	128 Å²	128	78%	0.782	66%	0.663	S	S	*	*			trans	-77.3	99.4	176.7	-178.2	0	0	0	0	110.4	T116 K120	T116-V118 PolarHBondContact O-N 3.31Å; V118-K120 PolarHBondContact O-N 2.95Å
119	T	41	Very low	41	Very low	119 Å²	119	128.6 Å²	128.6	73%	0.73	67%	0.671	S	S	*	*			trans	-80.9	97.2	170.2	50.8	0	0	0	0	110.2	K117 M121	K117-T119 PolarHBondContact O-N 2.78Å; T119-M121 PolarHBondContact O-N 3.46Å
120	K	35.7	Very low	40.3	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.835	68%	0.676	S	S	*	*			trans	-71.3	117.8	170.8	-161.8	-177.4	-177.3	-168.5	0	108.7	V118 V122	V118-K120 PolarHBondContact O-N 2.95Å; K120-V122 PolarHBondContact O-N 3.46Å; K120-V122 VanDerWaalsContact O-N 3.13Å
121	M	34.1	Very low	39.9	Very low	169 Å²	169	138.8 Å²	138.8	83%	0.833	70%	0.696	S	S	*	*			trans	-72.9	104.4	-179.9	-171.4	-178.7	-169.5	0	0	110	T119	T119-M121 PolarHBondContact O-N 3.46Å
122	V	38.6	Very low	39.6	Very low	113 Å²	113	143.2 Å²	143.2	69%	0.685	71%	0.71	S	S	*	*			trans	-69.7	131.8	171.2	-178.9	0	0	0	0	108.5	K120	K120-V122 PolarHBondContact O-N 3.46Å; K120-V122 VanDerWaalsContact O-N 3.13Å
123	K	33.6	Very low	39.4	Very low	175 Å²	175	138.8 Å²	138.8	76%	0.761	70%	0.704	S	S	*	*			trans	-104.1	99	170.2	-75.7	-171.9	175	-174.2	0	108.7	V125	K123-V125 PolarHBondContact O-N 3.35Å
124	T	39	Very low	39.2	Very low	81 Å²	81	135.1 Å²	135.1	50%	0.497	70%	0.704	S	S	.	*			trans	-62.9	128.8	166.3	-39.8	0	0	0	0	108.7	I90	I90-T124 HydrophobicContact CG2-CG2 3.98Å
125	V	35.2	Very low	39.3	Very low	116 Å²	116	136.9 Å²	136.9	70%	0.703	71%	0.71	S	S	*	*			trans	-115.9	99.5	178.7	178.9	0	0	0	0	108.6	K123 T127	K123-V125 PolarHBondContact O-N 3.35Å; V125-T127 PolarHBondContact O-N 3.46Å
126	T	36.4	Very low	40	Very low	94 Å²	94	131.5 Å²	131.5	58%	0.577	69%	0.688	S	S	*	*			trans	-80.7	111.6	177.4	-42.5	0	0	0	0	110.2	V88	V88-T126 HydrophobicContact CG1-CG2 3.96Å
127	T	39.2	Very low	40.4	Very low	101 Å²	101	133 Å²	133	62%	0.62	70%	0.699	S	S	*	*			trans	-92.2	118.9	173.1	33.7	0	0	0	0	110.9	V125	V125-T127 PolarHBondContact O-N 3.46Å
128	R	37.4	Very low	41.1	Very low	186 Å²	186	130.8 Å²	130.8	70%	0.702	70%	0.697	S	S	*	*			trans	-89	120.4	175.6	-165.8	-177.1	-162.9	-152	6.4	109.8	E86	E86-R128 IonicContact OE1-CZ 3.11Å; E86-R128 VanDerWaalsContact OE1-CZ 3.24Å; E86-R128 IonicContact OE1-NE 2.76Å; E86-R128 PolarHBondContact OE1-NE 2.74Å; E86-R128 IonicContact OE1-NH2 3.54Å; E86-R128 PolarHBondContact OE1-NH2 2.83Å
129	T	38.5	Very low	41.8	Very low	131 Å²	131	126.9 Å²	126.9	80%	0.804	68%	0.683	S	S	*	*			trans	-116.4	118.1	177.8	-39.6	0	0	0	0	109.3
130	V	35.6	Very low	42.5	Very low	121 Å²	121	127.2 Å²	127.2	73%	0.733	68%	0.679	S	S	*	*			trans	-96	131.4	179	-178.8	0	0	0	0	109.2
131	R	39.9	Very low	42.9	Very low	223 Å²	223	122.3 Å²	122.3	84%	0.842	67%	0.667	S	S	*	*			trans	-131.3	127.2	176	-170.2	176.2	-177.2	-171.2	-2.2	109.6
132	Q	38.2	Very low	43.5	Very low	187 Å²	187	119.6 Å²	119.6	87%	0.874	66%	0.655	S	S	*	*			trans	-76.6	142.3	173.9	-70.8	177.7	-33.3	0	0	110.7
133	V	44.4	Very low	43.9	Very low	104 Å²	104	120.1 Å²	120.1	63%	0.63	66%	0.661	S	S	*	*			trans	-107.5	124.4	173.9	-179.7	0	0	0	0	108.5	L135	V133-L135 PolarHBondContact O-N 3.06Å
134	P	43.4	Very low	44.2	Very low	101 Å²	101	121 Å²	121	66%	0.656	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-66.3	123.5	174.2	-21.1	33.8	0	0	0	111.8
135	L	50.4	Low	43.8	Very low	111 Å²	111	120.1 Å²	120.1	58%	0.581	68%	0.675	S	S	*	*	B	Isolated β-bridge	trans	-89.1	147.3	171.7	-67.2	171.2	0	0	0	110.6	V133 P141	V133-L135 PolarHBondContact O-N 3.06Å; L135-P141 HydrophobicContact CD2-CG 4.19Å
136	G	59.5	Low	43.5	Very low	13 Å²	13	120.5 Å²	120.5	13%	0.134	68%	0.683	C	S	.	*	P	Polyproline II helix	trans	-70	165.3	166.3	0	0	0	0	0	112	D138 G139 L140	G136-D138 PolarHBondContact O-N 2.7Å; G136-G139 PolarHBondContact O-N 2.91Å; G136-L140 PolarHBondContact N-O 3.02Å
137	P	51.1	Low	43.4	Very low	135 Å²	135	121.7 Å²	121.7	88%	0.877	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-19.7	178.2	26.7	-35.5	0	0	0	113.5	G139	P137-G139 VanDerWaalsContact C-N 3.33Å
138	D	54.8	Low	43.3	Very low	145 Å²	145	122.2 Å²	122.2	78%	0.775	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	6.1	179.5	-48.1	-37.7	0	0	0	113.1	G136 L140	G136-D138 PolarHBondContact O-N 2.7Å; D138-L140 VanDerWaalsContact C-N 3.35Å; D138-L140 PolarHBondContact O-N 3.02Å
139	G	51.9	Low	42.8	Very low	48 Å²	48	121.4 Å²	121.4	50%	0.495	71%	0.709	S	S	.	*	S	Bend	trans	79.3	7.3	175.7	0	0	0	0	0	116	G136 P137	G136-G139 PolarHBondContact O-N 2.91Å; P137-G139 VanDerWaalsContact C-N 3.33Å
140	L	55.2	Low	42.2	Very low	125 Å²	125	119.8 Å²	119.8	65%	0.654	70%	0.703	S	S	*	*	S	Bend	trans	-101.6	149	177.7	-63	177.4	0	0	0	112.1	G136 D138	G136-L140 PolarHBondContact N-O 3.02Å; D138-L140 VanDerWaalsContact C-N 3.35Å; D138-L140 PolarHBondContact O-N 3.02Å
141	P	45.1	Very low	42	Very low	90 Å²	90	118.5 Å²	118.5	58%	0.584	70%	0.699	S	S	*	*	B	Isolated β-bridge	trans	-64	138.1	172.6	-20	32.6	0	0	0	112.1	L135	L135-P141 HydrophobicContact CD2-CG 4.19Å
142	L	46.6	Very low	41.4	Very low	111 Å²	111	117.3 Å²	117.3	58%	0.581	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-80.4	125.7	176.2	-71.7	167.5	0	0	0	110.9	E144	L142-E144 PolarHBondContact O-N 2.85Å
143	P	46.5	Very low	41	Very low	125 Å²	125	113.4 Å²	113.4	81%	0.812	69%	0.685	S	S	*	*			trans	-78.8	99.8	173.7	30.6	-32.2	0	0	0	110.3	G145	P143-G145 PolarHBondContact O-N 3.46Å
144	E	39.2	Very low	40.2	Very low	194 Å²	194	115.2 Å²	115.2	91%	0.907	69%	0.692	S	S	*	*			trans	-67.6	124.3	176.6	-76.1	-162.7	141.8	0	0	112.4	L142	L142-E144 PolarHBondContact O-N 2.85Å
145	G	31.4	Very low	39.7	Very low	61 Å²	61	115.1 Å²	115.1	63%	0.629	69%	0.693	S	S	*	*			trans	-119.1	122.3	167.1	0	0	0	0	0	111.3	P143	P143-G145 PolarHBondContact O-N 3.46Å
146	S	29.1	Very low	38.7	Very low	125 Å²	125	117 Å²	117	87%	0.874	70%	0.702	S	S	*	*			trans	58.7	118.5	167.9	55.2	0	0	0	0	118.6
147	S	33.4	Very low	37.3	Very low	119 Å²	119	121.4 Å²	121.4	83%	0.832	72%	0.723	S	S	*	*			trans	-74	168.6	174.1	-38.5	0	0	0	0	113.8
148	P	37	Very low	36.3	Very low	112 Å²	112	123.5 Å²	123.5	73%	0.727	71%	0.713	S	S	*	*				-133	155.3	128.7	37.8	-29.4	0	0	0	115
149	L	27.8	Very low	35.1	Very low	168 Å²	168	128.6 Å²	128.6	88%	0.88	72%	0.721	S	S	*	*			trans	14.1	149.2	144.3	-79	65.9	0	0	0	120.3
150	S	26.6	Very low	34.1	Very low	97 Å²	97	135 Å²	135	68%	0.678	73%	0.732	S	S	*	*			cis	-178.6	175.3	-2.9	176.7	0	0	0	0	109.6
151	S	29.8	Very low	33.1	Very low	95 Å²	95	136.2 Å²	136.2	66%	0.664	74%	0.736	S	S	*	*			trans	81.2	148.7	152.2	-56.5	0	0	0	0	117.3
152	Y	27.8	Very low	32.2	Very low	197 Å²	197	140.5 Å²	140.5	77%	0.773	75%	0.746	S	S	*	*			cis	-158.8	146.2	9.3	-144.9	-134.2	0	0	0	114.1
153	T	30.7	Very low	31.4	Very low	106 Å²	106	142.1 Å²	142.1	65%	0.65	76%	0.755	S	S	*	*			trans	57.8	149.7	152.5	49.1	0	0	0	0	120.3
154	D	27.6	Very low	30.6	Very low	142 Å²	142	140.2 Å²	140.2	76%	0.759	76%	0.758	S	S	*	*			cis	-147.9	-168.7	12.1	-146.6	41.7	0	0	0	109.6
155	S	31.8	Very low	30	Very low	98 Å²	98	134.9 Å²	134.9	69%	0.685	76%	0.755	S	S	*	*			cis	-153.4	-177.6	10.8	69.1	0	0	0	0	114.1
156	I	30.4	Very low	29.9	Very low	151 Å²	151	140.9 Å²	140.9	77%	0.774	77%	0.767	S	S	*	*			trans	-147.4	148.5	-159.9	-83.2	176	0	0	0	108.7
157	D	29.8	Very low	29.8	Very low	105 Å²	105	145.4 Å²	145.4	56%	0.561	77%	0.765	S	S	*	*			cis	-154.5	167.1	17.4	-145.1	-31.3	0	0	0	115
158	R	29.4	Very low	29.5	Very low	179 Å²	179	148.3 Å²	148.3	68%	0.675	76%	0.762	S	S	*	*			trans	44.5	128.6	143.6	-99.5	166.6	-91	-146.3	-0.8	124.4	Y160	R158-Y160 HydrophobicContact CG-CD2 3.95Å; R158-Y160 HydrophobicContact CG-CE2 4.22Å
159	R	30.7	Very low	29	Very low	253 Å²	253	149.5 Å²	149.5	96%	0.955	76%	0.761	S	S	*	*				-147.6	140	103.7	-123.3	-179.8	-78.5	-159.2	-0.3	113.1
160	Y	30.8	Very low	29.1	Very low	181 Å²	181	147.1 Å²	147.1	71%	0.71	75%	0.754	S	S	*	*			trans	-90.9	165.6	-175.8	-98.2	-132.9	0	0	0	112.1	R158	R158-Y160 HydrophobicContact CG-CD2 3.95Å; R158-Y160 HydrophobicContact CG-CE2 4.22Å
161	M	33.6	Very low	29.4	Very low	151 Å²	151	148.5 Å²	148.5	74%	0.744	76%	0.761	S	S	*	*			cis	-178.9	154	-20.2	-172.9	-167.1	-155.1	0	0	108.7
162	K	26.3	Very low	29.1	Very low	181 Å²	181	153.1 Å²	153.1	79%	0.787	77%	0.772	S	S	*	*			trans	-158.6	136.5	142.6	-153.2	167.7	-175.2	179.7	0	112.5
163	N	30.7	Very low	29.2	Very low	145 Å²	145	148.5 Å²	148.5	78%	0.775	77%	0.774	S	S	*	*			trans	20	132.1	164.6	-52.6	16	0	0	0	119.5
164	G	29.8	Very low	29	Very low	85 Å²	85	150.6 Å²	150.6	88%	0.876	79%	0.787	S	S	*	*			cis	139.2	95.6	3.7	0	0	0	0	0	111.2
165	G	26.5	Very low	29	Very low	82 Å²	82	148.8 Å²	148.8	85%	0.845	79%	0.786	S	S	*	*			trans	-157	168	-176.5	0	0	0	0	0	112.4
166	E	27.5	Very low	28.8	Very low	187 Å²	187	149.7 Å²	149.7	87%	0.874	79%	0.787	S	S	*	*			trans	-85.4	150.4	-161.4	-50.5	169.4	133.7	0	0	115.2
167	R	27.8	Very low	28.7	Very low	220 Å²	220	150.5 Å²	150.5	83%	0.83	79%	0.792	S	S	*	*				169.1	136.1	126.6	-96.7	172.9	-177.9	-153.8	-0.9	115.5
168	F	26.5	Very low	28.5	Very low	179 Å²	179	152.4 Å²	152.4	79%	0.785	81%	0.807	S	S	*	*			trans	60.8	162.9	154.3	-65.7	-60.9	0	0	0	118.9
169	I	27.2	Very low	28.4	Very low	138 Å²	138	155.7 Å²	155.7	71%	0.708	82%	0.82	S	S	*	*			cis	-154.3	154	21.2	-144.5	148.6	0	0	0	113.4
170	T	30.7	Very low	28.1	Very low	117 Å²	117	147.7 Å²	147.7	72%	0.718	81%	0.808	S	S	*	*			trans	46.1	160.1	164.8	61.4	0	0	0	0	122.4
171	P	31.3	Very low	27.8	Very low	127 Å²	127	149 Å²	149	83%	0.825	81%	0.813	S	S	*	*				-129.3	-170.1	96.6	40.7	-33.2	0	0	0	114.5
172	Q	25	Very low	27.5	Very low	192 Å²	192	147.9 Å²	147.9	90%	0.897	81%	0.81	S	S	*	*			trans	-94.6	169.4	-164.9	-60.2	170.7	-77.8	0	0	115.2
173	A	28.4	Very low	27.4	Very low	99 Å²	99	146.2 Å²	146.2	82%	0.818	81%	0.81	S	S	*	*			trans	-86.6	160.5	169.6	0	0	0	0	0	113.1
174	T	27.1	Very low	27.2	Very low	150 Å²	150	144.2 Å²	144.2	92%	0.92	81%	0.807	S	S	*	*			trans	-137.9	150.5	168.5	47.5	0	0	0	0	111.2
175	S	27.3	Very low	27.1	Very low	105 Å²	105	150 Å²	150	73%	0.734	80%	0.804	S	S	*	*			trans	-125.5	140.2	177.1	-170.4	0	0	0	0	108.1
176	T	28	Very low	27.1	Very low	116 Å²	116	152.4 Å²	152.4	71%	0.712	80%	0.797	S	S	*	*				-179.1	157	76.8	35.4	0	0	0	0	109.7
177	L	28	Very low	27.2	Very low	169 Å²	169	149.7 Å²	149.7	89%	0.885	79%	0.789	S	S	*	*				157.4	135.2	123.4	-86.1	171.8	0	0	0	111.5
178	T	25.3	Very low	27.3	Very low	144 Å²	144	142.9 Å²	142.9	88%	0.883	78%	0.775	S	S	*	*			trans	-124.5	131.1	177.7	-37.5	0	0	0	0	110.1
179	R	27.2	Very low	27.4	Very low	248 Å²	248	144.2 Å²	144.2	94%	0.936	78%	0.776	S	S	*	*			trans	-137.3	153.9	167.6	-139.7	178.4	-170.1	-164.9	3	109.6
180	A	25.6	Very low	27.5	Very low	85 Å²	85	143.1 Å²	143.1	70%	0.702	78%	0.776	S	S	*	*			trans	-86.7	170.4	-160.9	0	0	0	0	0	115.7
181	Y	24.4	Very low	27.4	Very low	209 Å²	209	146.4 Å²	146.4	82%	0.82	78%	0.783	S	S	*	*			trans	114.2	123.2	160.9	-79.4	-84.1	0	0	0	119
182	N	26	Very low	27.5	Very low	127 Å²	127	146.5 Å²	146.5	68%	0.679	78%	0.781	S	S	*	*			trans	44.5	133	140.2	-70.4	3.1	0	0	0	123.8
183	N	25	Very low	28.6	Very low	147 Å²	147	142.4 Å²	142.4	79%	0.786	77%	0.772	S	S	*	*			trans	68	114.9	136	-77.4	-3.7	0	0	0	122.2
184	S	27.1	Very low	28.9	Very low	103 Å²	103	146.4 Å²	146.4	72%	0.72	77%	0.773	S	S	*	*				83.8	163.7	125.2	-149.5	0	0	0	0	120.3
185	Y	26.8	Very low	29.2	Very low	207 Å²	207	143.4 Å²	143.4	81%	0.812	76%	0.759	S	S	*	*			trans	58.8	94.7	171.6	-80.3	-84.2	0	0	0	120
186	N	27.8	Very low	29.5	Very low	131 Å²	131	145.1 Å²	145.1	70%	0.701	76%	0.755	S	S	*	*				45.1	133.5	102.9	-156.4	61.3	0	0	0	121.5
187	D	28.9	Very low	29.7	Very low	131 Å²	131	149.1 Å²	149.1	70%	0.701	76%	0.759	S	S	*	*			trans	97.5	157.5	145	-112.2	-51.2	0	0	0	123.3
188	S	29.7	Very low	30.1	Very low	76 Å²	76	146.6 Å²	146.6	53%	0.531	75%	0.745	S	S	.	*			trans	-72.5	166.8	-159.3	46.4	0	0	0	0	119.2
189	Y	28.1	Very low	30.6	Very low	207 Å²	207	149 Å²	149	81%	0.812	74%	0.737	S	S	*	*				-178.7	122.3	105.5	-104.8	-111.2	0	0	0	108.1
190	V	30.3	Very low	30.8	Very low	116 Å²	116	142.6 Å²	142.6	70%	0.703	72%	0.718	S	S	*	*				76	119	82.1	169.1	0	0	0	0	114.9
191	E	27.1	Very low	31.1	Very low	185 Å²	185	148.1 Å²	148.1	86%	0.864	72%	0.722	S	S	*	*				-167.2	154.2	122.9	-127.7	171.2	-161.1	0	0	113.8
192	T	34.1	Very low	31.6	Very low	129 Å²	129	141.1 Å²	141.1	79%	0.791	71%	0.713	S	S	*	*			trans	-145.5	159.1	170	53.2	0	0	0	0	108.4
193	P	48	Very low	31.8	Very low	107 Å²	107	143.1 Å²	143.1	70%	0.695	72%	0.723	S	S	*	*				-158.3	160.5	109.7	38.4	-19.4	0	0	0	118.3
194	E	35.2	Very low	32.1	Very low	182 Å²	182	143.9 Å²	143.9	85%	0.85	72%	0.722	S	S	*	*			trans	58	166.8	142.2	-71.1	179.5	-177.5	0	0	122.2
195	S	34.1	Very low	32.2	Very low	88 Å²	88	144.5 Å²	144.5	62%	0.615	72%	0.717	S	S	*	*			cis	-167.4	-178.6	-35.1	66.7	0	0	0	0	108.1
196	Q	33.4	Very low	32.3	Very low	140 Å²	140	137.7 Å²	137.7	65%	0.654	71%	0.709	S	S	*	*			cis	-165.2	-158	5.6	-142.6	-179.1	111.3	0	0	111
197	Y	30.8	Very low	32.3	Very low	201 Å²	201	139.9 Å²	139.9	79%	0.788	71%	0.709	S	S	*	*			trans	83.9	129.1	168.5	-67.6	-91.1	0	0	0	119.8
198	I	36.5	Very low	32.4	Very low	115 Å²	115	138.3 Å²	138.3	59%	0.59	70%	0.704	S	S	*	*			cis	103.4	126.6	16.7	-68.4	171.6	0	0	0	112.7
199	R	36.8	Very low	32.5	Very low	194 Å²	194	139.9 Å²	139.9	73%	0.732	71%	0.707	S	S	*	*			cis	-169.3	-178.4	7.1	-130.9	-162.6	-152	-179.7	4	116.4
200	H	31.7	Very low	32.6	Very low	114 Å²	114	136.6 Å²	136.6	53%	0.528	70%	0.702	S	S	.	*			trans	76.5	158.2	154.4	-79.1	-64.9	0	0	0	117.5
201	Y	32.1	Very low	32.6	Very low	202 Å²	202	137 Å²	137	79%	0.792	71%	0.705	S	S	*	*			cis	-156.9	153.3	-2.4	-120.2	-55.4	0	0	0	108
202	G	34.2	Very low	32.8	Very low	61 Å²	61	134.8 Å²	134.8	63%	0.629	70%	0.7	S	S	*	*			cis	142.2	66.1	-21.4	0	0	0	0	0	117.6
203	L	30.1	Very low	32.7	Very low	169 Å²	169	135.5 Å²	135.5	89%	0.885	70%	0.698	S	S	*	*			trans	-132.1	117.6	155.3	-102	93.2	0	0	0	108.4
204	H	32.3	Very low	31.8	Very low	164 Å²	164	142 Å²	142	76%	0.759	71%	0.711	S	S	*	*				72.1	124.2	68.6	-116.9	26.1	0	0	0	114
205	D	28.3	Very low	31.4	Very low	115 Å²	115	136 Å²	136	62%	0.615	70%	0.699	S	S	*	*			cis	-159.7	176.8	-7.5	-143.6	41.3	0	0	0	110.6	Y207	D205-Y207 WeakPolarHBondContact OD2-CD2 3.41Å
206	G	28.5	Very low	31.3	Very low	64 Å²	64	137.4 Å²	137.4	66%	0.66	71%	0.708	S	S	*	*			cis	-168.4	-158.3	3.6	0	0	0	0	0	107.8
207	Y	29.2	Very low	31	Very low	177 Å²	177	138.1 Å²	138.1	69%	0.694	72%	0.716	S	S	*	*			cis	-160.9	125.2	-9.4	-157.6	-97.1	0	0	0	104.4	D205 D209	D205-Y207 WeakPolarHBondContact OD2-CD2 3.41Å; Y207-D209 VanDerWaalsContact CE1-OD2 3.31Å; Y207-D209 WeakPolarHBondContact CE1-OD2 3.45Å
208	T	29.8	Very low	30.9	Very low	98 Å²	98	133.3 Å²	133.3	60%	0.601	71%	0.711	S	S	*	*				43.7	140.6	95.5	30.2	0	0	0	0	115.7
209	D	32.1	Very low	30.7	Very low	110 Å²	110	140.1 Å²	140.1	59%	0.588	73%	0.73	S	S	*	*			cis	-152.2	162.1	30.3	-88.8	-57.2	0	0	0	109.3	Y207	Y207-D209 VanDerWaalsContact CE1-OD2 3.31Å; Y207-D209 WeakPolarHBondContact CE1-OD2 3.45Å
210	L	30.4	Very low	30.3	Very low	137 Å²	137	134.1 Å²	134.1	72%	0.717	73%	0.728	S	S	*	*			cis	-160.1	-156.6	-13.1	-154.7	47	0	0	0	105
211	T	29.8	Very low	30.2	Very low	124 Å²	124	135.1 Å²	135.1	76%	0.761	74%	0.742	S	S	*	*			cis	-161.4	172.8	11.7	-24.8	0	0	0	0	109.9
212	D	31.9	Very low	29.9	Very low	140 Å²	140	132.2 Å²	132.2	75%	0.749	74%	0.74	S	S	*	*			trans	-91	171	-164	-63.9	-86.6	0	0	0	119.9
213	N	31.7	Very low	29.5	Very low	143 Å²	143	138.3 Å²	138.3	77%	0.765	75%	0.749	S	S	*	*			trans	-21.2	148.9	161.5	-63.3	-42.9	0	0	0	119.5
214	Y	28.2	Very low	29.4	Very low	243 Å²	243	141.6 Å²	141.6	95%	0.953	75%	0.75	S	S	*	*				-159.5	168.8	121.3	-125.9	-89.8	0	0	0	111
215	G	28.5	Very low	30.4	Very low	58 Å²	58	139 Å²	139	60%	0.598	75%	0.748	S	S	*	*			trans	-145.2	-173.9	-178.6	0	0	0	0	0	115.9
216	S	30.8	Very low	31.4	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	75%	0.753	S	S	*	*			trans	89.2	106.6	169.3	-60.6	0	0	0	0	121
217	L	27.7	Very low	31.6	Very low	156 Å²	156	147.3 Å²	147.3	82%	0.817	77%	0.765	S	S	*	*				65.5	109.3	126.8	-61.5	172.3	0	0	0	123.2
218	S	29	Very low	31.5	Very low	99 Å²	99	147.8 Å²	147.8	69%	0.692	77%	0.767	S	S	*	*				81.3	140.3	117.8	-62.5	0	0	0	0	123.3
219	R	31.3	Very low	32.4	Very low	259 Å²	259	148.3 Å²	148.3	98%	0.977	77%	0.772	S	S	*	*			trans	70.2	144	176.5	-52.2	179.1	178.5	-175.5	0.5	114.5
220	G	28	Very low	32.2	Very low	68 Å²	68	153.3 Å²	153.3	70%	0.701	78%	0.784	S	S	*	*			cis	157.5	164.4	-9.9	0	0	0	0	0	113.1
221	V	29.8	Very low	32.2	Very low	134 Å²	134	152.9 Å²	152.9	81%	0.812	78%	0.78	S	S	*	*			trans	80.9	93.8	157.9	-172.7	0	0	0	0	119.3
222	N	26.7	Very low	32.9	Very low	141 Å²	141	152.3 Å²	152.3	75%	0.754	78%	0.779	S	S	*	*				88.4	148	126.9	-80.8	-8.1	0	0	0	126.9
223	F	25.9	Very low	32.7	Very low	189 Å²	189	152.5 Å²	152.5	83%	0.829	78%	0.78	S	S	*	*			trans	82.6	81.7	147	-97.2	-112.9	0	0	0	123.3
224	R	27	Very low	32.4	Very low	239 Å²	239	150.5 Å²	150.5	90%	0.902	78%	0.777	S	S	*	*				46.2	155.7	121.6	-82.7	-157.7	170.7	-164.8	-1.2	124.1
225	P	53.6	Low	32.3	Very low	110 Å²	110	150.3 Å²	150.3	71%	0.714	78%	0.776	S	S	*	*			trans	-108.9	-165.7	-157.3	43.2	-33.6	0	0	0	114.4
226	P	50.4	Low	32.3	Very low	111 Å²	111	158.2 Å²	158.2	72%	0.721	79%	0.788	S	S	*	*				-155.6	161	95.6	42.3	-24.2	0	0	0	120.1
227	R	32.5	Very low	33.1	Very low	242 Å²	242	158 Å²	158	91%	0.913	78%	0.784	S	S	*	*			trans	101.6	131.6	151.2	-52.7	-150.6	172	-165.1	-3.8	121.2
228	Y	27.5	Very low	33	Very low	186 Å²	186	158.6 Å²	158.6	73%	0.729	78%	0.782	S	S	*	*			trans	-94.7	179.9	171.9	-102.7	-115.3	0	0	0	109.9	M231	Y228-M231 HydrophobicContact CE1-CG 4.24Å
229	P	48	Very low	32.9	Very low	110 Å²	110	159.5 Å²	159.5	71%	0.714	78%	0.78	S	S	*	*			cis	-127.2	176.9	21.6	29.7	-5	0	0	0	114.7
230	Y	27.5	Very low	32.7	Very low	215 Å²	215	151.6 Å²	151.6	84%	0.843	76%	0.764	S	S	*	*			cis	-148.8	176	41.9	-134.2	-99	0	0	0	113.3
231	M	30.9	Very low	32.7	Very low	127 Å²	127	158.7 Å²	158.7	63%	0.626	77%	0.771	S	S	*	*			trans	-142.1	-177.9	-174.2	-92.1	-79.1	-178.5	0	0	109.4	Y228	Y228-M231 HydrophobicContact CE1-CG 4.24Å
232	P	43.8	Very low	32.6	Very low	113 Å²	113	159 Å²	159	73%	0.734	77%	0.773	S	S	*	*			cis	-122	-159.6	-1.5	46.3	-30.9	0	0	0	110.9
233	N	27.1	Very low	33.1	Very low	144 Å²	144	159.8 Å²	159.8	77%	0.77	78%	0.777	S	S	*	*			cis	-153.5	145.6	-1.5	-160.8	2	0	0	0	111.1
234	S	26.2	Very low	33.4	Very low	101 Å²	101	156.9 Å²	156.9	71%	0.706	78%	0.777	S	S	*	*			trans	163.6	132	148	40.2	0	0	0	0	110.2
235	Y	26.9	Very low	33.3	Very low	238 Å²	238	152.5 Å²	152.5	93%	0.933	77%	0.77	S	S	*	*			trans	-155.3	157.5	167.3	-124.8	-84.3	0	0	0	115.4
236	R	27.2	Very low	32.1	Very low	225 Å²	225	158.2 Å²	158.2	85%	0.849	78%	0.777	S	S	*	*			trans	-82.2	173.9	171.7	-113.9	-168.3	168.3	-157.6	-0.7	111.8
237	P	47.8	Very low	31	Very low	111 Å²	111	161 Å²	161	72%	0.721	78%	0.778	S	S	*	*			trans	-87	164.8	-177.6	37.2	-36.4	0	0	0	113.7
238	E	25.6	Very low	30.9	Very low	168 Å²	168	155.5 Å²	155.5	79%	0.785	77%	0.767	S	S	*	*				-179	153.2	124.3	-106.2	-171.6	167.2	0	0	116.2
239	N	27.6	Very low	30.9	Very low	119 Å²	119	153.5 Å²	153.5	64%	0.636	77%	0.769	S	S	*	*			trans	68.3	104.3	140.8	-64.1	-19.3	0	0	0	125.2
240	S	27	Very low	30	Very low	93 Å²	93	156.5 Å²	156.5	65%	0.65	77%	0.767	S	S	*	*				103.7	139	108.5	-63	0	0	0	0	124.8
241	Y	28.6	Very low	30	Very low	217 Å²	217	149.5 Å²	149.5	85%	0.851	76%	0.76	S	S	*	*			trans	89	141.6	150.4	-72.5	-61	0	0	0	125.2
242	T	27.1	Very low	29.9	Very low	140 Å²	140	150.2 Å²	150.2	86%	0.859	76%	0.761	S	S	*	*			trans	83.5	143.1	156	21.9	0	0	0	0	122.1
243	L	38.1	Very low	29.2	Very low	158 Å²	158	151.4 Å²	151.4	83%	0.827	77%	0.766	S	S	*	*			trans	-101.5	157.5	-179.3	-64.6	167.9	0	0	0	111.9
244	P	31	Very low	29.3	Very low	128 Å²	128	149.2 Å²	149.2	83%	0.831	77%	0.768	S	S	*	*			trans	-128.8	176.1	142.1	37.5	-26.7	0	0	0	113.2
245	I	26.1	Very low	29.6	Very low	147 Å²	147	152.8 Å²	152.8	75%	0.754	77%	0.773	S	S	*	*			trans	-132.7	136	-168.7	-88.9	174.4	0	0	0	112.2
246	R	28.3	Very low	29.9	Very low	229 Å²	229	147.3 Å²	147.3	86%	0.864	77%	0.767	S	S	*	*			trans	76.8	152.4	153.4	-96.9	176.3	178.3	167.5	0.4	123.3
247	K	26.6	Very low	29.9	Very low	170 Å²	170	145.3 Å²	145.3	74%	0.739	77%	0.767	S	S	*	*			trans	74.8	152.1	159.6	-66.1	-168.1	158.1	-77.6	0	119.4
248	D	29.7	Very low	29.1	Very low	126 Å²	126	146.7 Å²	146.7	67%	0.674	77%	0.773	S	S	*	*			cis	-175.9	147.6	-30.3	-86.7	-14.9	0	0	0	104.6
249	D	27.9	Very low	29.2	Very low	145 Å²	145	144.8 Å²	144.8	78%	0.775	78%	0.776	S	S	*	*			cis	-137	-119.6	-17.6	-175.6	11	0	0	0	106.8
250	Y	28.9	Very low	29.3	Very low	173 Å²	173	148.2 Å²	148.2	68%	0.678	79%	0.79	S	S	*	*			cis	-161.6	145.3	-11.9	-172.2	-89.4	0	0	0	108.1	H252	Y250-H252 AromaticContact CE1-CD2 3.78Å; Y250-H252 AromaticContact CE1-NE2 3.4Å; Y250-H252 WeakPolarHBondContact CE1-NE2 3.38Å; Y250-H252 AromaticContact CZ-NE2 3.51Å; Y250-H252 PolarHBondContact OH-CE1 2.82Å; Y250-H252 PolarHBondContact OH-NE2 3.24Å
251	G	27.2	Very low	29.3	Very low	67 Å²	67	147 Å²	147	69%	0.691	79%	0.792	S	S	*	*			trans	151.7	85.1	166.8	0	0	0	0	0	119.7
252	H	28.9	Very low	29.1	Very low	143 Å²	143	142 Å²	142	66%	0.662	79%	0.789	S	S	*	*			trans	-20.1	144.5	171.5	-51.6	-81.1	0	0	0	121.9	Y250	Y250-H252 AromaticContact CE1-CD2 3.78Å; Y250-H252 AromaticContact CE1-NE2 3.4Å; Y250-H252 WeakPolarHBondContact CE1-NE2 3.38Å; Y250-H252 AromaticContact CZ-NE2 3.51Å; Y250-H252 PolarHBondContact OH-CE1 2.82Å; Y250-H252 PolarHBondContact OH-NE2 3.24Å
253	V	29.5	Very low	29.1	Very low	138 Å²	138	139.8 Å²	139.8	84%	0.836	78%	0.779	S	S	*	*				175.2	142.4	102.1	153.9	0	0	0	0	113.5
254	A	30.3	Very low	28.5	Very low	97 Å²	97	136.7 Å²	136.7	80%	0.802	77%	0.767	S	S	*	*			trans	72.6	140.1	160.3	0	0	0	0	0	123
255	Q	31.3	Very low	28.3	Very low	176 Å²	176	135.5 Å²	135.5	82%	0.822	76%	0.757	S	S	*	*			trans	-135.1	157.6	165.7	-77.8	-173.6	-22.4	0	0	109.6
256	P	34.2	Very low	28.3	Very low	123 Å²	123	133.2 Å²	133.2	80%	0.799	75%	0.747	S	S	*	*			trans	-118.6	117.9	141.1	33.2	-22.9	0	0	0	109.6
257	Q	26.7	Very low	28.4	Very low	183 Å²	183	129.1 Å²	129.1	86%	0.855	74%	0.741	S	S	*	*				61.8	121.7	75.1	-72.1	-164.4	-18.3	0	0	115.8
258	V	30.8	Very low	28.3	Very low	140 Å²	140	127.5 Å²	127.5	85%	0.848	74%	0.74	S	S	*	*			trans	-108.9	142.2	173.3	-80.6	0	0	0	0	110.8
259	P	28.6	Very low	28.2	Very low	129 Å²	129	133.2 Å²	133.2	84%	0.838	75%	0.753	S	S	*	*			trans	-81.1	151.6	172.8	-12.5	29.6	0	0	0	113.6
260	M	28.3	Very low	28.1	Very low	190 Å²	190	131 Å²	131	94%	0.936	75%	0.748	S	S	*	*			trans	-146.5	142	172.5	-97	-76.4	-76.4	0	0	110.4
261	G	26.9	Very low	27.9	Very low	67 Å²	67	131.6 Å²	131.6	69%	0.691	76%	0.757	S	S	*	*			trans	155.8	101.7	173.6	0	0	0	0	0	112.6
262	S	24.1	Very low	28.5	Very low	113 Å²	113	133.2 Å²	133.2	79%	0.79	76%	0.756	S	S	*	*				76.4	92	92.5	-126.9	0	0	0	0	113.8
263	S	27.9	Very low	28.3	Very low	93 Å²	93	132.9 Å²	132.9	65%	0.65	75%	0.754	S	S	*	*				75.5	110.1	92.4	70.8	0	0	0	0	113.8
264	T	25	Very low	28.1	Very low	93 Å²	93	136.1 Å²	136.1	57%	0.571	75%	0.752	S	S	*	*				167.9	156.8	90.8	35	0	0	0	0	107.2	L324	T264-L324 HydrophobicContact CG2-CD1 4.26Å; T264-L324 WeakPolarHBondContact OG1-CD1 3.36Å
265	V	28.2	Very low	27.7	Very low	103 Å²	103	141.1 Å²	141.1	62%	0.624	76%	0.756	S	S	*	*			cis	-144.2	-170.1	-7.2	-102.9	0	0	0	0	105.6	L324	V265-L324 HydrophobicContact CG2-CD1 4.17Å
266	D	25	Very low	27.3	Very low	100 Å²	100	141 Å²	141	54%	0.535	76%	0.755	S	S	.	*			cis	-152.4	-177.7	11.9	-163.8	-134.1	0	0	0	111.5	R321	D266-R321 VanDerWaalsContact CG-CZ 3.48Å; D266-R321 IonicContact OD1-CZ 3.49Å; D266-R321 IonicContact OD1-NE 2.67Å; D266-R321 IonicContact OD1-NH1 3.92Å; D266-R321 PolarHBondContact OD1-NH1 3.09Å; D266-R321 IonicContact OD2-CZ 2.71Å; D266-R321 IonicContact OD2-NE 3.48Å; D266-R321 PolarHBondContact OD2-NE 3.23Å; D266-R321 VanDerWaalsContact OD2-NE 3.08Å; D266-R321 IonicContact OD2-NH1 3.81Å; D266-R321 PolarHBondContact OD2-NH1 2.78Å; D266-R321 IonicContact OD2-NH2 2.78Å; D266-R321 PolarHBondContact OD2-NH2 2.89Å
267	L	29.6	Very low	27.2	Very low	142 Å²	142	140.6 Å²	140.6	74%	0.743	75%	0.752	S	S	*	*			trans	-155.7	115.8	172.3	-130.5	170.8	0	0	0	112.3	R321	L267-R321 VanDerWaalsContact O-CZ 3.3Å; L267-R321 PolarHBondContact O-NH1 3.29Å; L267-R321 PolarHBondContact O-NH2 3.38Å
268	N	25.5	Very low	27.1	Very low	136 Å²	136	140.6 Å²	140.6	73%	0.727	75%	0.753	S	S	*	*			trans	-169.6	103.1	166.1	-114.7	-34	0	0	0	114.4	R321	N268-R321 PolarHBondContact ND2-NH1 3.4Å
269	R	26.6	Very low	27.1	Very low	247 Å²	247	138.7 Å²	138.7	93%	0.932	74%	0.743	S	S	*	*				167.9	158.5	116.9	-161.1	164.4	-169.1	-174.3	2	109.8
270	S	26.8	Very low	27.1	Very low	97 Å²	97	144 Å²	144	68%	0.678	75%	0.748	S	S	*	*			trans	-131.8	135.4	-163.6	53.7	0	0	0	0	114.2
271	Q	24.2	Very low	27	Very low	186 Å²	186	138.6 Å²	138.6	87%	0.869	74%	0.741	S	S	*	*			trans	57.8	173.3	146.4	-71.7	-166.5	8.5	0	0	119.4
272	P	40.7	Very low	27	Very low	102 Å²	102	142.8 Å²	142.8	66%	0.662	75%	0.747	S	S	*	*			cis	-111.9	-155.6	-22.5	28.1	-5.9	0	0	0	109.6
273	E	24.9	Very low	27.2	Very low	135 Å²	135	145.4 Å²	145.4	63%	0.631	75%	0.747	S	S	*	*			cis	-165.2	164.7	19.8	-151.3	178.1	-100.9	0	0	112
274	R	23.9	Very low	27.2	Very low	206 Å²	206	147.6 Å²	147.6	78%	0.777	75%	0.751	S	S	*	*			trans	61	122.3	164.2	-50.4	-173.1	-163.2	-149.4	-7.7	120.7
275	F	23.1	Very low	27.4	Very low	203 Å²	203	151.1 Å²	151.1	89%	0.89	77%	0.766	S	S	*	*				-146.7	171.6	91.2	-138.6	-99.8	0	0	0	112.3
276	Q	22.9	Very low	27.3	Very low	172 Å²	172	155.8 Å²	155.8	80%	0.804	77%	0.773	S	S	*	*			trans	-100.5	169.8	-172.1	-104.5	-179.1	-39.2	0	0	113
277	P	32.6	Very low	27.4	Very low	115 Å²	115	162.7 Å²	162.7	75%	0.747	79%	0.791	S	S	*	*			trans	-82	166.4	-174.6	36.1	-37.8	0	0	0	113.2
278	E	23.5	Very low	27.4	Very low	184 Å²	184	161 Å²	161	86%	0.86	79%	0.791	S	S	*	*			trans	-165.4	169.3	153.7	-100.4	-68.4	93.6	0	0	108.5
279	P	31.6	Very low	27.6	Very low	99 Å²	99	162.9 Å²	162.9	64%	0.643	80%	0.8	S	S	*	*			trans	-106.4	-164.9	-156.1	42.8	-40.8	0	0	0	116.3
280	Y	27.6	Very low	27.5	Very low	241 Å²	241	154.8 Å²	154.8	95%	0.945	79%	0.794	S	S	*	*			trans	-44.3	132.7	175.4	-75	-102.7	0	0	0	114.7
281	G	26.8	Very low	28	Very low	77 Å²	77	155.6 Å²	155.6	79%	0.794	80%	0.797	S	S	*	*			trans	-154.7	153.3	171.5	0	0	0	0	0	111.6
282	L	27.4	Very low	28.2	Very low	154 Å²	154	155.5 Å²	155.5	81%	0.806	80%	0.796	S	S	*	*			trans	-83.2	153.5	-169.6	-79.4	163.1	0	0	0	115.1
283	E	27.4	Very low	27.6	Very low	169 Å²	169	159 Å²	159	79%	0.79	80%	0.804	S	S	*	*			trans	73.2	146.2	141.5	-76.6	167	-152.6	0	0	122.7
284	D	27.9	Very low	27.6	Very low	139 Å²	139	161.2 Å²	161.2	74%	0.743	81%	0.814	S	S	*	*			trans	0.2	135	162.7	-82	15	0	0	0	120
285	D	28.7	Very low	27.7	Very low	166 Å²	166	159.7 Å²	159.7	89%	0.888	82%	0.816	S	S	*	*			trans	-127.4	129.4	143.5	-148.2	-21	0	0	0	112.5
286	R	26.5	Very low	28.3	Very low	202 Å²	202	153.8 Å²	153.8	76%	0.762	80%	0.798	S	S	*	*			trans	-118.7	100.5	177.3	-83.2	-177.5	167.5	-167.4	-0.6	109.2
287	R	28.6	Very low	28.6	Very low	244 Å²	244	155.7 Å²	155.7	92%	0.921	80%	0.799	S	S	*	*			trans	-179.2	167.2	132.6	-104.9	158.7	-104.8	-145.9	-1.6	114.7
288	S	29.3	Very low	28.3	Very low	107 Å²	107	158.3 Å²	158.3	75%	0.748	80%	0.802	S	S	*	*			trans	-116.3	136.2	177.4	-57.1	0	0	0	0	111.8
289	L	28.3	Very low	28.4	Very low	175 Å²	175	156.6 Å²	156.6	92%	0.916	80%	0.797	S	S	*	*			trans	61.9	99.9	142.5	-59.4	172.4	0	0	0	121.8
290	G	25	Very low	28	Very low	77 Å²	77	160 Å²	160	79%	0.794	81%	0.805	S	S	*	*				73.3	178.3	128	0	0	0	0	0	120.7
291	P	36.9	Very low	28.9	Very low	114 Å²	114	153 Å²	153	74%	0.74	79%	0.789	S	S	*	*			cis	-128	173.1	-12.6	41	-26.3	0	0	0	115
292	E	29.7	Very low	28.9	Very low	185 Å²	185	155.7 Å²	155.7	86%	0.864	79%	0.785	S	S	*	*			trans	30.1	164.2	147.1	-62.2	162.4	171	0	0	121.2
293	E	26.6	Very low	28.9	Very low	176 Å²	176	157.7 Å²	157.7	82%	0.822	78%	0.783	S	S	*	*			cis	-145.2	143.1	22	-64.6	169.7	138.8	0	0	108.3
294	E	25.8	Very low	29.1	Very low	181 Å²	181	153.7 Å²	153.7	85%	0.846	77%	0.774	S	S	*	*				99.2	100.6	79.2	-164.9	172.4	-108.9	0	0	117
295	E	24.9	Very low	29.1	Very low	173 Å²	173	153.5 Å²	153.5	81%	0.808	78%	0.778	S	S	*	*			trans	50.7	-176.9	146.6	-103.9	-168.7	-168.4	0	0	122.9
296	P	37.3	Very low	29.2	Very low	79 Å²	79	149.2 Å²	149.2	51%	0.513	77%	0.766	S	S	.	*			cis	-138.4	176.6	-27.2	29.7	-7.3	0	0	0	118.2
297	Y	27.8	Very low	29.3	Very low	213 Å²	213	145.9 Å²	145.9	84%	0.835	76%	0.763	S	S	*	*			trans	68.8	163.4	161.1	-50	-64.6	0	0	0	120.3
298	E	26.2	Very low	29.3	Very low	170 Å²	170	142.7 Å²	142.7	79%	0.794	75%	0.751	S	S	*	*			cis	-138.9	146.5	7.3	-77.2	-172.8	135.4	0	0	115
299	L	26.2	Very low	29.3	Very low	147 Å²	147	147.3 Å²	147.3	77%	0.77	75%	0.752	S	S	*	*			trans	28.3	121.2	141.2	-60.8	163.5	0	0	0	125.6
300	E	22.9	Very low	29.3	Very low	170 Å²	170	145.5 Å²	145.5	79%	0.794	75%	0.748	S	S	*	*				27.2	164.6	105.3	-68.3	-85.2	107.6	0	0	122
301	P	46.1	Very low	29.4	Very low	96 Å²	96	149.5 Å²	149.5	62%	0.623	75%	0.751	S	S	*	*			cis	-145	-172.5	-35.8	41.9	-23.7	0	0	0	114.9
302	D	27.4	Very low	29.7	Very low	133 Å²	133	150.2 Å²	150.2	71%	0.711	76%	0.755	S	S	*	*			trans	-177	158.2	141.9	-110.5	-26.2	0	0	0	110.4
303	Y	28.1	Very low	29.6	Very low	195 Å²	195	144.7 Å²	144.7	77%	0.765	75%	0.748	S	S	*	*			cis	-153.1	151.5	16.9	-132.9	-66.1	0	0	0	111.6
304	S	30	Very low	29.8	Very low	86 Å²	86	142.7 Å²	142.7	60%	0.601	75%	0.748	S	S	*	*			trans	23.2	129	160.6	-73.8	0	0	0	0	123
305	T	28.7	Very low	29.8	Very low	134 Å²	134	140.5 Å²	140.5	82%	0.822	74%	0.742	S	S	*	*				67.4	139.9	55.1	82.6	0	0	0	0	115.3
306	A	30.7	Very low	29.9	Very low	76 Å²	76	143.7 Å²	143.7	63%	0.628	75%	0.747	S	S	*	*			cis	-166.9	168.3	20.1	0	0	0	0	0	115.9
307	N	28.8	Very low	29.5	Very low	132 Å²	132	143.4 Å²	143.4	71%	0.706	76%	0.758	S	S	*	*			trans	69.2	151.5	150.6	-65.1	-46.8	0	0	0	120.3
308	R	28.4	Very low	29.4	Very low	177 Å²	177	143.2 Å²	143.2	67%	0.668	76%	0.756	S	S	*	*			cis	-167.4	137.7	-9.3	-113.5	170.5	-167.1	-150.9	4.6	113.3
309	R	28.6	Very low	29.6	Very low	204 Å²	204	141.5 Å²	141.5	77%	0.77	76%	0.757	S	S	*	*			trans	56.7	157.4	141.8	-60.3	173	-175.6	-166.3	-1.3	118.6
310	T	28.6	Very low	29.7	Very low	137 Å²	137	141.3 Å²	141.3	84%	0.84	75%	0.752	S	S	*	*			cis	-151.2	165.2	13	-23.4	0	0	0	0	112.3
311	L	27.2	Very low	29.9	Very low	162 Å²	162	138.5 Å²	138.5	85%	0.848	73%	0.734	S	S	*	*			trans	-83.4	-176.4	170.5	-70	167.9	0	0	0	111.9
312	P	43.9	Very low	29.3	Very low	128 Å²	128	140.3 Å²	140.3	83%	0.831	73%	0.734	S	S	*	*			cis	-134.9	176.2	2	42.1	-25.1	0	0	0	116.9
313	G	27.1	Very low	29.9	Very low	69 Å²	69	139.6 Å²	139.6	71%	0.711	74%	0.737	S	S	*	*			trans	-171.5	109.1	169.4	0	0	0	0	0	117.4
314	T	30.5	Very low	30.1	Very low	134 Å²	134	134.9 Å²	134.9	82%	0.822	73%	0.725	S	S	*	*			trans	36.9	102.6	153.1	44.9	0	0	0	0	123
315	N	26.6	Very low	30.2	Very low	136 Å²	136	140.9 Å²	140.9	73%	0.727	73%	0.734	S	S	*	*				54.4	120.7	117.9	-86.3	-33.4	0	0	0	123.7
316	R	27.8	Very low	30.2	Very low	239 Å²	239	139.7 Å²	139.7	90%	0.902	72%	0.723	S	S	*	*			trans	69.3	131.8	141.2	-58.7	179.1	-177.7	-166.9	-0.1	119.2
317	G	27.6	Very low	30.1	Very low	73 Å²	73	141.4 Å²	141.4	75%	0.753	73%	0.725	S	S	*	*			cis	165	164.7	-13.4	0	0	0	0	0	117.8
318	R	27.1	Very low	30	Very low	210 Å²	210	143 Å²	143	79%	0.792	73%	0.728	S	S	*	*			trans	65.3	91.1	150.8	-155.3	165.5	-162.1	-160.9	-3.9	119	H320	R318-H320 PolarHBondContact NE-CD2 3.04Å; R318-H320 PolarHBondContact NH2-CD2 2.95Å; R318-H320 PolarHBondContact NH2-NE2 2.77Å
319	T	28.6	Very low	29.9	Very low	133 Å²	133	145 Å²	145	82%	0.816	74%	0.735	S	S	*	*			trans	-58.9	155.8	141.3	45.6	0	0	0	0	111.4
320	H	29	Very low	29.8	Very low	143 Å²	143	140.8 Å²	140.8	66%	0.662	73%	0.733	S	S	*	*			trans	-154.6	149.5	152.7	-122	-86.7	0	0	0	112.5	R318	R318-H320 PolarHBondContact NE-CD2 3.04Å; R318-H320 PolarHBondContact NH2-CD2 2.95Å; R318-H320 PolarHBondContact NH2-NE2 2.77Å
321	R	27.1	Very low	29.7	Very low	111 Å²	111	146.2 Å²	146.2	42%	0.419	74%	0.737	S	S	.	*			trans	-109.3	171	157.5	-151.2	-170.5	-168.3	142.7	15.4	108.5	D266 L267 N268	D266-R321 VanDerWaalsContact CG-CZ 3.48Å; D266-R321 IonicContact OD1-CZ 3.49Å; D266-R321 IonicContact OD1-NE 2.67Å; D266-R321 IonicContact OD1-NH1 3.92Å; D266-R321 PolarHBondContact OD1-NH1 3.09Å; D266-R321 IonicContact OD2-CZ 2.71Å; D266-R321 IonicContact OD2-NE 3.48Å; D266-R321 PolarHBondContact OD2-NE 3.23Å; D266-R321 VanDerWaalsContact OD2-NE 3.08Å; D266-R321 IonicContact OD2-NH1 3.81Å; D266-R321 PolarHBondContact OD2-NH1 2.78Å; D266-R321 IonicContact OD2-NH2 2.78Å; D266-R321 PolarHBondContact OD2-NH2 2.89Å; L267-R321 VanDerWaalsContact O-CZ 3.3Å; L267-R321 PolarHBondContact O-NH1 3.29Å; L267-R321 PolarHBondContact O-NH2 3.38Å; N268-R321 PolarHBondContact ND2-NH1 3.4Å
322	E	32.4	Very low	29.7	Very low	134 Å²	134	141.9 Å²	141.9	63%	0.626	73%	0.732	S	S	*	*			trans	-16	145.4	151.9	-62.6	-64	135.1	0	0	115.5
323	P	41.7	Very low	29	Very low	118 Å²	118	146.8 Å²	146.8	77%	0.766	74%	0.735	S	S	*	*				-145.7	177.2	97.1	40.4	-25.7	0	0	0	116.2
324	L	31.4	Very low	30.1	Very low	97 Å²	97	147.9 Å²	147.9	51%	0.508	73%	0.73	S	S	.	*			trans	-95.3	165.7	-175.1	-73.5	141	0	0	0	114.9	T264 V265	T264-L324 HydrophobicContact CG2-CD1 4.26Å; T264-L324 WeakPolarHBondContact OG1-CD1 3.36Å; V265-L324 HydrophobicContact CG2-CD1 4.17Å
325	R	33.3	Very low	30.2	Very low	211 Å²	211	148.8 Å²	148.8	80%	0.796	73%	0.73	S	S	*	*			trans	86.1	136.5	145	-92.5	179.7	177.5	-96.8	6.1	122.3
326	D	28	Very low	30.5	Very low	109 Å²	109	149.7 Å²	149.7	58%	0.583	74%	0.735	S	S	*	*			trans	69.7	101.6	140.5	-62.2	-35.5	0	0	0	123.4
327	V	27.8	Very low	31.5	Very low	113 Å²	113	143 Å²	143	69%	0.685	72%	0.723	S	S	*	*				79.3	118.3	118.3	174.4	0	0	0	0	120.5
328	H	27.5	Very low	31.8	Very low	164 Å²	164	146.1 Å²	146.1	76%	0.759	72%	0.72	S	S	*	*			trans	92.8	118.6	148.4	-80.9	3.7	0	0	0	123
329	R	26.7	Very low	32	Very low	219 Å²	219	144.1 Å²	144.1	83%	0.826	72%	0.72	S	S	*	*			trans	90.3	112.7	134.7	-76.2	-174.2	174.1	-165.4	-1.7	122.3
330	V	26.7	Very low	32.3	Very low	117 Å²	117	141.4 Å²	141.4	71%	0.709	71%	0.711	S	S	*	*				89.9	120.2	126	173.5	0	0	0	0	120.1
331	R	26.5	Very low	32.6	Very low	250 Å²	250	142.7 Å²	142.7	94%	0.943	72%	0.717	S	S	*	*			trans	63.7	145.6	164.3	-77.1	171.5	167.5	167.8	-5.5	117
332	G	26.9	Very low	33	Very low	71 Å²	71	143.3 Å²	143.3	73%	0.732	73%	0.728	S	S	*	*			cis	-171.9	169.8	-2.9	0	0	0	0	0	113.7
333	Y	28.4	Very low	33.1	Very low	231 Å²	231	143.9 Å²	143.9	91%	0.906	73%	0.734	S	S	*	*			trans	-63.1	171.6	171.8	-88.1	-125.1	0	0	0	113
334	P	51.7	Low	32.6	Very low	92 Å²	92	144.4 Å²	144.4	60%	0.597	73%	0.73	S	S	*	*			cis	-136.2	-176.8	-25.3	29.4	-6.4	0	0	0	113.2
335	D	31.9	Very low	32.6	Very low	153 Å²	153	145.5 Å²	145.5	82%	0.818	73%	0.733	S	S	*	*				169.7	142.3	107.4	-90.2	-37.4	0	0	0	114.4
336	D	31.9	Very low	32.4	Very low	155 Å²	155	144.7 Å²	144.7	83%	0.829	73%	0.73	S	S	*	*			trans	-89.1	-165.3	173	-89.4	-49.3	0	0	0	109.3
337	P	49	Very low	32.3	Very low	100 Å²	100	148.1 Å²	148.1	65%	0.649	74%	0.742	S	S	*	*			cis	-149.3	-168	12.9	47.1	-26.5	0	0	0	117.8
338	I	35	Very low	33.6	Very low	137 Å²	137	147.2 Å²	147.2	70%	0.703	74%	0.739	S	S	*	*			trans	67.8	129.1	152.4	-75.7	167.3	0	0	0	115.6
339	E	31.6	Very low	33.7	Very low	169 Å²	169	149.5 Å²	149.5	79%	0.79	74%	0.742	S	S	*	*			cis	-165.2	-170.2	-0.2	-123.5	162.7	-148.1	0	0	107.9
340	A	33.5	Very low	33.8	Very low	75 Å²	75	146.1 Å²	146.1	62%	0.62	74%	0.739	S	S	*	*			cis	-161.3	176.7	7.4	0	0	0	0	0	111.7
341	E	35.7	Very low	33.8	Very low	171 Å²	171	148.9 Å²	148.9	80%	0.799	74%	0.744	S	S	*	*			trans	25.4	144.5	142.4	-57.9	-156	145	0	0	123.1
342	L	35.3	Very low	34	Very low	124 Å²	124	140.4 Å²	140.4	65%	0.649	73%	0.734	S	S	*	*			cis	-167.2	159.1	-3.5	-108.5	169.8	0	0	0	110.6
343	I	34.3	Very low	34	Very low	146 Å²	146	143.9 Å²	143.9	75%	0.749	73%	0.733	S	S	*	*			trans	66.7	135.6	148.1	-77.4	160.1	0	0	0	119.7
344	D	30.9	Very low	34.1	Very low	128 Å²	128	142.2 Å²	142.2	68%	0.684	73%	0.726	S	S	*	*			cis	-163.6	173.7	-15.7	-164.7	25.1	0	0	0	112.9
345	E	32.4	Very low	33	Very low	121 Å²	121	143.7 Å²	143.7	57%	0.565	74%	0.739	S	S	*	*			trans	-41.5	177.4	170.2	-71.2	178.8	119.1	0	0	119.1
346	R	28.5	Very low	32.7	Very low	193 Å²	193	140.9 Å²	140.9	73%	0.728	74%	0.737	S	S	*	*			cis	-152.9	144.6	6.7	-113.6	138.4	-163.3	-178.5	21.5	106.5
347	H	26.8	Very low	33.2	Very low	182 Å²	182	138.8 Å²	138.8	84%	0.843	73%	0.732	S	S	*	*				79.4	151.9	67.5	-80.7	35.7	0	0	0	116.5
348	P	54.3	Low	32.3	Very low	94 Å²	94	142 Å²	142	61%	0.61	74%	0.742	S	S	*	*			trans	-122	-171.1	-136.2	44.5	-35.6	0	0	0	116.1
349	Y	29.5	Very low	31.9	Very low	212 Å²	212	139.6 Å²	139.6	83%	0.831	74%	0.743	S	S	*	*			trans	163.9	156	131.2	-97.4	-64.7	0	0	0	117.4
350	I	28.8	Very low	31.8	Very low	147 Å²	147	140.4 Å²	140.4	75%	0.754	75%	0.747	S	S	*	*			trans	59.6	128.7	154.6	-62.8	-70.5	0	0	0	118.1
351	H	27.9	Very low	31.7	Very low	176 Å²	176	142.7 Å²	142.7	82%	0.815	76%	0.755	S	S	*	*			cis	95.9	111	27.5	-164.7	101.3	0	0	0	115.4
352	G	29	Very low	31.5	Very low	71 Å²	71	143.3 Å²	143.3	73%	0.732	76%	0.758	S	S	*	*			trans	167.4	157.2	175.4	0	0	0	0	0	116.1
353	M	28.1	Very low	31.4	Very low	145 Å²	145	148.3 Å²	148.3	71%	0.714	77%	0.768	S	S	*	*			trans	-131.1	173.2	-169.5	-44.5	178	85.5	0	0	110.4
354	Y	29.6	Very low	31.2	Very low	196 Å²	196	145.3 Å²	145.3	77%	0.769	77%	0.774	S	S	*	*			cis	-157.3	161.6	16.1	-101.5	-70.3	0	0	0	109.3
355	S	28.8	Very low	31.2	Very low	123 Å²	123	144.3 Å²	144.3	86%	0.86	78%	0.777	S	S	*	*			trans	151	157.7	134.4	-68.9	0	0	0	0	115.6
356	A	26.3	Very low	31.1	Very low	94 Å²	94	147.3 Å²	147.3	78%	0.777	79%	0.793	S	S	*	*			trans	-129.7	-168.7	176.5	0	0	0	0	0	108.7
357	P	42.9	Very low	31.2	Very low	111 Å²	111	142.7 Å²	142.7	72%	0.721	80%	0.796	S	S	*	*			cis	-139.2	174.1	-0.6	38.2	-18	0	0	0	116.5
358	L	28.3	Very low	31.6	Very low	166 Å²	166	139.7 Å²	139.7	87%	0.869	80%	0.796	S	S	*	*				166.7	147.9	120.3	-90.4	170.3	0	0	0	115.1
359	A	26.6	Very low	30.7	Very low	88 Å²	88	142.5 Å²	142.5	73%	0.727	81%	0.805	S	S	*	*			trans	75.3	130.5	153	0	0	0	0	0	122.7
360	Q	30.3	Very low	31.1	Very low	185 Å²	185	139.9 Å²	139.9	86%	0.864	81%	0.805	S	S	*	*			trans	84.6	143.2	156.3	-54	-110.2	9.5	0	0	118.8
361	P	32.6	Very low	31.6	Very low	123 Å²	123	144.3 Å²	144.3	80%	0.799	81%	0.813	S	S	*	*			trans	-100.4	97.6	-169.2	37.3	-31.4	0	0	0	113.9
362	E	29.6	Very low	32.2	Very low	184 Å²	184	144 Å²	144	86%	0.86	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-81	161.9	171	-89.6	-76.2	118	0	0	113
363	R	34.1	Very low	32.8	Very low	229 Å²	229	145.6 Å²	145.6	86%	0.864	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-70.1	132.5	-168.8	-65.2	171.3	175.5	171.7	-2.1	113.2	S365	R363-S365 PolarHBondContact O-N 3.25Å
364	G	29.9	Very low	33.3	Very low	84 Å²	84	141.9 Å²	141.9	87%	0.866	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-62	119.3	165.5	0	0	0	0	0	111.1
365	S	30.5	Very low	33.7	Very low	106 Å²	106	143.7 Å²	143.7	74%	0.741	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-86.9	142	-167.2	-172.2	0	0	0	0	114.1	R363 A367	R363-S365 PolarHBondContact O-N 3.25Å; S365-A367 VanDerWaalsContact C-N 3.26Å; S365-A367 PolarHBondContact O-N 2.9Å
366	M	30.6	Very low	34.1	Very low	184 Å²	184	149.7 Å²	149.7	91%	0.906	83%	0.828	S	S	*	*			trans	-79.3	69.2	170.3	-72.4	178.6	60.9	0	0	111.2	S368	M366-S368 PolarHBondContact O-N 2.95Å
367	A	30	Very low	34.8	Very low	97 Å²	97	150.5 Å²	150.5	80%	0.802	83%	0.828	S	S	*	*			trans	-78.4	76.1	-177.9	0	0	0	0	0	113.1	S365	S365-A367 VanDerWaalsContact C-N 3.26Å; S365-A367 PolarHBondContact O-N 2.9Å
368	S	35.2	Very low	35	Very low	118 Å²	118	150.1 Å²	150.1	83%	0.825	83%	0.826	S	S	*	*			trans	-164.2	72.4	157.8	-165.3	0	0	0	0	112.4	M366	M366-S368 PolarHBondContact O-N 2.95Å
369	L	36.1	Very low	36	Very low	153 Å²	153	145.2 Å²	145.2	80%	0.801	81%	0.805	S	S	*	*			trans	-128.7	-3.8	171.7	-107.5	169.4	0	0	0	114.6	R371	L369-R371 PolarHBondContact O-N 3.19Å
370	D	38	Very low	37.2	Very low	158 Å²	158	146.7 Å²	146.7	85%	0.845	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	40.6	-179.8	-74	-53	0	0	0	114.6
371	R	39.9	Very low	38	Very low	240 Å²	240	142.2 Å²	142.2	91%	0.906	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	39.7	166.3	-76.5	-158.9	175.9	-152.3	-0.1	113.7	L369	L369-R371 PolarHBondContact O-N 3.19Å
372	M	39.7	Very low	38.8	Very low	169 Å²	169	139.4 Å²	139.4	83%	0.833	77%	0.765	S	S	*	*			trans	-145	18.8	159.2	-138.6	60.8	166.3	0	0	115.3	G374	M372-G374 PolarHBondContact O-N 2.82Å
373	A	41.4	Very low	39.8	Very low	104 Å²	104	136.4 Å²	136.4	86%	0.86	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	56	176.2	0	0	0	0	0	113
374	G	38	Very low	40.7	Very low	68 Å²	68	134.6 Å²	134.6	70%	0.701	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	-9.1	-172.9	0	0	0	0	0	115.8	M372	M372-G374 PolarHBondContact O-N 2.82Å
375	R	40	Very low	41.6	Very low	234 Å²	234	139.7 Å²	139.7	88%	0.883	75%	0.745	S	S	*	*	S	Bend	trans	-136	136.4	170.1	-63.2	-165.5	-173.9	-72.8	1.2	109.7	S377	R375-S377 PolarHBondContact O-N 3.25Å
376	R	36.9	Very low	42.4	Very low	249 Å²	249	137.8 Å²	137.8	94%	0.94	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-71.6	125.5	-178.4	-63.2	177.6	-179.5	173	-0.9	109.8
377	S	40.9	Very low	43.4	Very low	111 Å²	111	134.6 Å²	134.6	78%	0.776	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-58.6	142.9	160.1	-49.3	0	0	0	0	109.6	R375	R375-S377 PolarHBondContact O-N 3.25Å
378	P	46.3	Very low	44.8	Very low	103 Å²	103	139.2 Å²	139.2	67%	0.669	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-59	143.3	171.1	-22.2	33.6	0	0	0	111
379	S	48.5	Very low	46.4	Very low	62 Å²	62	145.6 Å²	145.6	43%	0.434	72%	0.722	S	S	.	*	P	Polyproline II helix	trans	-66.6	153.6	170.5	179.6	0	0	0	0	110	D381 S382	S379-D381 PolarHBondContact O-N 3.25Å; S379-D381 VanDerWaalsContact O-N 3.13Å; S379-D381 PolarHBondContact OG-N 3.3Å; S379-S382 VanDerWaalsContact O-CB 3.26Å; S379-S382 WeakPolarHBondContact O-CB 3.35Å; S379-S382 PolarHBondContact O-N 3.2Å
380	I	53.4	Low	48.8	Very low	120 Å²	120	146.5 Å²	146.5	62%	0.615	72%	0.715	S	S	*	*	H	α-helix	trans	-58.6	-23.8	172.2	-158.2	164.3	0	0	0	112.2
381	D	46.1	Very low	51	Low	90 Å²	90	144.6 Å²	144.6	48%	0.481	71%	0.705	S	S	.	*	H	α-helix	trans	-81.1	-16.3	174	-61.3	-49.8	0	0	0	114.1	S379 R384	S379-D381 PolarHBondContact O-N 3.25Å; S379-D381 VanDerWaalsContact O-N 3.13Å; S379-D381 PolarHBondContact OG-N 3.3Å; D381-R384 IonicContact OD1-NH1 2.87Å; D381-R384 PolarHBondContact OD1-NH1 3.16Å
382	S	48.9	Very low	53.5	Low	65 Å²	65	134.8 Å²	134.8	46%	0.455	67%	0.672	S	S	.	*	H	α-helix	trans	-71.7	-38.3	169.7	-55	0	0	0	0	110.9	S379 R384 K385	S379-S382 VanDerWaalsContact O-CB 3.26Å; S379-S382 WeakPolarHBondContact O-CB 3.35Å; S379-S382 PolarHBondContact O-N 3.2Å; S382-R384 PolarHBondContact O-N 2.8Å; S382-K385 PolarHBondContact O-N 3.32Å
383	I	52.3	Low	56.1	Low	121 Å²	121	130.4 Å²	130.4	62%	0.621	65%	0.652	S	S	*	*	H	α-helix	trans	-62.3	-30.7	179.4	-58.8	174.9	0	0	0	111.4	K385	I383-K385 VanDerWaalsContact C-N 3.32Å; I383-K385 PolarHBondContact O-N 3.42Å
384	R	51.2	Low	58.7	Low	191 Å²	191	126.5 Å²	126.5	72%	0.721	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-13.5	178.7	-72.2	-177.5	171.9	127.6	-3.7	115.3	D381 S382	D381-R384 IonicContact OD1-NH1 2.87Å; D381-R384 PolarHBondContact OD1-NH1 3.16Å; S382-R384 PolarHBondContact O-N 2.8Å
385	K	49.1	Very low	61.5	Low	190 Å²	190	126.5 Å²	126.5	83%	0.826	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-6.9	-174.9	-77.7	-169.5	172.5	-175.9	0	114.6	S382 I383	S382-K385 PolarHBondContact O-N 3.32Å; I383-K385 VanDerWaalsContact C-N 3.32Å; I383-K385 PolarHBondContact O-N 3.42Å
386	D	47.8	Very low	64.2	Low	67 Å²	67	118.5 Å²	118.5	36%	0.358	58%	0.577	S	S	.	*			trans	-153.4	98.7	-174.9	-155	-41.2	0	0	0	110.6	R388	D386-R388 VanDerWaalsContact CG-NE 3.31Å; D386-R388 PolarHBondContact O-N 3.26Å; D386-R388 WeakPolarHBondContact OD1-CB 3.47Å; D386-R388 WeakPolarHBondContact OD1-CG 3.27Å; D386-R388 IonicContact OD1-CZ 2.82Å; D386-R388 PolarHBondContact OD1-N 2.78Å; D386-R388 IonicContact OD1-NE 2.66Å; D386-R388 PolarHBondContact OD1-NE 3.09Å; D386-R388 IonicContact OD1-NH2 3.76Å; D386-R388 IonicContact OD2-CZ 3.31Å; D386-R388 VanDerWaalsContact OD2-CZ 3.31Å; D386-R388 IonicContact OD2-NE 3.15Å; D386-R388 PolarHBondContact OD2-NE 3.48Å; D386-R388 VanDerWaalsContact OD2-NE 3.15Å; D386-R388 IonicContact OD2-NH2 3.52Å; D386-R388 PolarHBondContact OD2-NH2 2.89Å
387	P	51.8	Low	67.1	Low	117 Å²	117	106.7 Å²	106.7	76%	0.76	53%	0.532	S	S	*	.			trans	-78.6	29.1	-178.7	34.9	-36.7	0	0	0	112.6	W389	P387-W389 PolarHBondContact O-N 2.8Å
388	R	58.9	Low	69.8	Low	194 Å²	194	102.2 Å²	102.2	73%	0.732	50%	0.499	S	S	*	.			trans	-69.2	101.4	171.5	-83.9	-176.1	-69.6	161.1	-3.9	109.8	D386 R390	D386-R388 VanDerWaalsContact CG-NE 3.31Å; D386-R388 PolarHBondContact O-N 3.26Å; D386-R388 WeakPolarHBondContact OD1-CB 3.47Å; D386-R388 WeakPolarHBondContact OD1-CG 3.27Å; D386-R388 IonicContact OD1-CZ 2.82Å; D386-R388 PolarHBondContact OD1-N 2.78Å; D386-R388 IonicContact OD1-NE 2.66Å; D386-R388 PolarHBondContact OD1-NE 3.09Å; D386-R388 IonicContact OD1-NH2 3.76Å; D386-R388 IonicContact OD2-CZ 3.31Å; D386-R388 VanDerWaalsContact OD2-CZ 3.31Å; D386-R388 IonicContact OD2-NE 3.15Å; D386-R388 PolarHBondContact OD2-NE 3.48Å; D386-R388 VanDerWaalsContact OD2-NE 3.15Å; D386-R388 IonicContact OD2-NH2 3.52Å; D386-R388 PolarHBondContact OD2-NH2 2.89Å; R388-R390 PolarHBondContact O-N 3.06Å
389	W	68.3	Low	72.3	Confident	252 Å²	252	100.6 Å²	100.6	96%	0.955	50%	0.495	S	S	*	.			trans	-48	108.5	164.4	-57.4	96.8	0	0	0	109.5	P387	P387-W389 PolarHBondContact O-N 2.8Å
390	R	87.6	Confident	74.6	Confident	172 Å²	172	100.6 Å²	100.6	65%	0.649	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-86	119.5	168.8	174.4	-174.7	173.3	-137.7	-6.1	107.5	R388 P392 E396	R388-R390 PolarHBondContact O-N 3.06Å; R390-P392 WeakPolarHBondContact O-CD 3.29Å; R390-E396 IonicContact CZ-OE1 2.69Å; R390-E396 VanDerWaalsContact CZ-OE1 3.25Å; R390-E396 IonicContact CZ-OE2 2.82Å; R390-E396 VanDerWaalsContact CZ-OE2 3.25Å; R390-E396 IonicContact NH1-OE1 3.06Å; R390-E396 PolarHBondContact NH1-OE1 3.36Å; R390-E396 IonicContact NH1-OE2 3.36Å; R390-E396 PolarHBondContact NH1-OE2 3.28Å; R390-E396 VanDerWaalsContact NH1-OE2 3.15Å; R390-E396 IonicContact NH2-OE1 3.2Å; R390-E396 PolarHBondContact NH2-OE1 3.05Å; R390-E396 IonicContact NH2-OE2 2.77Å; R390-E396 PolarHBondContact NH2-OE2 3.49Å
391	D	84.9	Confident	76.7	Confident	117 Å²	117	95 Å²	95	63%	0.626	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-60.9	121.2	163.6	-72.1	-63.9	0	0	0	109.9	Y415	D391-Y415 PolarHBondContact OD1-OH 2.94Å
392	P	91.5	Very high	79.1	Confident	34 Å²	34	93.4 Å²	93.4	22%	0.221	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-70.9	145.5	173.3	30.3	-33.9	0	0	0	110	R390 E396 V397 M400 Y415	R390-P392 WeakPolarHBondContact O-CD 3.29Å; P392-E396 VanDerWaalsContact CA-OE2 3.28Å; P392-E396 WeakPolarHBondContact CA-OE2 3.4Å; P392-E396 HydrophobicContact CB-CB 4.05Å; P392-V397 HydrophobicContact CB-CG2 3.99Å; P392-V397 HydrophobicContact CG-CG2 3.62Å; P392-M400 HydrophobicContact CB-CE 3.73Å; P392-M400 HydrophobicContact CG-CE 3.84Å; P392-Y415 HydrophobicContact CG-CD1 4.3Å; P392-Y415 HydrophobicContact CG-CE1 3.81Å
393	D	94.1	Very high	81.4	Confident	77 Å²	77	93.6 Å²	93.6	41%	0.412	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-74.4	163.5	176.7	74.9	24.5	0	0	0	112.5	P395 E396 V397	D393-P395 WeakPolarHBondContact OD1-CB 3.27Å; D393-P395 WeakPolarHBondContact OD1-CD 3.36Å; D393-E396 PolarHBondContact N-OE2 2.99Å; D393-E396 WeakPolarHBondContact O-CA 3.12Å; D393-E396 WeakPolarHBondContact O-CB 3.17Å; D393-E396 PolarHBondContact O-N 3.39Å; D393-E396 WeakPolarHBondContact OD1-CB 3.3Å; D393-E396 WeakPolarHBondContact OD1-CG 3.16Å; D393-E396 PolarHBondContact OD1-N 3Å; D393-V397 WeakPolarHBondContact O-CG2 3.45Å; D393-V397 PolarHBondContact O-N 2.9Å
394	L	96.1	Very high	83.5	Confident	23 Å²	23	92.9 Å²	92.9	12%	0.12	46%	0.462	C	S	.	.	H	α-helix	trans	-59.4	-39.9	-174.4	-169.3	66.5	0	0	0	113.2	V397 I398 L416 L419 I426 D429 V430 L433	L394-V397 PolarHBondContact O-N 2.83Å; L394-I398 HydrophobicContact CG-CD1 4.23Å; L394-I398 WeakPolarHBondContact O-CG1 3.35Å; L394-I398 PolarHBondContact O-N 3.43Å; L394-L416 HydrophobicContact CD1-CD1 3.48Å; L394-L416 VanDerWaalsContact CD1-CD1 3.48Å; L394-L419 HydrophobicContact CD1-CD1 4.3Å; L394-I426 HydrophobicContact CD1-CG2 4.11Å; L394-I426 HydrophobicContact CD2-CD1 4.14Å; L394-I426 HydrophobicContact CD2-CG2 4.25Å; L394-D429 HydrophobicContact CD2-CB 3.61Å; L394-V430 HydrophobicContact CD1-CG2 3.84Å; L394-V430 HydrophobicContact CD2-CG2 4.06Å; L394-V430 HydrophobicContact CG-CG2 4.29Å; L394-L433 HydrophobicContact CB-CD1 4.27Å; L394-L433 HydrophobicContact CD2-CD1 3.93Å; L394-L433 HydrophobicContact CG-CD1 3.95Å
395	P	97.3	Very high	85.7	Confident	67 Å²	67	88.4 Å²	88.4	44%	0.435	45%	0.451	S	S	.	.	H	α-helix	trans	-56.8	-47.5	165.6	-27.1	34.4	0	0	0	115	D393 V397 I398 A399 L433	D393-P395 WeakPolarHBondContact OD1-CB 3.27Å; D393-P395 WeakPolarHBondContact OD1-CD 3.36Å; P395-V397 VanDerWaalsContact C-N 3.33Å; P395-V397 PolarHBondContact O-N 2.93Å; P395-I398 PolarHBondContact O-N 3.3Å; P395-A399 WeakPolarHBondContact O-CB 3.48Å; P395-A399 PolarHBondContact O-N 3.25Å; P395-L433 HydrophobicContact CG-CD1 4.01Å; P395-L433 HydrophobicContact CG-CD2 4.31Å
396	E	96.7	Very high	88	Confident	67 Å²	67	80.8 Å²	80.8	31%	0.313	42%	0.42	S	S	.	.	H	α-helix	trans	-58.6	-43.4	176.3	-76.3	174.7	173.1	0	0	111.4	R390 P392 D393 A399 M400	R390-E396 IonicContact CZ-OE1 2.69Å; R390-E396 VanDerWaalsContact CZ-OE1 3.25Å; R390-E396 IonicContact CZ-OE2 2.82Å; R390-E396 VanDerWaalsContact CZ-OE2 3.25Å; R390-E396 IonicContact NH1-OE1 3.06Å; R390-E396 PolarHBondContact NH1-OE1 3.36Å; R390-E396 IonicContact NH1-OE2 3.36Å; R390-E396 PolarHBondContact NH1-OE2 3.28Å; R390-E396 VanDerWaalsContact NH1-OE2 3.15Å; R390-E396 IonicContact NH2-OE1 3.2Å; R390-E396 PolarHBondContact NH2-OE1 3.05Å; R390-E396 IonicContact NH2-OE2 2.77Å; R390-E396 PolarHBondContact NH2-OE2 3.49Å; P392-E396 VanDerWaalsContact CA-OE2 3.28Å; P392-E396 WeakPolarHBondContact CA-OE2 3.4Å; P392-E396 HydrophobicContact CB-CB 4.05Å; D393-E396 PolarHBondContact N-OE2 2.99Å; D393-E396 WeakPolarHBondContact O-CA 3.12Å; D393-E396 WeakPolarHBondContact O-CB 3.17Å; D393-E396 PolarHBondContact O-N 3.39Å; D393-E396 WeakPolarHBondContact OD1-CB 3.3Å; D393-E396 WeakPolarHBondContact OD1-CG 3.16Å; D393-E396 PolarHBondContact OD1-N 3Å; E396-A399 PolarHBondContact O-N 2.9Å; E396-M400 WeakPolarHBondContact O-CG 3.38Å; E396-M400 PolarHBondContact O-N 3.18Å
397	V	97.8	Very high	90.4	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-61.8	-45.6	176.5	176.4	0	0	0	0	111.7	P392 D393 L394 P395 A399 M400 L401 A412 Y415 L416	P392-V397 HydrophobicContact CB-CG2 3.99Å; P392-V397 HydrophobicContact CG-CG2 3.62Å; D393-V397 WeakPolarHBondContact O-CG2 3.45Å; D393-V397 PolarHBondContact O-N 2.9Å; L394-V397 PolarHBondContact O-N 2.83Å; P395-V397 VanDerWaalsContact C-N 3.33Å; P395-V397 PolarHBondContact O-N 2.93Å; V397-A399 VanDerWaalsContact C-N 3.32Å; V397-A399 PolarHBondContact O-N 3.42Å; V397-M400 HydrophobicContact CG2-CE 4.26Å; V397-M400 PolarHBondContact O-N 2.93Å; V397-L401 PolarHBondContact O-N 3.32Å; V397-A412 HydrophobicContact CG1-CB 4.39Å; V397-Y415 HydrophobicContact CG1-CD1 4.23Å; V397-Y415 HydrophobicContact CG2-CD1 3.58Å; V397-Y415 HydrophobicContact CG2-CE1 3.71Å; V397-L416 HydrophobicContact CG1-CB 4.05Å; V397-L416 HydrophobicContact CG1-CD1 4.1Å
398	I	97.7	Very high	92.6	Very high	17 Å²	17	77.6 Å²	77.6	9%	0.087	40%	0.402	C	S	.	.	H	α-helix	trans	-66.5	-35.8	179	-69.8	168.3	0	0	0	111.1	L394 P395 L401 L416 V430 L433	L394-I398 HydrophobicContact CG-CD1 4.23Å; L394-I398 WeakPolarHBondContact O-CG1 3.35Å; L394-I398 PolarHBondContact O-N 3.43Å; P395-I398 PolarHBondContact O-N 3.3Å; I398-L401 WeakPolarHBondContact O-CB 3.21Å; I398-L401 PolarHBondContact O-N 2.94Å; I398-L416 HydrophobicContact CG1-CD2 4.39Å; I398-V430 HydrophobicContact CD1-CG1 4.4Å; I398-V430 HydrophobicContact CD1-CG2 4.34Å; I398-L433 HydrophobicContact CD1-CB 3.5Å; I398-L433 HydrophobicContact CD1-CD1 3.93Å; I398-L433 HydrophobicContact CD1-CG 4.38Å
399	A	97.4	Very high	94.4	Very high	70 Å²	70	69.4 Å²	69.4	58%	0.579	37%	0.372	S	S	*	.	H	α-helix	trans	-65.3	-38.2	172.5	0	0	0	0	0	112.3	P395 E396 V397 L401 G402	P395-A399 WeakPolarHBondContact O-CB 3.48Å; P395-A399 PolarHBondContact O-N 3.25Å; E396-A399 PolarHBondContact O-N 2.9Å; V397-A399 VanDerWaalsContact C-N 3.32Å; V397-A399 PolarHBondContact O-N 3.42Å; A399-L401 VanDerWaalsContact C-N 3.25Å; A399-L401 PolarHBondContact O-N 2.89Å; A399-G402 PolarHBondContact O-N 3.19Å
400	M	97.9	Very high	95.9	Very high	62 Å²	62	57.8 Å²	57.8	31%	0.305	33%	0.329	S	S	.	.	H	α-helix	trans	-65.5	-22.3	178.1	-76.7	-171.3	-68.7	0	0	114.1	P392 E396 V397 G402 H403 V408 A412	P392-M400 HydrophobicContact CB-CE 3.73Å; P392-M400 HydrophobicContact CG-CE 3.84Å; E396-M400 WeakPolarHBondContact O-CG 3.38Å; E396-M400 PolarHBondContact O-N 3.18Å; V397-M400 HydrophobicContact CG2-CE 4.26Å; V397-M400 PolarHBondContact O-N 2.93Å; M400-G402 PolarHBondContact O-N 2.9Å; M400-H403 WeakPolarHBondContact O-CB 3.32Å; M400-H403 PolarHBondContact O-N 3.02Å; M400-H403 VanDerWaalsContact O-N 3.09Å; M400-V408 HydrophobicContact CB-CG1 3.92Å; M400-V408 HydrophobicContact CG-CG1 4.02Å; M400-V408 HydrophobicContact SD-CG1 4.13Å; M400-A412 HydrophobicContact CB-CB 3.68Å
401	L	97.8	Very high	96.3	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30	170.2	-62.2	174.7	0	0	0	112.7	V397 I398 A399 H403 A412 A413 L416 V438 L439 L442	V397-L401 PolarHBondContact O-N 3.32Å; I398-L401 WeakPolarHBondContact O-CB 3.21Å; I398-L401 PolarHBondContact O-N 2.94Å; A399-L401 VanDerWaalsContact C-N 3.25Å; A399-L401 PolarHBondContact O-N 2.89Å; L401-H403 VanDerWaalsContact C-N 3.35Å; L401-A412 HydrophobicContact CD2-CB 3.95Å; L401-A412 HydrophobicContact CG-CB 4.44Å; L401-A413 HydrophobicContact CD2-CB 3.82Å; L401-L416 HydrophobicContact CD1-CD2 4.01Å; L401-V438 HydrophobicContact CB-CG1 3.62Å; L401-V438 HydrophobicContact CD1-CB 4.3Å; L401-V438 HydrophobicContact CD1-CG1 4.2Å; L401-L439 HydrophobicContact CD1-CD2 3.8Å; L401-L439 HydrophobicContact CD1-CG 4.01Å; L401-L439 HydrophobicContact CD2-CD2 3.94Å; L401-L442 HydrophobicContact CB-CD1 4.18Å; L401-L442 HydrophobicContact CD2-CD1 4.14Å
402	G	95.9	Very high	97	Very high	58 Å²	58	49.5 Å²	49.5	60%	0.598	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	0.5	176.6	0	0	0	0	0	114.7	A399 M400	A399-G402 PolarHBondContact O-N 3.19Å; M400-G402 PolarHBondContact O-N 2.9Å
403	H	97.4	Very high	97.3	Very high	68 Å²	68	47.9 Å²	47.9	32%	0.315	29%	0.288	S	S	.	.			trans	-69.9	139.2	-171	-169.6	-99	0	0	0	112.5	M400 L401 I405 V408 K409	M400-H403 WeakPolarHBondContact O-CB 3.32Å; M400-H403 PolarHBondContact O-N 3.02Å; M400-H403 VanDerWaalsContact O-N 3.09Å; L401-H403 VanDerWaalsContact C-N 3.35Å; H403-I405 VanDerWaalsContact C-N 3.29Å; H403-I405 PolarHBondContact ND1-N 3.48Å; H403-I405 PolarHBondContact O-N 3.35Å; H403-V408 HydrophobicContact CB-CB 4.08Å; H403-V408 HydrophobicContact CB-CG1 3.72Å; H403-V408 WeakPolarHBondContact ND1-CB 3.44Å; H403-K409 WeakPolarHBondContact O-CE 3.36Å; H403-K409 VanDerWaalsContact O-CG 3.23Å; H403-K409 WeakPolarHBondContact O-CG 3.35Å; H403-K409 PolarHBondContact O-NZ 3.2Å
404	P	96.3	Very high	97.5	Very high	106 Å²	106	45.7 Å²	45.7	69%	0.688	28%	0.28	S	S	*	.	S	Bend	trans	-59.9	-34.4	-176.5	21	-33.8	0	0	0	113.9	D406 K409	P404-D406 PolarHBondContact O-N 3.04Å; P404-K409 PolarHBondContact O-NZ 3.07Å
405	I	97.3	Very high	97.6	Very high	97 Å²	97	47.6 Å²	47.6	50%	0.497	29%	0.286	S	S	.	.	S	Bend	trans	-77.3	117.3	179.3	-59.2	-178.6	0	0	0	110.6	H403 P407 V408 K409	H403-I405 VanDerWaalsContact C-N 3.29Å; H403-I405 PolarHBondContact ND1-N 3.48Å; H403-I405 PolarHBondContact O-N 3.35Å; I405-P407 HydrophobicContact CG2-CB 4.36Å; I405-P407 HydrophobicContact CG2-CG 4.24Å; I405-V408 HydrophobicContact CB-CG2 4.06Å; I405-V408 HydrophobicContact CG2-CG2 4.1Å; I405-V408 WeakPolarHBondContact O-CB 2.93Å; I405-V408 PolarHBondContact O-N 2.99Å; I405-K409 PolarHBondContact O-N 3.2Å
406	D	97.9	Very high	97.6	Very high	30 Å²	30	44.4 Å²	44.4	16%	0.16	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-42.2	-174.3	-55.3	-41.6	0	0	0	115.2	P404 V408 K409 S410 H445 K447 V450	P404-D406 PolarHBondContact O-N 3.04Å; D406-V408 PolarHBondContact O-N 3.41Å; D406-V408 VanDerWaalsContact O-N 3.15Å; D406-K409 WeakPolarHBondContact O-CA 3.49Å; D406-K409 WeakPolarHBondContact O-CB 3.27Å; D406-K409 PolarHBondContact O-N 2.99Å; D406-K409 IonicContact OD1-NZ 3.16Å; D406-K409 PolarHBondContact OD1-NZ 3.49Å; D406-S410 PolarHBondContact O-N 2.93Å; D406-S410 PolarHBondContact O-OG 3.26Å; D406-H445 IonicContact OD1-CE1 3.21Å; D406-H445 PolarHBondContact OD1-CE1 2.67Å; D406-H445 VanDerWaalsContact OD1-CE1 3.27Å; D406-H445 IonicContact OD1-NE2 2.76Å; D406-H445 PolarHBondContact OD1-NE2 3.03Å; D406-K447 HydrophobicContact CB-CD 4.12Å; D406-K447 WeakPolarHBondContact OD2-CD 3.48Å; D406-K447 VanDerWaalsContact OD2-CE 3.31Å; D406-K447 WeakPolarHBondContact OD2-CE 3.36Å; D406-K447 IonicContact OD2-NZ 3Å; D406-K447 PolarHBondContact OD2-NZ 2.93Å; D406-V450 HydrophobicContact CB-CG2 4.01Å
407	P	97.9	Very high	97.7	Very high	77 Å²	77	43.4 Å²	43.4	50%	0.5	26%	0.261	S	S	.	.	H	α-helix	trans	-51	-31.8	168.9	-32.6	35.1	0	0	0	115	I405 S410 N411	I405-P407 HydrophobicContact CG2-CB 4.36Å; I405-P407 HydrophobicContact CG2-CG 4.24Å; P407-S410 WeakPolarHBondContact CA-OG 3.34Å; P407-S410 PolarHBondContact O-OG 3.48Å; P407-N411 WeakPolarHBondContact O-CB 3.45Å; P407-N411 PolarHBondContact O-N 3.15Å; P407-N411 PolarHBondContact O-ND2 2.67Å; P407-N411 PolarHBondContact O-OD1 3.24Å
408	V	97.5	Very high	97.7	Very high	41 Å²	41	49.6 Å²	49.6	25%	0.248	29%	0.29	C	S	.	.	H	α-helix	trans	-73.3	-41.2	175.9	-179.3	0	0	0	0	110.3	M400 H403 I405 D406 A412	M400-V408 HydrophobicContact CB-CG1 3.92Å; M400-V408 HydrophobicContact CG-CG1 4.02Å; M400-V408 HydrophobicContact SD-CG1 4.13Å; H403-V408 HydrophobicContact CB-CB 4.08Å; H403-V408 HydrophobicContact CB-CG1 3.72Å; H403-V408 WeakPolarHBondContact ND1-CB 3.44Å; I405-V408 HydrophobicContact CB-CG2 4.06Å; I405-V408 HydrophobicContact CG2-CG2 4.1Å; I405-V408 WeakPolarHBondContact O-CB 2.93Å; I405-V408 PolarHBondContact O-N 2.99Å; D406-V408 PolarHBondContact O-N 3.41Å; D406-V408 VanDerWaalsContact O-N 3.15Å; V408-A412 WeakPolarHBondContact O-CB 3.44Å; V408-A412 PolarHBondContact O-N 2.67Å
409	K	98.1	Very high	97.7	Very high	22 Å²	22	50.8 Å²	50.8	10%	0.096	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-48.8	174	-52.8	-173.1	-177.1	70.1	0	111.7	H403 P404 I405 D406 A413 L442 V450	H403-K409 WeakPolarHBondContact O-CE 3.36Å; H403-K409 VanDerWaalsContact O-CG 3.23Å; H403-K409 WeakPolarHBondContact O-CG 3.35Å; H403-K409 PolarHBondContact O-NZ 3.2Å; P404-K409 PolarHBondContact O-NZ 3.07Å; I405-K409 PolarHBondContact O-N 3.2Å; D406-K409 WeakPolarHBondContact O-CA 3.49Å; D406-K409 WeakPolarHBondContact O-CB 3.27Å; D406-K409 PolarHBondContact O-N 2.99Å; D406-K409 IonicContact OD1-NZ 3.16Å; D406-K409 PolarHBondContact OD1-NZ 3.49Å; K409-A413 WeakPolarHBondContact O-CB 3.5Å; K409-A413 PolarHBondContact O-N 2.8Å; K409-L442 HydrophobicContact CD-CD2 3.86Å; K409-V450 HydrophobicContact CB-CG1 4.08Å; K409-V450 HydrophobicContact CB-CG2 4.5Å; K409-V450 HydrophobicContact CD-CG1 4.19Å
410	S	97.8	Very high	97.7	Very high	8 Å²	8	47.5 Å²	47.5	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-67.6	-41.3	-178	56	0	0	0	0	112.2	D406 P407 A413 A414	D406-S410 PolarHBondContact O-N 2.93Å; D406-S410 PolarHBondContact O-OG 3.26Å; P407-S410 WeakPolarHBondContact CA-OG 3.34Å; P407-S410 PolarHBondContact O-OG 3.48Å; S410-A413 PolarHBondContact O-N 3.46Å; S410-A414 VanDerWaalsContact O-CB 3.32Å; S410-A414 WeakPolarHBondContact O-CB 3.22Å; S410-A414 PolarHBondContact O-N 3.28Å
411	N	97.9	Very high	97.6	Very high	109 Å²	109	51.2 Å²	51.2	58%	0.583	28%	0.28	S	S	*	.	H	α-helix	trans	-68.4	-40.3	178	-68.3	2.6	0	0	0	111.3	P407 A414 Y415	P407-N411 WeakPolarHBondContact O-CB 3.45Å; P407-N411 PolarHBondContact O-N 3.15Å; P407-N411 PolarHBondContact O-ND2 2.67Å; P407-N411 PolarHBondContact O-OD1 3.24Å; N411-A414 PolarHBondContact O-N 3.3Å; N411-Y415 WeakPolarHBondContact O-CB 3.41Å; N411-Y415 PolarHBondContact O-N 2.92Å
412	A	98.3	Very high	97.5	Very high	5 Å²	5	58 Å²	58	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-62.8	-42.2	173.3	0	0	0	0	0	111.9	V397 M400 L401 V408 L416	V397-A412 HydrophobicContact CG1-CB 4.39Å; M400-A412 HydrophobicContact CB-CB 3.68Å; L401-A412 HydrophobicContact CD2-CB 3.95Å; L401-A412 HydrophobicContact CG-CB 4.44Å; V408-A412 WeakPolarHBondContact O-CB 3.44Å; V408-A412 PolarHBondContact O-N 2.67Å; A412-L416 WeakPolarHBondContact O-CB 3.33Å; A412-L416 PolarHBondContact O-N 3.4Å
413	A	98.5	Very high	97.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.3	-39.6	175.7	0	0	0	0	0	112.7	L401 K409 S410 L416 Q417 L439 K453	L401-A413 HydrophobicContact CD2-CB 3.82Å; K409-A413 WeakPolarHBondContact O-CB 3.5Å; K409-A413 PolarHBondContact O-N 2.8Å; S410-A413 PolarHBondContact O-N 3.46Å; A413-L416 PolarHBondContact O-N 3.18Å; A413-Q417 WeakPolarHBondContact O-CB 3.42Å; A413-Q417 PolarHBondContact O-N 3.29Å; A413-L439 HydrophobicContact CB-CD2 4.33Å; A413-K453 HydrophobicContact CB-CB 3.82Å
414	A	98.3	Very high	97.4	Very high	31 Å²	31	58.3 Å²	58.3	26%	0.256	30%	0.302	S	S	.	.	H	α-helix	trans	-67.6	-42.1	176.6	0	0	0	0	0	112.4	S410 N411 L416 Q417 H418 K453	S410-A414 VanDerWaalsContact O-CB 3.32Å; S410-A414 WeakPolarHBondContact O-CB 3.22Å; S410-A414 PolarHBondContact O-N 3.28Å; N411-A414 PolarHBondContact O-N 3.3Å; A414-L416 VanDerWaalsContact C-N 3.35Å; A414-Q417 WeakPolarHBondContact O-CB 3.44Å; A414-Q417 PolarHBondContact O-N 3.03Å; A414-H418 PolarHBondContact O-N 3.17Å; A414-K453 HydrophobicContact CB-CB 4.32Å; A414-K453 HydrophobicContact CB-CD 3.94Å; A414-K453 HydrophobicContact CB-CG 4.08Å
415	Y	98	Very high	97.5	Very high	63 Å²	63	60.1 Å²	60.1	25%	0.247	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-40.6	173.9	-173.3	-114.7	0	0	0	110.9	D391 P392 V397 N411 Q417 H418 L419	D391-Y415 PolarHBondContact OD1-OH 2.94Å; P392-Y415 HydrophobicContact CG-CD1 4.3Å; P392-Y415 HydrophobicContact CG-CE1 3.81Å; V397-Y415 HydrophobicContact CG1-CD1 4.23Å; V397-Y415 HydrophobicContact CG2-CD1 3.58Å; V397-Y415 HydrophobicContact CG2-CE1 3.71Å; N411-Y415 WeakPolarHBondContact O-CB 3.41Å; N411-Y415 PolarHBondContact O-N 2.92Å; Y415-Q417 PolarHBondContact O-N 2.92Å; Y415-H418 WeakPolarHBondContact O-CB 3.45Å; Y415-H418 PolarHBondContact O-N 3.36Å; Y415-L419 HydrophobicContact CD1-CD1 3.79Å; Y415-L419 HydrophobicContact CD1-CG 4.26Å; Y415-L419 HydrophobicContact CE1-CD1 3.52Å; Y415-L419 HydrophobicContact CE1-CD2 4.49Å; Y415-L419 HydrophobicContact CE1-CG 4.11Å; Y415-L419 WeakPolarHBondContact O-CG 3.38Å; Y415-L419 PolarHBondContact O-N 3.23Å
416	L	98.1	Very high	97.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-36.6	175.2	-163.6	59	0	0	0	112.6	L394 V397 I398 L401 A412 A413 A414 H418 L419 C420 V430 L439	L394-L416 HydrophobicContact CD1-CD1 3.48Å; L394-L416 VanDerWaalsContact CD1-CD1 3.48Å; V397-L416 HydrophobicContact CG1-CB 4.05Å; V397-L416 HydrophobicContact CG1-CD1 4.1Å; I398-L416 HydrophobicContact CG1-CD2 4.39Å; L401-L416 HydrophobicContact CD1-CD2 4.01Å; A412-L416 WeakPolarHBondContact O-CB 3.33Å; A412-L416 PolarHBondContact O-N 3.4Å; A413-L416 PolarHBondContact O-N 3.18Å; A414-L416 VanDerWaalsContact C-N 3.35Å; L416-H418 VanDerWaalsContact C-N 3.34Å; L416-L419 PolarHBondContact O-N 3.16Å; L416-C420 WeakPolarHBondContact O-CB 3.47Å; L416-C420 PolarHBondContact O-N 3.26Å; L416-C420 PolarHBondContact O-SG 2.82Å; L416-V430 HydrophobicContact CD1-CG2 3.63Å; L416-V430 HydrophobicContact CD2-CG1 4.31Å; L416-V430 HydrophobicContact CD2-CG2 4.48Å; L416-V430 HydrophobicContact CG-CG2 4.35Å; L416-L439 HydrophobicContact CD2-CD1 4.02Å; L416-L439 HydrophobicContact CD2-CD2 4.34Å; L416-L439 HydrophobicContact CD2-CG 4.43Å
417	Q	98.1	Very high	97.4	Very high	46 Å²	46	55.7 Å²	55.7	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-46.2	170.6	178.1	179.9	2.8	0	0	111.2	A413 A414 Y415 C420 Y421 G456 A457 N460	A413-Q417 WeakPolarHBondContact O-CB 3.42Å; A413-Q417 PolarHBondContact O-N 3.29Å; A414-Q417 WeakPolarHBondContact O-CB 3.44Å; A414-Q417 PolarHBondContact O-N 3.03Å; Y415-Q417 PolarHBondContact O-N 2.92Å; Q417-C420 PolarHBondContact O-N 3.44Å; Q417-Y421 PolarHBondContact O-N 2.95Å; Q417-G456 VanDerWaalsContact CD-C 3.48Å; Q417-A457 HydrophobicContact CB-CB 4.06Å; Q417-N460 WeakPolarHBondContact CG-ND2 3.34Å; Q417-N460 PolarHBondContact O-ND2 3.48Å
418	H	97.8	Very high	97.4	Very high	131 Å²	131	56.6 Å²	56.6	61%	0.606	27%	0.272	S	S	*	.	H	α-helix	trans	-63.1	-50.7	175.8	172.4	69.3	0	0	0	112	A414 Y415 L416 C420 Y421	A414-H418 PolarHBondContact O-N 3.17Å; Y415-H418 WeakPolarHBondContact O-CB 3.45Å; Y415-H418 PolarHBondContact O-N 3.36Å; L416-H418 VanDerWaalsContact C-N 3.34Å; H418-C420 PolarHBondContact O-N 2.89Å; H418-Y421 VanDerWaalsContact O-CB 3.25Å; H418-Y421 WeakPolarHBondContact O-CB 3.32Å; H418-Y421 PolarHBondContact O-N 3.45Å
419	L	97.2	Very high	97.5	Very high	42 Å²	42	56.4 Å²	56.4	22%	0.22	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-26.3	178.7	-67.6	-179.2	0	0	0	113.5	L394 Y415 L416 N423 I426	L394-L419 HydrophobicContact CD1-CD1 4.3Å; Y415-L419 HydrophobicContact CD1-CD1 3.79Å; Y415-L419 HydrophobicContact CD1-CG 4.26Å; Y415-L419 HydrophobicContact CE1-CD1 3.52Å; Y415-L419 HydrophobicContact CE1-CD2 4.49Å; Y415-L419 HydrophobicContact CE1-CG 4.11Å; Y415-L419 WeakPolarHBondContact O-CG 3.38Å; Y415-L419 PolarHBondContact O-N 3.23Å; L416-L419 PolarHBondContact O-N 3.16Å; L419-N423 WeakPolarHBondContact O-CB 3.43Å; L419-I426 HydrophobicContact CB-CG2 4.05Å; L419-I426 WeakPolarHBondContact O-CB 3.44Å; L419-I426 WeakPolarHBondContact O-CG2 3.46Å
420	C	97.3	Very high	97.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.9	174	-71.1	0	0	0	0	114.3	L416 Q417 H418 E422 K427 N460 I461	L416-C420 WeakPolarHBondContact O-CB 3.47Å; L416-C420 PolarHBondContact O-N 3.26Å; L416-C420 PolarHBondContact O-SG 2.82Å; Q417-C420 PolarHBondContact O-N 3.44Å; H418-C420 PolarHBondContact O-N 2.89Å; C420-E422 PolarHBondContact O-N 3Å; C420-K427 HydrophobicContact CB-CG 4.05Å; C420-K427 WeakPolarHBondContact O-CE 3.46Å; C420-N460 HydrophobicContact CB-CB 3.99Å; C420-I461 HydrophobicContact CB-CG1 4.09Å; C420-I461 VanDerWaalsContact SG-CG1 3.55Å
421	Y	96.9	Very high	97.5	Very high	141 Å²	141	57.5 Å²	57.5	55%	0.553	27%	0.272	S	S	*	.	S	Bend	trans	-67	125.6	177.3	-173.5	-91.7	0	0	0	110.2	Q417 H418 N423	Q417-Y421 PolarHBondContact O-N 2.95Å; H418-Y421 VanDerWaalsContact O-CB 3.25Å; H418-Y421 WeakPolarHBondContact O-CB 3.32Å; H418-Y421 PolarHBondContact O-N 3.45Å; Y421-N423 WeakPolarHBondContact O-CB 3.35Å; Y421-N423 PolarHBondContact O-N 3.01Å
422	E	94.6	Very high	97.5	Very high	144 Å²	144	57.9 Å²	57.9	67%	0.673	27%	0.27	S	S	*	.	S	Bend	trans	51.3	-0.7	-176	-73	173.8	-164.3	0	0	117.5	C420 D424	C420-E422 PolarHBondContact O-N 3Å; E422-D424 PolarHBondContact O-N 3.3Å
423	N	96.3	Very high	97.5	Very high	67 Å²	67	61.4 Å²	61.4	36%	0.358	29%	0.288	S	S	.	.			trans	-103.7	83.9	-170.8	-167.1	-28.8	0	0	0	112.4	L419 Y421 K425 I426 K427	L419-N423 WeakPolarHBondContact O-CB 3.43Å; Y421-N423 WeakPolarHBondContact O-CB 3.35Å; Y421-N423 PolarHBondContact O-N 3.01Å; N423-K425 PolarHBondContact O-N 3.18Å; N423-K425 WeakPolarHBondContact OD1-CB 3.45Å; N423-K425 PolarHBondContact OD1-N 3.44Å; N423-I426 HydrophobicContact CB-CB 4.31Å; N423-I426 HydrophobicContact CB-CG1 4.36Å; N423-I426 WeakPolarHBondContact ND2-CG1 3.39Å; N423-I426 PolarHBondContact O-N 3.05Å; N423-I426 VanDerWaalsContact O-N 3.15Å; N423-I426 PolarHBondContact OD1-N 2.97Å; N423-I426 VanDerWaalsContact OD1-N 3.07Å; N423-K427 WeakPolarHBondContact O-CG 3.31Å; N423-K427 PolarHBondContact O-N 3.02Å; N423-K427 VanDerWaalsContact O-N 3.16Å
424	D	96.3	Very high	97.4	Very high	65 Å²	65	68.3 Å²	68.3	35%	0.348	32%	0.318	S	S	.	.	H	α-helix	trans	-60	-24.8	-180	-81.2	-0.2	0	0	0	113.5	E422 K427 K428	E422-D424 PolarHBondContact O-N 3.3Å; D424-K427 WeakPolarHBondContact OD1-CE 3.36Å; D424-K427 IonicContact OD1-NZ 2.67Å; D424-K427 PolarHBondContact OD1-NZ 2.99Å; D424-K428 WeakPolarHBondContact O-CB 3.38Å; D424-K428 PolarHBondContact O-N 3.5Å
425	K	96.6	Very high	97.4	Very high	143 Å²	143	66.9 Å²	66.9	62%	0.622	31%	0.306	S	S	*	.	H	α-helix	trans	-65.7	-53	172.7	-173.7	-163.1	169.5	-165.2	0	110.7	N423 K427 K428 D429	N423-K425 PolarHBondContact O-N 3.18Å; N423-K425 WeakPolarHBondContact OD1-CB 3.45Å; N423-K425 PolarHBondContact OD1-N 3.44Å; K425-K427 VanDerWaalsContact C-N 3.32Å; K425-K427 PolarHBondContact O-N 3.03Å; K425-K428 WeakPolarHBondContact O-CB 3.34Å; K425-K428 PolarHBondContact O-N 3.05Å; K425-K428 VanDerWaalsContact O-N 3.16Å; K425-D429 VanDerWaalsContact CE-OD2 3.29Å; K425-D429 WeakPolarHBondContact CE-OD2 3.37Å; K425-D429 VanDerWaalsContact O-CG 3.27Å; K425-D429 PolarHBondContact O-N 2.72Å
426	I	97.3	Very high	97.5	Very high	30 Å²	30	63.9 Å²	63.9	15%	0.154	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-41.5	-179.8	-66	-68.1	0	0	0	110.9	L394 L419 N423 K428 D429 V430	L394-I426 HydrophobicContact CD1-CG2 4.11Å; L394-I426 HydrophobicContact CD2-CD1 4.14Å; L394-I426 HydrophobicContact CD2-CG2 4.25Å; L419-I426 HydrophobicContact CB-CG2 4.05Å; L419-I426 WeakPolarHBondContact O-CB 3.44Å; L419-I426 WeakPolarHBondContact O-CG2 3.46Å; N423-I426 HydrophobicContact CB-CB 4.31Å; N423-I426 HydrophobicContact CB-CG1 4.36Å; N423-I426 WeakPolarHBondContact ND2-CG1 3.39Å; N423-I426 PolarHBondContact O-N 3.05Å; N423-I426 VanDerWaalsContact O-N 3.15Å; N423-I426 PolarHBondContact OD1-N 2.97Å; N423-I426 VanDerWaalsContact OD1-N 3.07Å; I426-K428 VanDerWaalsContact C-N 3.29Å; I426-K428 PolarHBondContact O-N 3.26Å; I426-D429 PolarHBondContact O-N 2.83Å; I426-D429 VanDerWaalsContact O-N 3.11Å; I426-V430 HydrophobicContact CG2-CG2 4.11Å; I426-V430 VanDerWaalsContact O-CG2 3.28Å; I426-V430 WeakPolarHBondContact O-CG2 3.28Å; I426-V430 PolarHBondContact O-N 3.19Å
427	K	97.9	Very high	97.5	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.017	31%	0.313	C	S	.	.	H	α-helix	trans	-55.5	-44.2	176	-60.4	172.3	-160.2	167.8	0	112.1	C420 N423 D424 K425 R431 N460 Y463	C420-K427 HydrophobicContact CB-CG 4.05Å; C420-K427 WeakPolarHBondContact O-CE 3.46Å; N423-K427 WeakPolarHBondContact O-CG 3.31Å; N423-K427 PolarHBondContact O-N 3.02Å; N423-K427 VanDerWaalsContact O-N 3.16Å; D424-K427 WeakPolarHBondContact OD1-CE 3.36Å; D424-K427 IonicContact OD1-NZ 2.67Å; D424-K427 PolarHBondContact OD1-NZ 2.99Å; K425-K427 VanDerWaalsContact C-N 3.32Å; K425-K427 PolarHBondContact O-N 3.03Å; K427-R431 PolarHBondContact O-N 2.85Å; K427-R431 VanDerWaalsContact O-N 3.11Å; K427-N460 WeakPolarHBondContact CD-O 3.47Å; K427-N460 WeakPolarHBondContact CE-O 3.05Å; K427-Y463 PolarHBondContact NZ-O 3.21Å
428	K	97.6	Very high	97.5	Very high	97 Å²	97	66.6 Å²	66.6	42%	0.422	32%	0.315	S	S	.	.	H	α-helix	trans	-65.4	-43.8	175	174.2	-177.2	173.2	-175	0	112	D424 K425 I426 V430 R431 Q432	D424-K428 WeakPolarHBondContact O-CB 3.38Å; D424-K428 PolarHBondContact O-N 3.5Å; K425-K428 WeakPolarHBondContact O-CB 3.34Å; K425-K428 PolarHBondContact O-N 3.05Å; K425-K428 VanDerWaalsContact O-N 3.16Å; I426-K428 VanDerWaalsContact C-N 3.29Å; I426-K428 PolarHBondContact O-N 3.26Å; K428-V430 VanDerWaalsContact C-N 3.33Å; K428-V430 PolarHBondContact O-N 3Å; K428-R431 WeakPolarHBondContact O-CB 3.39Å; K428-R431 PolarHBondContact O-N 3.48Å; K428-Q432 WeakPolarHBondContact O-CG 3.35Å; K428-Q432 PolarHBondContact O-N 3.18Å
429	D	98	Very high	97.5	Very high	37 Å²	37	60.4 Å²	60.4	20%	0.198	29%	0.286	C	S	.	.	H	α-helix	trans	-65.2	-37.7	179.9	-64.2	-11.5	0	0	0	110.6	L394 K425 I426 Q432 L433	L394-D429 HydrophobicContact CD2-CB 3.61Å; K425-D429 VanDerWaalsContact CE-OD2 3.29Å; K425-D429 WeakPolarHBondContact CE-OD2 3.37Å; K425-D429 VanDerWaalsContact O-CG 3.27Å; K425-D429 PolarHBondContact O-N 2.72Å; I426-D429 PolarHBondContact O-N 2.83Å; I426-D429 VanDerWaalsContact O-N 3.11Å; D429-Q432 PolarHBondContact O-N 3.24Å; D429-L433 WeakPolarHBondContact O-CB 3.47Å; D429-L433 VanDerWaalsContact O-CG 3.32Å; D429-L433 WeakPolarHBondContact O-CG 3.37Å; D429-L433 PolarHBondContact O-N 3.23Å
430	V	98.3	Very high	97.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-40.2	171.2	174.6	0	0	0	0	112.4	L394 I398 L416 I426 K428 K434 G435 I436 I461	L394-V430 HydrophobicContact CD1-CG2 3.84Å; L394-V430 HydrophobicContact CD2-CG2 4.06Å; L394-V430 HydrophobicContact CG-CG2 4.29Å; I398-V430 HydrophobicContact CD1-CG1 4.4Å; I398-V430 HydrophobicContact CD1-CG2 4.34Å; L416-V430 HydrophobicContact CD1-CG2 3.63Å; L416-V430 HydrophobicContact CD2-CG1 4.31Å; L416-V430 HydrophobicContact CD2-CG2 4.48Å; L416-V430 HydrophobicContact CG-CG2 4.35Å; I426-V430 HydrophobicContact CG2-CG2 4.11Å; I426-V430 VanDerWaalsContact O-CG2 3.28Å; I426-V430 WeakPolarHBondContact O-CG2 3.28Å; I426-V430 PolarHBondContact O-N 3.19Å; K428-V430 VanDerWaalsContact C-N 3.33Å; K428-V430 PolarHBondContact O-N 3Å; V430-K434 PolarHBondContact O-N 3.07Å; V430-G435 PolarHBondContact O-N 2.8Å; V430-I436 HydrophobicContact CG1-CG1 4.3Å; V430-I461 HydrophobicContact CG1-CD1 3.93Å
431	R	97.9	Very high	97.7	Very high	52 Å²	52	62.5 Å²	62.5	20%	0.196	30%	0.304	C	S	.	.	H	α-helix	trans	-62.6	-42.2	172.6	171.4	170.3	56.7	108.2	-9.2	111.7	K427 K428 K434 I436 D466 E468 N469 A472	K427-R431 PolarHBondContact O-N 2.85Å; K427-R431 VanDerWaalsContact O-N 3.11Å; K428-R431 WeakPolarHBondContact O-CB 3.39Å; K428-R431 PolarHBondContact O-N 3.48Å; R431-K434 PolarHBondContact O-N 3.23Å; R431-I436 HydrophobicContact CB-CD1 3.78Å; R431-I436 HydrophobicContact CG-CD1 4.3Å; R431-D466 IonicContact CZ-OD2 3.25Å; R431-D466 IonicContact NE-OD2 2.8Å; R431-D466 IonicContact NH2-OD1 3.08Å; R431-D466 PolarHBondContact NH2-OD1 3Å; R431-D466 IonicContact NH2-OD2 2.79Å; R431-D466 PolarHBondContact NH2-OD2 3.45Å; R431-E468 WeakPolarHBondContact CD-O 3.49Å; R431-E468 IonicContact NH1-OE2 2.7Å; R431-N469 WeakPolarHBondContact CB-OD1 3.17Å; R431-N469 WeakPolarHBondContact CD-OD1 3.43Å; R431-N469 PolarHBondContact NE-OD1 3.32Å; R431-A472 HydrophobicContact CG-CB 4.12Å
432	Q	97.9	Very high	97.7	Very high	118 Å²	118	56.3 Å²	56.3	55%	0.551	28%	0.281	S	S	*	.	H	α-helix	trans	-67.1	-46.2	178.7	-70.9	-174.7	-8.4	0	0	111.8	K428 D429 K434	K428-Q432 WeakPolarHBondContact O-CG 3.35Å; K428-Q432 PolarHBondContact O-N 3.18Å; D429-Q432 PolarHBondContact O-N 3.24Å; Q432-K434 PolarHBondContact O-N 3.08Å; Q432-K434 VanDerWaalsContact O-N 3.12Å
433	L	97.9	Very high	97.9	Very high	78 Å²	78	49.5 Å²	49.5	41%	0.408	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	9.1	176.9	-65.8	171.9	0	0	0	114.3	L394 P395 I398 D429 G435	L394-L433 HydrophobicContact CB-CD1 4.27Å; L394-L433 HydrophobicContact CD2-CD1 3.93Å; L394-L433 HydrophobicContact CG-CD1 3.95Å; P395-L433 HydrophobicContact CG-CD1 4.01Å; P395-L433 HydrophobicContact CG-CD2 4.31Å; I398-L433 HydrophobicContact CD1-CB 3.5Å; I398-L433 HydrophobicContact CD1-CD1 3.93Å; I398-L433 HydrophobicContact CD1-CG 4.38Å; D429-L433 WeakPolarHBondContact O-CB 3.47Å; D429-L433 VanDerWaalsContact O-CG 3.32Å; D429-L433 WeakPolarHBondContact O-CG 3.37Å; D429-L433 PolarHBondContact O-N 3.23Å; L433-G435 PolarHBondContact O-N 3.35Å
434	K	97.9	Very high	97.9	Very high	146 Å²	146	49.3 Å²	49.3	64%	0.635	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	25.2	177.1	-50.2	-58.7	-177.8	-178.7	0	115.1	V430 R431 Q432 I436 P437	V430-K434 PolarHBondContact O-N 3.07Å; R431-K434 PolarHBondContact O-N 3.23Å; Q432-K434 PolarHBondContact O-N 3.08Å; Q432-K434 VanDerWaalsContact O-N 3.12Å; K434-I436 VanDerWaalsContact C-N 3.32Å; K434-I436 PolarHBondContact O-N 3.19Å; K434-P437 WeakPolarHBondContact O-CD 3.25Å
435	G	98.4	Very high	98	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-29.1	175.8	0	0	0	0	0	113.9	V430 L433 V438 L439	V430-G435 PolarHBondContact O-N 2.8Å; L433-G435 PolarHBondContact O-N 3.35Å; G435-V438 PolarHBondContact O-N 3.12Å; G435-V438 VanDerWaalsContact O-N 3.12Å; G435-L439 PolarHBondContact O-N 3.37Å
436	I	98.6	Very high	97.9	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-52.4	-177.9	-65.4	177	0	0	0	112.7	V430 R431 K434 V438 L439 V440 L458 I461 A472 I473	V430-I436 HydrophobicContact CG1-CG1 4.3Å; R431-I436 HydrophobicContact CB-CD1 3.78Å; R431-I436 HydrophobicContact CG-CD1 4.3Å; K434-I436 VanDerWaalsContact C-N 3.32Å; K434-I436 PolarHBondContact O-N 3.19Å; I436-V438 PolarHBondContact O-N 3.3Å; I436-L439 PolarHBondContact O-N 3.29Å; I436-V440 WeakPolarHBondContact O-CG2 3.5Å; I436-V440 PolarHBondContact O-N 3.3Å; I436-L458 HydrophobicContact CG2-CD2 4.34Å; I436-I461 HydrophobicContact CD1-CG2 3.65Å; I436-I461 HydrophobicContact CG1-CG2 4.01Å; I436-A472 HydrophobicContact CD1-CB 3.85Å; I436-A472 HydrophobicContact CG2-CB 4.43Å; I436-I473 HydrophobicContact CG2-CB 4.37Å; I436-I473 HydrophobicContact CG2-CG1 3.59Å
437	P	98.6	Very high	97.8	Very high	60 Å²	60	50.3 Å²	50.3	39%	0.39	26%	0.261	S	S	.	.	H	α-helix	trans	-55.2	-32.5	172.9	-29.7	34.4	0	0	0	115.2	K434 S441 C476	K434-P437 WeakPolarHBondContact O-CD 3.25Å; P437-S441 PolarHBondContact O-N 3.28Å; P437-C476 HydrophobicContact CB-CB 4.19Å; P437-C476 HydrophobicContact CG-CB 4.09Å
438	V	98.4	Very high	97.7	Very high	43 Å²	43	52 Å²	52	26%	0.261	27%	0.273	S	S	.	.	H	α-helix	trans	-73	-43.6	177.9	-170.1	0	0	0	0	110.6	L401 G435 I436 V440 S441 L442	L401-V438 HydrophobicContact CB-CG1 3.62Å; L401-V438 HydrophobicContact CD1-CB 4.3Å; L401-V438 HydrophobicContact CD1-CG1 4.2Å; G435-V438 PolarHBondContact O-N 3.12Å; G435-V438 VanDerWaalsContact O-N 3.12Å; I436-V438 PolarHBondContact O-N 3.3Å; V438-V440 VanDerWaalsContact C-N 3.28Å; V438-V440 PolarHBondContact O-N 3.29Å; V438-S441 PolarHBondContact O-N 3.1Å; V438-S441 PolarHBondContact O-OG 3.17Å; V438-L442 WeakPolarHBondContact O-CG 3.06Å; V438-L442 PolarHBondContact O-N 2.84Å; V438-L442 VanDerWaalsContact O-N 3.15Å
439	L	98.7	Very high	97.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-37.3	172.9	-69.1	172.6	0	0	0	112.2	L401 A413 L416 G435 I436 L442 A454 A457 L458 I461	L401-L439 HydrophobicContact CD1-CD2 3.8Å; L401-L439 HydrophobicContact CD1-CG 4.01Å; L401-L439 HydrophobicContact CD2-CD2 3.94Å; A413-L439 HydrophobicContact CB-CD2 4.33Å; L416-L439 HydrophobicContact CD2-CD1 4.02Å; L416-L439 HydrophobicContact CD2-CD2 4.34Å; L416-L439 HydrophobicContact CD2-CG 4.43Å; G435-L439 PolarHBondContact O-N 3.37Å; I436-L439 PolarHBondContact O-N 3.29Å; L439-L442 PolarHBondContact O-N 2.66Å; L439-A454 HydrophobicContact CD2-CB 4.32Å; L439-A457 HydrophobicContact CD1-CB 3.8Å; L439-A457 HydrophobicContact CD2-CB 3.95Å; L439-L458 HydrophobicContact CB-CD1 4.18Å; L439-L458 HydrophobicContact CB-CD2 3.85Å; L439-L458 HydrophobicContact CB-CG 3.89Å; L439-L458 HydrophobicContact CD1-CD2 4.21Å; L439-L458 HydrophobicContact CD1-CG 4.42Å; L439-I461 HydrophobicContact CD1-CD1 3.45Å; L439-I461 VanDerWaalsContact CD1-CD1 3.45Å
440	V	98.8	Very high	97.6	Very high	8 Å²	8	49 Å²	49	5%	0.048	26%	0.259	C	S	.	.	H	α-helix	trans	-69	-39.1	177.3	169.8	0	0	0	0	112.1	I436 V438 L442 L443 L458 C476 A481	I436-V440 WeakPolarHBondContact O-CG2 3.5Å; I436-V440 PolarHBondContact O-N 3.3Å; V438-V440 VanDerWaalsContact C-N 3.28Å; V438-V440 PolarHBondContact O-N 3.29Å; V440-L442 VanDerWaalsContact C-N 3.29Å; V440-L442 PolarHBondContact O-N 2.96Å; V440-L443 VanDerWaalsContact O-CB 3.31Å; V440-L443 WeakPolarHBondContact O-CB 3.15Å; V440-L443 PolarHBondContact O-N 3.49Å; V440-L443 VanDerWaalsContact O-N 3.14Å; V440-L458 HydrophobicContact CG2-CD1 3.9Å; V440-L458 HydrophobicContact CG2-CD2 4.06Å; V440-C476 WeakPolarHBondContact CG1-O 3.38Å; V440-A481 HydrophobicContact CG1-CB 4.01Å
441	S	98.2	Very high	97.6	Very high	79 Å²	79	50.4 Å²	50.4	55%	0.552	27%	0.266	S	S	*	.	H	α-helix	trans	-68.5	-28.4	176.1	69.4	0	0	0	0	112.8	P437 V438 L443 D444	P437-S441 PolarHBondContact O-N 3.28Å; V438-S441 PolarHBondContact O-N 3.1Å; V438-S441 PolarHBondContact O-OG 3.17Å; S441-L443 PolarHBondContact O-N 2.65Å; S441-D444 PolarHBondContact O-N 3.34Å
442	L	98.4	Very high	97.6	Very high	11 Å²	11	50.4 Å²	50.4	6%	0.058	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-68.4	-11.7	171.8	-67	-179.4	0	0	0	114.2	L401 K409 V438 L439 V440 D444 H445 V450 H451 A454	L401-L442 HydrophobicContact CB-CD1 4.18Å; L401-L442 HydrophobicContact CD2-CD1 4.14Å; K409-L442 HydrophobicContact CD-CD2 3.86Å; V438-L442 WeakPolarHBondContact O-CG 3.06Å; V438-L442 PolarHBondContact O-N 2.84Å; V438-L442 VanDerWaalsContact O-N 3.15Å; L439-L442 PolarHBondContact O-N 2.66Å; V440-L442 VanDerWaalsContact C-N 3.29Å; V440-L442 PolarHBondContact O-N 2.96Å; L442-D444 VanDerWaalsContact C-N 3.33Å; L442-D444 PolarHBondContact O-N 3Å; L442-H445 WeakPolarHBondContact O-CB 3.45Å; L442-H445 PolarHBondContact O-N 3.35Å; L442-V450 HydrophobicContact CB-CG1 4.28Å; L442-V450 HydrophobicContact CD1-CG1 4.32Å; L442-V450 HydrophobicContact CD2-CG1 3.93Å; L442-V450 HydrophobicContact CG-CG1 4.4Å; L442-H451 WeakPolarHBondContact O-CB 3.1Å; L442-A454 HydrophobicContact CB-CB 3.69Å; L442-A454 HydrophobicContact CD1-CB 4.39Å
443	L	98.3	Very high	97.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-69.1	-27.3	174	-64.9	177.3	0	0	0	113.4	V440 S441 H445 C455 L458 A481 L482 L485	V440-L443 VanDerWaalsContact O-CB 3.31Å; V440-L443 WeakPolarHBondContact O-CB 3.15Å; V440-L443 PolarHBondContact O-N 3.49Å; V440-L443 VanDerWaalsContact O-N 3.14Å; S441-L443 PolarHBondContact O-N 2.65Å; L443-H445 VanDerWaalsContact C-N 3.3Å; L443-C455 HydrophobicContact CD2-CB 3.72Å; L443-L458 HydrophobicContact CD1-CD1 3.79Å; L443-L458 HydrophobicContact CD2-CD1 4.14Å; L443-L458 HydrophobicContact CG-CD1 4.06Å; L443-A481 HydrophobicContact CB-CB 4.32Å; L443-A481 HydrophobicContact CD1-CB 3.84Å; L443-L482 HydrophobicContact CD1-CD2 3.93Å; L443-L482 HydrophobicContact CD1-CG 4.01Å; L443-L485 HydrophobicContact CB-CD2 4.44Å; L443-L485 HydrophobicContact CD2-CD2 4.11Å
444	D	96.9	Very high	97.7	Very high	62 Å²	62	43.8 Å²	43.8	33%	0.332	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-90.6	11.7	173.6	-83.8	-65.3	0	0	0	112.5	S441 L442 R484 K488	S441-D444 PolarHBondContact O-N 3.34Å; L442-D444 VanDerWaalsContact C-N 3.33Å; L442-D444 PolarHBondContact O-N 3Å; D444-R484 IonicContact OD1-NE 3.73Å; D444-R484 IonicContact OD2-CZ 4Å; D444-R484 VanDerWaalsContact OD2-CZ 3.22Å; D444-R484 IonicContact OD2-NE 2.71Å; D444-R484 PolarHBondContact OD2-NE 2.96Å; D444-R484 IonicContact OD2-NH2 2.68Å; D444-R484 PolarHBondContact OD2-NH2 2.86Å; D444-K488 IonicContact OD1-NZ 3.38Å; D444-K488 PolarHBondContact OD1-NZ 3.44Å
445	H	97.4	Very high	97.7	Very high	32 Å²	32	36.8 Å²	36.8	15%	0.148	20%	0.201	C	C	.	.			trans	-71.3	135.9	178.7	-163.2	-93.8	0	0	0	112.1	D406 L442 L443 K447 V450 H451	D406-H445 IonicContact OD1-CE1 3.21Å; D406-H445 PolarHBondContact OD1-CE1 2.67Å; D406-H445 VanDerWaalsContact OD1-CE1 3.27Å; D406-H445 IonicContact OD1-NE2 2.76Å; D406-H445 PolarHBondContact OD1-NE2 3.03Å; L442-H445 WeakPolarHBondContact O-CB 3.45Å; L442-H445 PolarHBondContact O-N 3.35Å; L443-H445 VanDerWaalsContact C-N 3.3Å; H445-K447 VanDerWaalsContact C-N 3.27Å; H445-K447 PolarHBondContact O-N 3.42Å; H445-K447 VanDerWaalsContact O-N 3.15Å; H445-V450 HydrophobicContact CB-CB 4.27Å; H445-V450 HydrophobicContact CB-CG1 3.98Å; H445-V450 WeakPolarHBondContact ND1-CB 3.33Å; H445-H451 PolarHBondContact O-CE1 3.22Å; H445-H451 PolarHBondContact O-ND1 2.87Å
446	P	95.1	Very high	97.7	Very high	118 Å²	118	36.8 Å²	36.8	77%	0.766	20%	0.201	S	C	*	.	S	Bend	trans	-74.1	-4.9	-169.9	28.9	-37.4	0	0	0	115.8
447	K	95.4	Very high	97.7	Very high	110 Å²	110	36.8 Å²	36.8	48%	0.478	20%	0.201	S	C	.	.	S	Bend	trans	-106.1	124.1	176.7	-71	-177	177.3	170.6	0	110.3	D406 H445 E449 V450 H451	D406-K447 HydrophobicContact CB-CD 4.12Å; D406-K447 WeakPolarHBondContact OD2-CD 3.48Å; D406-K447 VanDerWaalsContact OD2-CE 3.31Å; D406-K447 WeakPolarHBondContact OD2-CE 3.36Å; D406-K447 IonicContact OD2-NZ 3Å; D406-K447 PolarHBondContact OD2-NZ 2.93Å; H445-K447 VanDerWaalsContact C-N 3.27Å; H445-K447 PolarHBondContact O-N 3.42Å; H445-K447 VanDerWaalsContact O-N 3.15Å; K447-E449 VanDerWaalsContact C-N 3.28Å; K447-E449 PolarHBondContact O-N 3.01Å; K447-V450 HydrophobicContact CB-CG2 4.35Å; K447-V450 PolarHBondContact O-N 3Å; K447-V450 VanDerWaalsContact O-N 3.08Å; K447-H451 PolarHBondContact O-N 3.22Å
448	S	94.6	Very high	97.7	Very high	40 Å²	40	33.9 Å²	33.9	28%	0.28	18%	0.183	S	C	.	.	H	α-helix	trans	-50.1	-48.4	-178.5	-176.5	0	0	0	0	111.8	V450 H451 R452 D491	S448-V450 PolarHBondContact O-N 3.39Å; S448-V450 VanDerWaalsContact O-N 3.08Å; S448-H451 PolarHBondContact O-CD2 3.33Å; S448-H451 PolarHBondContact O-N 3.37Å; S448-H451 VanDerWaalsContact O-N 3.12Å; S448-R452 WeakPolarHBondContact O-CB 3.29Å; S448-R452 PolarHBondContact O-N 2.86Å; S448-D491 PolarHBondContact OG-OD2 3.13Å
449	E	96.1	Very high	97.7	Very high	69 Å²	69	35.4 Å²	35.4	32%	0.322	18%	0.184	S	C	.	.	H	α-helix	trans	-53.2	-38.2	-178.3	-171.8	55.1	-154.9	0	0	114.5	K447 R452 K453	K447-E449 VanDerWaalsContact C-N 3.28Å; K447-E449 PolarHBondContact O-N 3.01Å; E449-R452 IonicContact OE2-CZ 3.19Å; E449-R452 IonicContact OE2-NE 2.76Å; E449-R452 PolarHBondContact OE2-NE 3.47Å; E449-R452 IonicContact OE2-NH2 2.85Å; E449-R452 PolarHBondContact OE2-NH2 3.17Å; E449-K453 WeakPolarHBondContact O-CG 3.38Å; E449-K453 PolarHBondContact O-N 3.41Å; E449-K453 WeakPolarHBondContact OE1-CE 3.22Å; E449-K453 WeakPolarHBondContact OE1-CG 3.19Å; E449-K453 IonicContact OE1-NZ 2.66Å
450	V	97.9	Very high	97.7	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-73.5	-46.8	-179.5	-179.9	0	0	0	0	110.8	D406 K409 L442 H445 K447 S448 A454	D406-V450 HydrophobicContact CB-CG2 4.01Å; K409-V450 HydrophobicContact CB-CG1 4.08Å; K409-V450 HydrophobicContact CB-CG2 4.5Å; K409-V450 HydrophobicContact CD-CG1 4.19Å; L442-V450 HydrophobicContact CB-CG1 4.28Å; L442-V450 HydrophobicContact CD1-CG1 4.32Å; L442-V450 HydrophobicContact CD2-CG1 3.93Å; L442-V450 HydrophobicContact CG-CG1 4.4Å; H445-V450 HydrophobicContact CB-CB 4.27Å; H445-V450 HydrophobicContact CB-CG1 3.98Å; H445-V450 WeakPolarHBondContact ND1-CB 3.33Å; K447-V450 HydrophobicContact CB-CG2 4.35Å; K447-V450 PolarHBondContact O-N 3Å; K447-V450 VanDerWaalsContact O-N 3.08Å; S448-V450 PolarHBondContact O-N 3.39Å; S448-V450 VanDerWaalsContact O-N 3.08Å; V450-A454 VanDerWaalsContact O-CB 3.25Å; V450-A454 WeakPolarHBondContact O-CB 3.36Å; V450-A454 PolarHBondContact O-N 3.31Å
451	H	97.7	Very high	97.7	Very high	28 Å²	28	36.3 Å²	36.3	13%	0.13	19%	0.188	C	C	.	.	H	α-helix	trans	-72.6	-29.4	178.7	64.4	-131.5	0	0	0	112.7	L442 H445 K447 S448 C455 L485	L442-H451 WeakPolarHBondContact O-CB 3.1Å; H445-H451 PolarHBondContact O-CE1 3.22Å; H445-H451 PolarHBondContact O-ND1 2.87Å; K447-H451 PolarHBondContact O-N 3.22Å; S448-H451 PolarHBondContact O-CD2 3.33Å; S448-H451 PolarHBondContact O-N 3.37Å; S448-H451 VanDerWaalsContact O-N 3.12Å; H451-C455 WeakPolarHBondContact O-CB 3.44Å; H451-C455 PolarHBondContact O-N 3.42Å; H451-L485 HydrophobicContact CB-CD2 4.03Å
452	R	98.3	Very high	97.7	Very high	53 Å²	53	32.6 Å²	32.6	20%	0.2	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-55.5	173.4	-173.9	167	73.9	152.6	-9.2	110.7	S448 E449 C455 G456 E493 V494 L497	S448-R452 WeakPolarHBondContact O-CB 3.29Å; S448-R452 PolarHBondContact O-N 2.86Å; E449-R452 IonicContact OE2-CZ 3.19Å; E449-R452 IonicContact OE2-NE 2.76Å; E449-R452 PolarHBondContact OE2-NE 3.47Å; E449-R452 IonicContact OE2-NH2 2.85Å; E449-R452 PolarHBondContact OE2-NH2 3.17Å; R452-C455 PolarHBondContact O-N 3.39Å; R452-G456 PolarHBondContact O-N 3.31Å; R452-E493 WeakPolarHBondContact CD-OE2 3.28Å; R452-E493 IonicContact CZ-OE2 3.89Å; R452-E493 IonicContact NE-OE2 2.7Å; R452-E493 IonicContact NH1-OE1 2.99Å; R452-E493 PolarHBondContact NH1-OE1 3.08Å; R452-E493 IonicContact NH1-OE2 3.77Å; R452-E493 PolarHBondContact NH1-OE2 3.31Å; R452-V494 HydrophobicContact CB-CG2 3.78Å; R452-V494 HydrophobicContact CG-CG2 3.89Å; R452-L497 HydrophobicContact CG-CD1 4.06Å; R452-L497 WeakPolarHBondContact O-CD1 3.47Å
453	K	98.4	Very high	97.6	Very high	56 Å²	56	39.2 Å²	39.2	24%	0.243	19%	0.188	C	C	.	.	H	α-helix	trans	-69.3	-35.2	179	-58.5	-56.1	-180	-177.3	0	112.8	A413 A414 E449 G456 A457	A413-K453 HydrophobicContact CB-CB 3.82Å; A414-K453 HydrophobicContact CB-CB 4.32Å; A414-K453 HydrophobicContact CB-CD 3.94Å; A414-K453 HydrophobicContact CB-CG 4.08Å; E449-K453 WeakPolarHBondContact O-CG 3.38Å; E449-K453 PolarHBondContact O-N 3.41Å; E449-K453 WeakPolarHBondContact OE1-CE 3.22Å; E449-K453 WeakPolarHBondContact OE1-CG 3.19Å; E449-K453 IonicContact OE1-NZ 2.66Å; K453-G456 PolarHBondContact O-N 3.36Å; K453-A457 PolarHBondContact O-N 2.99Å
454	A	98.6	Very high	97.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-43	173.4	0	0	0	0	0	112.5	L439 L442 V450 A457 L458	L439-A454 HydrophobicContact CD2-CB 4.32Å; L442-A454 HydrophobicContact CB-CB 3.69Å; L442-A454 HydrophobicContact CD1-CB 4.39Å; V450-A454 VanDerWaalsContact O-CB 3.25Å; V450-A454 WeakPolarHBondContact O-CB 3.36Å; V450-A454 PolarHBondContact O-N 3.31Å; A454-A457 PolarHBondContact O-N 2.71Å; A454-L458 WeakPolarHBondContact O-CG 3.42Å; A454-L458 PolarHBondContact O-N 2.9Å
455	C	98.7	Very high	96.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.7	-36	174.4	-163.4	0	0	0	0	112.1	L443 H451 R452 L458 R459 L497	L443-C455 HydrophobicContact CD2-CB 3.72Å; H451-C455 WeakPolarHBondContact O-CB 3.44Å; H451-C455 PolarHBondContact O-N 3.42Å; R452-C455 PolarHBondContact O-N 3.39Å; C455-L458 PolarHBondContact O-N 2.92Å; C455-R459 PolarHBondContact O-N 2.94Å; C455-L497 HydrophobicContact CB-CB 4.21Å; C455-L497 VanDerWaalsContact SG-C 3.57Å
456	G	98.6	Very high	96.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-45.4	172.5	0	0	0	0	0	112.8	Q417 R452 K453 L458 R459 N460	Q417-G456 VanDerWaalsContact CD-C 3.48Å; R452-G456 PolarHBondContact O-N 3.31Å; K453-G456 PolarHBondContact O-N 3.36Å; G456-L458 PolarHBondContact O-N 2.71Å; G456-R459 WeakPolarHBondContact O-CB 3.42Å; G456-R459 PolarHBondContact O-N 2.93Å; G456-N460 PolarHBondContact O-N 3.5Å
457	A	98.7	Very high	96.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-42.4	173.4	0	0	0	0	0	112.2	Q417 L439 K453 A454 R459 N460 I461	Q417-A457 HydrophobicContact CB-CB 4.06Å; L439-A457 HydrophobicContact CD1-CB 3.8Å; L439-A457 HydrophobicContact CD2-CB 3.95Å; K453-A457 PolarHBondContact O-N 2.99Å; A454-A457 PolarHBondContact O-N 2.71Å; A457-R459 PolarHBondContact O-N 3.4Å; A457-N460 PolarHBondContact O-N 2.88Å; A457-I461 WeakPolarHBondContact O-CB 3.19Å; A457-I461 WeakPolarHBondContact O-CD1 3.06Å; A457-I461 VanDerWaalsContact O-CG1 3.25Å; A457-I461 WeakPolarHBondContact O-CG1 3.38Å; A457-I461 PolarHBondContact O-N 3.33Å
458	L	98.7	Very high	96.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.6	-33.4	176.4	-69.3	169.9	0	0	0	113.2	I436 L439 V440 L443 A454 C455 G456 I461 S462 I473 T501	I436-L458 HydrophobicContact CG2-CD2 4.34Å; L439-L458 HydrophobicContact CB-CD1 4.18Å; L439-L458 HydrophobicContact CB-CD2 3.85Å; L439-L458 HydrophobicContact CB-CG 3.89Å; L439-L458 HydrophobicContact CD1-CD2 4.21Å; L439-L458 HydrophobicContact CD1-CG 4.42Å; V440-L458 HydrophobicContact CG2-CD1 3.9Å; V440-L458 HydrophobicContact CG2-CD2 4.06Å; L443-L458 HydrophobicContact CD1-CD1 3.79Å; L443-L458 HydrophobicContact CD2-CD1 4.14Å; L443-L458 HydrophobicContact CG-CD1 4.06Å; A454-L458 WeakPolarHBondContact O-CG 3.42Å; A454-L458 PolarHBondContact O-N 2.9Å; C455-L458 PolarHBondContact O-N 2.92Å; G456-L458 PolarHBondContact O-N 2.71Å; L458-I461 PolarHBondContact O-N 3.11Å; L458-S462 VanDerWaalsContact O-CB 3.28Å; L458-S462 WeakPolarHBondContact O-CB 3.49Å; L458-S462 PolarHBondContact O-N 3.44Å; L458-S462 PolarHBondContact O-OG 3.44Å; L458-I473 HydrophobicContact CD2-CD1 4.21Å; L458-I473 HydrophobicContact CD2-CG1 4.08Å; L458-T501 HydrophobicContact CB-CG2 4.39Å
459	R	98.5	Very high	96.8	Very high	75 Å²	75	41.8 Å²	41.8	28%	0.283	19%	0.192	S	C	.	.	H	α-helix	trans	-59.4	-47.5	171	-172.4	-179.2	173.7	176	2.2	110.5	C455 G456 A457 S462 Y463 E496 T501 N504	C455-R459 PolarHBondContact O-N 2.94Å; G456-R459 WeakPolarHBondContact O-CB 3.42Å; G456-R459 PolarHBondContact O-N 2.93Å; A457-R459 PolarHBondContact O-N 3.4Å; R459-S462 PolarHBondContact O-OG 2.98Å; R459-Y463 PolarHBondContact O-N 3.41Å; R459-E496 IonicContact CZ-OE1 3.25Å; R459-E496 IonicContact NH1-OE1 2.98Å; R459-E496 PolarHBondContact NH1-OE1 3.29Å; R459-E496 IonicContact NH2-OE1 3.15Å; R459-T501 WeakPolarHBondContact CA-OG1 3.37Å; R459-T501 WeakPolarHBondContact CB-OG1 3.44Å; R459-T501 PolarHBondContact N-OG1 3.46Å; R459-N504 PolarHBondContact O-ND2 2.89Å
460	N	98.6	Very high	96.9	Very high	27 Å²	27	38.7 Å²	38.7	14%	0.144	18%	0.177	C	C	.	.	H	α-helix	trans	-71.3	-35.6	-179.8	-71.9	8.7	0	0	0	112.9	Q417 C420 K427 G456 A457	Q417-N460 WeakPolarHBondContact CG-ND2 3.34Å; Q417-N460 PolarHBondContact O-ND2 3.48Å; C420-N460 HydrophobicContact CB-CB 3.99Å; K427-N460 WeakPolarHBondContact CD-O 3.47Å; K427-N460 WeakPolarHBondContact CE-O 3.05Å; G456-N460 PolarHBondContact O-N 3.5Å; A457-N460 PolarHBondContact O-N 2.88Å
461	I	98.3	Very high	96.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71.9	-35.1	177.5	-68.7	163	0	0	0	112.4	C420 V430 I436 L439 A457 L458 Y463 N469 I473	C420-I461 HydrophobicContact CB-CG1 4.09Å; C420-I461 VanDerWaalsContact SG-CG1 3.55Å; V430-I461 HydrophobicContact CG1-CD1 3.93Å; I436-I461 HydrophobicContact CD1-CG2 3.65Å; I436-I461 HydrophobicContact CG1-CG2 4.01Å; L439-I461 HydrophobicContact CD1-CD1 3.45Å; L439-I461 VanDerWaalsContact CD1-CD1 3.45Å; A457-I461 WeakPolarHBondContact O-CB 3.19Å; A457-I461 WeakPolarHBondContact O-CD1 3.06Å; A457-I461 VanDerWaalsContact O-CG1 3.25Å; A457-I461 WeakPolarHBondContact O-CG1 3.38Å; A457-I461 PolarHBondContact O-N 3.33Å; L458-I461 PolarHBondContact O-N 3.11Å; I461-Y463 VanDerWaalsContact C-N 3.33Å; I461-N469 HydrophobicContact CG2-CB 4.04Å; I461-N469 WeakPolarHBondContact O-CB 3.46Å; I461-I473 HydrophobicContact CG2-CD1 4.42Å
462	S	98.1	Very high	97	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-73.3	-23.4	176.2	57.1	0	0	0	0	113.3	L458 R459 K470 N504	L458-S462 VanDerWaalsContact O-CB 3.28Å; L458-S462 WeakPolarHBondContact O-CB 3.49Å; L458-S462 PolarHBondContact O-N 3.44Å; L458-S462 PolarHBondContact O-OG 3.44Å; R459-S462 PolarHBondContact O-OG 2.98Å; S462-K470 WeakPolarHBondContact O-CE 3.36Å; S462-N504 WeakPolarHBondContact OG-CB 3.5Å; S462-N504 PolarHBondContact OG-ND2 3.28Å
463	Y	96.9	Very high	97	Very high	150 Å²	150	37.3 Å²	37.3	59%	0.588	18%	0.179	S	C	*	.	S	Bend	trans	-79.8	135.2	177.8	-171.3	-107.7	0	0	0	112.4	K427 R459 I461	K427-Y463 PolarHBondContact NZ-O 3.21Å; R459-Y463 PolarHBondContact O-N 3.41Å; I461-Y463 VanDerWaalsContact C-N 3.33Å
464	G	91	Very high	97	Very high	26 Å²	26	38.2 Å²	38.2	27%	0.268	18%	0.183	S	C	.	.	S	Bend	trans	125.3	179.4	177	0	0	0	0	0	114	K470	G464-K470 PolarHBondContact O-NZ 3.4Å
465	K	87.6	Confident	97	Very high	193 Å²	193	43.2 Å²	43.2	84%	0.839	21%	0.21	S	C	*	.	S	Bend	trans	-76.4	-23.1	-174.8	-64.6	178.3	-178.4	176.4	0	113.2	N467	K465-N467 PolarHBondContact O-N 3.14Å; K465-N467 VanDerWaalsContact O-N 3.1Å
466	D	89.8	Confident	96.9	Very high	38 Å²	38	44.8 Å²	44.8	20%	0.203	22%	0.22	C	C	.	.			trans	-73.5	98.2	177.5	-173.7	10.1	0	0	0	111.5	R431 E468 N469	R431-D466 IonicContact CZ-OD2 3.25Å; R431-D466 IonicContact NE-OD2 2.8Å; R431-D466 IonicContact NH2-OD1 3.08Å; R431-D466 PolarHBondContact NH2-OD1 3Å; R431-D466 IonicContact NH2-OD2 2.79Å; R431-D466 PolarHBondContact NH2-OD2 3.45Å; D466-E468 VanDerWaalsContact C-N 3.26Å; D466-E468 PolarHBondContact O-N 3.33Å; D466-E468 VanDerWaalsContact OD1-CB 3.24Å; D466-E468 WeakPolarHBondContact OD1-CB 3.38Å; D466-E468 PolarHBondContact OD1-N 3.42Å; D466-E468 VanDerWaalsContact OD1-N 3.1Å; D466-N469 PolarHBondContact OD2-ND2 3.26Å; D466-N469 VanDerWaalsContact OD2-ND2 3.13Å; D466-N469 PolarHBondContact OD2-OD1 2.9Å
467	N	96.7	Very high	96.9	Very high	58 Å²	58	49.8 Å²	49.8	31%	0.31	25%	0.247	S	C	.	.	H	α-helix	trans	-72.9	-17.1	177.6	-70.3	-34.5	0	0	0	113.1	K465 N469 K470 V471 Y508	K465-N467 PolarHBondContact O-N 3.14Å; K465-N467 VanDerWaalsContact O-N 3.1Å; N467-N469 PolarHBondContact O-N 3.44Å; N467-K470 WeakPolarHBondContact O-CA 3.22Å; N467-K470 WeakPolarHBondContact O-CB 3.48Å; N467-K470 PolarHBondContact O-N 3.32Å; N467-K470 PolarHBondContact OD1-NZ 3.4Å; N467-V471 WeakPolarHBondContact O-CG2 3.27Å; N467-V471 PolarHBondContact O-N 3.31Å; N467-Y508 HydrophobicContact CB-CD1 4.15Å; N467-Y508 HydrophobicContact CB-CD2 3.86Å; N467-Y508 HydrophobicContact CB-CE1 4.16Å; N467-Y508 HydrophobicContact CB-CE2 3.84Å; N467-Y508 HydrophobicContact CB-CG 4.03Å; N467-Y508 WeakPolarHBondContact ND2-CD2 3.33Å
468	E	97.8	Very high	96.9	Very high	99 Å²	99	49.8 Å²	49.8	46%	0.463	25%	0.247	S	C	.	.	H	α-helix	trans	-65.5	-27.5	177.1	-65.8	-75.5	115.7	0	0	112.4	R431 D466 K470 V471 A472	R431-E468 WeakPolarHBondContact CD-O 3.49Å; R431-E468 IonicContact NH1-OE2 2.7Å; D466-E468 VanDerWaalsContact C-N 3.26Å; D466-E468 PolarHBondContact O-N 3.33Å; D466-E468 VanDerWaalsContact OD1-CB 3.24Å; D466-E468 WeakPolarHBondContact OD1-CB 3.38Å; D466-E468 PolarHBondContact OD1-N 3.42Å; D466-E468 VanDerWaalsContact OD1-N 3.1Å; E468-K470 VanDerWaalsContact C-N 3.34Å; E468-V471 PolarHBondContact O-N 3.46Å; E468-A472 VanDerWaalsContact O-CB 3.29Å; E468-A472 WeakPolarHBondContact O-CB 3.35Å; E468-A472 PolarHBondContact O-N 3.28Å
469	N	97.7	Very high	96.9	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.011	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-39.6	172.9	-62.7	-28.1	0	0	0	110.7	R431 I461 D466 N467 A472 I473	R431-N469 WeakPolarHBondContact CB-OD1 3.17Å; R431-N469 WeakPolarHBondContact CD-OD1 3.43Å; R431-N469 PolarHBondContact NE-OD1 3.32Å; I461-N469 HydrophobicContact CG2-CB 4.04Å; I461-N469 WeakPolarHBondContact O-CB 3.46Å; D466-N469 PolarHBondContact OD2-ND2 3.26Å; D466-N469 VanDerWaalsContact OD2-ND2 3.13Å; D466-N469 PolarHBondContact OD2-OD1 2.9Å; N467-N469 PolarHBondContact O-N 3.44Å; N469-A472 PolarHBondContact O-N 2.95Å; N469-I473 VanDerWaalsContact O-CG1 3.31Å; N469-I473 WeakPolarHBondContact O-CG1 3.43Å; N469-I473 PolarHBondContact O-N 3.37Å
470	K	98.5	Very high	96.9	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.017	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-42.7	173.9	-50.4	-176.6	-178.6	70.3	0	111.1	S462 G464 N467 E468 I473 K474 N504 L505 L511	S462-K470 WeakPolarHBondContact O-CE 3.36Å; G464-K470 PolarHBondContact O-NZ 3.4Å; N467-K470 WeakPolarHBondContact O-CA 3.22Å; N467-K470 WeakPolarHBondContact O-CB 3.48Å; N467-K470 PolarHBondContact O-N 3.32Å; N467-K470 PolarHBondContact OD1-NZ 3.4Å; E468-K470 VanDerWaalsContact C-N 3.34Å; K470-I473 PolarHBondContact O-N 3.45Å; K470-K474 PolarHBondContact O-N 3.11Å; K470-K474 VanDerWaalsContact O-N 3.1Å; K470-N504 VanDerWaalsContact CE-O 3.24Å; K470-N504 WeakPolarHBondContact CE-O 3.31Å; K470-L505 HydrophobicContact CB-CD2 3.7Å; K470-L505 HydrophobicContact CG-CD2 4.1Å; K470-L511 HydrophobicContact CB-CD1 3.64Å
471	V	98.3	Very high	96.9	Very high	32 Å²	32	46 Å²	46	19%	0.194	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-43.1	173.8	173.6	0	0	0	0	111.7	N467 E468 I473 K474 N475 Y508	N467-V471 WeakPolarHBondContact O-CG2 3.27Å; N467-V471 PolarHBondContact O-N 3.31Å; E468-V471 PolarHBondContact O-N 3.46Å; V471-I473 PolarHBondContact O-N 3.08Å; V471-K474 PolarHBondContact O-N 2.84Å; V471-N475 WeakPolarHBondContact CG1-ND2 3.46Å; V471-N475 WeakPolarHBondContact O-CB 3.37Å; V471-N475 VanDerWaalsContact O-CG 3.29Å; V471-N475 PolarHBondContact O-N 2.81Å; V471-Y508 HydrophobicContact CG2-CD1 4.33Å; V471-Y508 HydrophobicContact CG2-CE1 3.55Å
472	A	98.4	Very high	97	Very high	23 Å²	23	46 Å²	46	19%	0.19	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-41.9	178.3	0	0	0	0	0	112.2	R431 I436 E468 N469 N475 C476	R431-A472 HydrophobicContact CG-CB 4.12Å; I436-A472 HydrophobicContact CD1-CB 3.85Å; I436-A472 HydrophobicContact CG2-CB 4.43Å; E468-A472 VanDerWaalsContact O-CB 3.29Å; E468-A472 WeakPolarHBondContact O-CB 3.35Å; E468-A472 PolarHBondContact O-N 3.28Å; N469-A472 PolarHBondContact O-N 2.95Å; A472-N475 PolarHBondContact O-N 3.21Å; A472-C476 PolarHBondContact O-N 3.27Å; A472-C476 PolarHBondContact O-SG 3.25Å
473	I	98.6	Very high	97	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-45.9	174	-67.2	165.5	0	0	0	110.6	I436 L458 I461 N469 K470 V471 N475 C476 G478 L505	I436-I473 HydrophobicContact CG2-CB 4.37Å; I436-I473 HydrophobicContact CG2-CG1 3.59Å; L458-I473 HydrophobicContact CD2-CD1 4.21Å; L458-I473 HydrophobicContact CD2-CG1 4.08Å; I461-I473 HydrophobicContact CG2-CD1 4.42Å; N469-I473 VanDerWaalsContact O-CG1 3.31Å; N469-I473 WeakPolarHBondContact O-CG1 3.43Å; N469-I473 PolarHBondContact O-N 3.37Å; K470-I473 PolarHBondContact O-N 3.45Å; V471-I473 PolarHBondContact O-N 3.08Å; I473-N475 PolarHBondContact O-N 3.28Å; I473-C476 PolarHBondContact O-N 3.14Å; I473-C476 PolarHBondContact O-SG 2.91Å; I473-G478 WeakPolarHBondContact O-CA 3.29Å; I473-G478 PolarHBondContact O-N 3.49Å; I473-L505 HydrophobicContact CB-CD2 4.28Å; I473-L505 HydrophobicContact CD1-CD2 4.18Å; I473-L505 HydrophobicContact CG2-CD1 4.03Å; I473-L505 HydrophobicContact CG2-CD2 4.27Å
474	K	98.4	Very high	97	Very high	75 Å²	75	43.2 Å²	43.2	33%	0.326	22%	0.222	S	C	.	.	H	α-helix	trans	-66	-35.4	176.7	169.7	-97.5	161.6	-171.3	0	112.9	K470 V471 C476 D477 I479 L511 V514	K470-K474 PolarHBondContact O-N 3.11Å; K470-K474 VanDerWaalsContact O-N 3.1Å; V471-K474 PolarHBondContact O-N 2.84Å; K474-C476 PolarHBondContact O-N 3.08Å; K474-D477 PolarHBondContact O-N 3.45Å; K474-I479 HydrophobicContact CB-CD1 3.94Å; K474-I479 HydrophobicContact CG-CD1 4.12Å; K474-L511 HydrophobicContact CB-CD2 3.57Å; K474-L511 HydrophobicContact CD-CD2 3.86Å; K474-L511 HydrophobicContact CG-CD2 3.57Å; K474-V514 HydrophobicContact CG-CG1 4.2Å
475	N	98.3	Very high	97.4	Very high	105 Å²	105	42 Å²	42	56%	0.561	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-0.5	-178.8	-75.1	-12.2	0	0	0	114.4	V471 A472 I473	V471-N475 WeakPolarHBondContact CG1-ND2 3.46Å; V471-N475 WeakPolarHBondContact O-CB 3.37Å; V471-N475 VanDerWaalsContact O-CG 3.29Å; V471-N475 PolarHBondContact O-N 2.81Å; A472-N475 PolarHBondContact O-N 3.21Å; I473-N475 PolarHBondContact O-N 3.28Å
476	C	97.9	Very high	97.9	Very high	33 Å²	33	32.9 Å²	32.9	22%	0.223	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	30.9	169.2	56.3	0	0	0	0	112.3	P437 V440 A472 I473 K474 G478	P437-C476 HydrophobicContact CB-CB 4.19Å; P437-C476 HydrophobicContact CG-CB 4.09Å; V440-C476 WeakPolarHBondContact CG1-O 3.38Å; A472-C476 PolarHBondContact O-N 3.27Å; A472-C476 PolarHBondContact O-SG 3.25Å; I473-C476 PolarHBondContact O-N 3.14Å; I473-C476 PolarHBondContact O-SG 2.91Å; K474-C476 PolarHBondContact O-N 3.08Å; C476-G478 PolarHBondContact O-N 3.27Å
477	D	98.4	Very high	98.2	Very high	105 Å²	105	37.8 Å²	37.8	56%	0.561	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	27.1	178.3	-61.7	-46.9	0	0	0	115.1	K474 I479 P480 A481	K474-D477 PolarHBondContact O-N 3.45Å; D477-I479 VanDerWaalsContact C-N 3.31Å; D477-I479 PolarHBondContact O-N 3.45Å; D477-P480 HydrophobicContact CB-CB 4.37Å; D477-P480 HydrophobicContact CB-CG 4.18Å; D477-P480 VanDerWaalsContact O-CD 3.29Å; D477-P480 WeakPolarHBondContact O-CD 3.33Å; D477-A481 WeakPolarHBondContact O-CB 3.38Å; D477-A481 PolarHBondContact O-N 3.37Å
478	G	98.7	Very high	98.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-35.3	178.1	0	0	0	0	0	114	I473 C476 A481 L482	I473-G478 WeakPolarHBondContact O-CA 3.29Å; I473-G478 PolarHBondContact O-N 3.49Å; C476-G478 PolarHBondContact O-N 3.27Å; G478-A481 PolarHBondContact O-N 3.25Å; G478-L482 WeakPolarHBondContact O-CB 3.43Å; G478-L482 WeakPolarHBondContact O-CD1 3.29Å; G478-L482 WeakPolarHBondContact O-CG 3.3Å; G478-L482 PolarHBondContact O-N 2.89Å
479	I	98.8	Very high	98.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-53.8	175	-67.3	163.9	0	0	0	110.5	K474 D477 A481 L482 I483 L502 L505 V514 I515 H518	K474-I479 HydrophobicContact CB-CD1 3.94Å; K474-I479 HydrophobicContact CG-CD1 4.12Å; D477-I479 VanDerWaalsContact C-N 3.31Å; D477-I479 PolarHBondContact O-N 3.45Å; I479-A481 VanDerWaalsContact C-N 3.28Å; I479-A481 PolarHBondContact O-N 3.49Å; I479-L482 PolarHBondContact O-N 3.39Å; I479-I483 WeakPolarHBondContact O-CG1 3.31Å; I479-I483 PolarHBondContact O-N 3.19Å; I479-I483 VanDerWaalsContact O-N 3.09Å; I479-L502 HydrophobicContact CG2-CD2 4.5Å; I479-L505 HydrophobicContact CD1-CD1 4.49Å; I479-L505 HydrophobicContact CG1-CD1 3.84Å; I479-V514 HydrophobicContact CD1-CB 4.25Å; I479-V514 HydrophobicContact CD1-CG1 3.82Å; I479-V514 HydrophobicContact CG2-CG1 4.44Å; I479-I515 HydrophobicContact CD1-CG1 3.91Å; I479-I515 HydrophobicContact CG1-CG1 4.35Å; I479-I515 HydrophobicContact CG2-CG1 4.17Å; I479-H518 HydrophobicContact CG2-CB 4.3Å
480	P	98.7	Very high	97.9	Very high	22 Å²	22	44.1 Å²	44.1	14%	0.143	22%	0.217	C	C	.	.	H	α-helix	trans	-51.3	-39.5	167.8	-30.1	33.3	0	0	0	115.1	D477 I483 R484	D477-P480 HydrophobicContact CB-CB 4.37Å; D477-P480 HydrophobicContact CB-CG 4.18Å; D477-P480 VanDerWaalsContact O-CD 3.29Å; D477-P480 WeakPolarHBondContact O-CD 3.33Å; P480-I483 PolarHBondContact O-N 3.38Å; P480-R484 WeakPolarHBondContact O-CG 3.47Å; P480-R484 PolarHBondContact O-N 3.24Å
481	A	98.8	Very high	97.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-46.6	179.8	0	0	0	0	0	112.6	V440 L443 D477 G478 I479 I483 R484 L485	V440-A481 HydrophobicContact CG1-CB 4.01Å; L443-A481 HydrophobicContact CB-CB 4.32Å; L443-A481 HydrophobicContact CD1-CB 3.84Å; D477-A481 WeakPolarHBondContact O-CB 3.38Å; D477-A481 PolarHBondContact O-N 3.37Å; G478-A481 PolarHBondContact O-N 3.25Å; I479-A481 VanDerWaalsContact C-N 3.28Å; I479-A481 PolarHBondContact O-N 3.49Å; A481-I483 VanDerWaalsContact C-N 3.3Å; A481-I483 PolarHBondContact O-N 3.39Å; A481-R484 WeakPolarHBondContact O-CB 3.42Å; A481-R484 PolarHBondContact O-N 3.47Å; A481-L485 PolarHBondContact O-N 2.91Å
482	L	98.8	Very high	97.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.7	-43.6	173.8	-73.1	166.9	0	0	0	111.5	L443 G478 I479 L485 L486 I498 T501 L502 L505	L443-L482 HydrophobicContact CD1-CD2 3.93Å; L443-L482 HydrophobicContact CD1-CG 4.01Å; G478-L482 WeakPolarHBondContact O-CB 3.43Å; G478-L482 WeakPolarHBondContact O-CD1 3.29Å; G478-L482 WeakPolarHBondContact O-CG 3.3Å; G478-L482 PolarHBondContact O-N 2.89Å; I479-L482 PolarHBondContact O-N 3.39Å; L482-L485 PolarHBondContact O-N 3.48Å; L482-L486 PolarHBondContact O-N 3.41Å; L482-I498 HydrophobicContact CB-CG2 4.1Å; L482-I498 HydrophobicContact CD2-CB 4.37Å; L482-I498 HydrophobicContact CD2-CG1 4.09Å; L482-I498 HydrophobicContact CD2-CG2 4.22Å; L482-T501 HydrophobicContact CD1-CG2 3.67Å; L482-T501 HydrophobicContact CD2-CG2 4.36Å; L482-L502 HydrophobicContact CB-CD2 4.23Å; L482-L502 HydrophobicContact CB-CG 4.45Å; L482-L502 HydrophobicContact CD1-CD2 4.07Å; L482-L502 HydrophobicContact CD1-CG 4.36Å; L482-L505 HydrophobicContact CD1-CD1 3.99Å
483	I	98.6	Very high	97.5	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-73	-28.9	177.8	-64.1	-62.2	0	0	0	113.1	I479 P480 A481 L486 R487 L502 H518 G519 T522 M523	I479-I483 WeakPolarHBondContact O-CG1 3.31Å; I479-I483 PolarHBondContact O-N 3.19Å; I479-I483 VanDerWaalsContact O-N 3.09Å; P480-I483 PolarHBondContact O-N 3.38Å; A481-I483 VanDerWaalsContact C-N 3.3Å; A481-I483 PolarHBondContact O-N 3.39Å; I483-L486 HydrophobicContact CD1-CD2 4.46Å; I483-R487 PolarHBondContact O-NE 3.38Å; I483-L502 HydrophobicContact CD1-CD1 3.65Å; I483-L502 HydrophobicContact CD1-CD2 4.41Å; I483-H518 WeakPolarHBondContact CG2-O 3.49Å; I483-G519 VanDerWaalsContact CD1-CA 3.5Å; I483-T522 HydrophobicContact CG2-CG2 4.03Å; I483-M523 HydrophobicContact CD1-CG 4.33Å
484	R	98.2	Very high	97.4	Very high	88 Å²	88	52.9 Å²	52.9	33%	0.332	25%	0.254	S	S	.	.	H	α-helix	trans	-65.3	-42.8	167.6	-79.1	-168	-56.7	-84.7	7.6	111	D444 P480 A481 K488	D444-R484 IonicContact OD1-NE 3.73Å; D444-R484 IonicContact OD2-CZ 4Å; D444-R484 VanDerWaalsContact OD2-CZ 3.22Å; D444-R484 IonicContact OD2-NE 2.71Å; D444-R484 PolarHBondContact OD2-NE 2.96Å; D444-R484 IonicContact OD2-NH2 2.68Å; D444-R484 PolarHBondContact OD2-NH2 2.86Å; P480-R484 WeakPolarHBondContact O-CG 3.47Å; P480-R484 PolarHBondContact O-N 3.24Å; A481-R484 WeakPolarHBondContact O-CB 3.42Å; A481-R484 PolarHBondContact O-N 3.47Å; R484-K488 WeakPolarHBondContact O-CD 3.36Å; R484-K488 VanDerWaalsContact O-CG 3.27Å; R484-K488 WeakPolarHBondContact O-CG 3.35Å
485	L	98.3	Very high	97.4	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-70.3	-39.5	-177.9	-171.1	58.3	0	0	0	111.8	L443 H451 A481 L482 R487 K488 T489 V494 I498	L443-L485 HydrophobicContact CB-CD2 4.44Å; L443-L485 HydrophobicContact CD2-CD2 4.11Å; H451-L485 HydrophobicContact CB-CD2 4.03Å; A481-L485 PolarHBondContact O-N 2.91Å; L482-L485 PolarHBondContact O-N 3.48Å; L485-R487 VanDerWaalsContact C-N 3.29Å; L485-R487 PolarHBondContact O-N 3.07Å; L485-K488 PolarHBondContact O-N 3.05Å; L485-T489 HydrophobicContact CG-CG2 4.45Å; L485-T489 VanDerWaalsContact O-CG2 3.24Å; L485-T489 WeakPolarHBondContact O-CG2 3.19Å; L485-T489 PolarHBondContact O-N 3.45Å; L485-T489 VanDerWaalsContact O-N 3.17Å; L485-V494 HydrophobicContact CD2-CG1 3.95Å; L485-V494 HydrophobicContact CG-CG1 4.23Å; L485-I498 HydrophobicContact CB-CD1 3.87Å; L485-I498 HydrophobicContact CD2-CD1 3.83Å; L485-I498 HydrophobicContact CD2-CG1 4.3Å; L485-I498 HydrophobicContact CG-CD1 3.68Å
486	L	98.3	Very high	97.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.9	-40.3	178.3	-174.7	54.4	0	0	0	113	L482 I483 K488 R495 I498 T499 T522 M523 V527	L482-L486 PolarHBondContact O-N 3.41Å; I483-L486 HydrophobicContact CD1-CD2 4.46Å; L486-K488 VanDerWaalsContact C-N 3.33Å; L486-R495 HydrophobicContact CD1-CB 4.34Å; L486-R495 HydrophobicContact CD1-CG 4.11Å; L486-I498 HydrophobicContact CB-CD1 4.4Å; L486-I498 HydrophobicContact CB-CG2 4.17Å; L486-T499 HydrophobicContact CD1-CG2 4.45Å; L486-T499 HydrophobicContact CD2-CG2 4.47Å; L486-T522 HydrophobicContact CB-CG2 4.45Å; L486-T522 HydrophobicContact CD2-CG2 4.02Å; L486-T522 HydrophobicContact CG-CG2 4.24Å; L486-M523 HydrophobicContact CD2-CG 4.35Å; L486-V527 HydrophobicContact CD1-CG2 4.38Å
487	R	96.8	Very high	97.4	Very high	142 Å²	142	46.3 Å²	46.3	54%	0.536	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-11.3	176.4	-67.6	-177.1	-70	152.4	-3.2	114.9	I483 L485 T522 E526	I483-R487 PolarHBondContact O-NE 3.38Å; L485-R487 VanDerWaalsContact C-N 3.29Å; L485-R487 PolarHBondContact O-N 3.07Å; R487-T522 HydrophobicContact CG-CG2 3.42Å; R487-T522 VanDerWaalsContact CG-CG2 3.42Å; R487-E526 HydrophobicContact CG-CG 4.07Å
488	K	95.3	Very high	97.4	Very high	132 Å²	132	41.3 Å²	41.3	57%	0.574	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-16.5	-178.7	-73.9	172.6	178.8	-175.9	0	112.7	D444 R484 L485 L486	D444-K488 IonicContact OD1-NZ 3.38Å; D444-K488 PolarHBondContact OD1-NZ 3.44Å; R484-K488 WeakPolarHBondContact O-CD 3.36Å; R484-K488 VanDerWaalsContact O-CG 3.27Å; R484-K488 WeakPolarHBondContact O-CG 3.35Å; L485-K488 PolarHBondContact O-N 3.05Å; L486-K488 VanDerWaalsContact C-N 3.33Å
489	T	95.8	Very high	97.4	Very high	10 Å²	10	41.4 Å²	41.4	6%	0.061	19%	0.192	C	C	.	.			trans	-124.5	131.9	-165.7	-164.4	0	0	0	0	113.6	L485 D491 V494 R495 I498	L485-T489 HydrophobicContact CG-CG2 4.45Å; L485-T489 VanDerWaalsContact O-CG2 3.24Å; L485-T489 WeakPolarHBondContact O-CG2 3.19Å; L485-T489 PolarHBondContact O-N 3.45Å; L485-T489 VanDerWaalsContact O-N 3.17Å; T489-D491 WeakPolarHBondContact OG1-CB 3.31Å; T489-D491 PolarHBondContact OG1-N 2.99Å; T489-V494 HydrophobicContact CG2-CB 4.24Å; T489-V494 HydrophobicContact CG2-CG1 3.74Å; T489-R495 HydrophobicContact CG2-CG 3.93Å; T489-R495 VanDerWaalsContact O-CD 3.32Å; T489-R495 WeakPolarHBondContact O-CD 3.49Å; T489-R495 PolarHBondContact O-NH1 3.02Å; T489-R495 VanDerWaalsContact O-NH1 3.08Å; T489-I498 HydrophobicContact CG2-CD1 4.24Å
490	N	93.8	Very high	97.4	Very high	149 Å²	149	41.5 Å²	41.5	80%	0.797	19%	0.193	S	C	*	.			trans	-100	-1.8	172.3	-61.1	-13.5	0	0	0	111.4	M492	N490-M492 PolarHBondContact O-N 3.31Å
491	D	95.6	Very high	97.4	Very high	51 Å²	51	40.5 Å²	40.5	27%	0.273	19%	0.186	S	C	.	.			trans	-69.9	111.6	176	-179.3	-32.9	0	0	0	109.2	S448 T489 E493 V494 R495	S448-D491 PolarHBondContact OG-OD2 3.13Å; T489-D491 WeakPolarHBondContact OG1-CB 3.31Å; T489-D491 PolarHBondContact OG1-N 2.99Å; D491-E493 VanDerWaalsContact C-N 3.34Å; D491-E493 PolarHBondContact O-N 3.13Å; D491-E493 PolarHBondContact OD1-N 3.43Å; D491-E493 VanDerWaalsContact OD1-N 3.14Å; D491-V494 HydrophobicContact CB-CB 4.03Å; D491-V494 HydrophobicContact CB-CG2 4Å; D491-V494 VanDerWaalsContact CG-CG2 3.47Å; D491-V494 PolarHBondContact O-N 3.17Å; D491-V494 PolarHBondContact OD1-N 3.42Å; D491-V494 VanDerWaalsContact OD1-N 3.15Å; D491-V494 WeakPolarHBondContact OD2-CG2 3.36Å; D491-R495 VanDerWaalsContact O-CG 3.25Å; D491-R495 WeakPolarHBondContact O-CG 3.27Å; D491-R495 PolarHBondContact O-N 2.89Å
492	M	94.8	Very high	97.5	Very high	85 Å²	85	40.5 Å²	40.5	42%	0.419	19%	0.186	S	C	.	.	H	α-helix	trans	-68.4	-29.8	-172.8	-72.2	-63.8	-75.5	0	0	113.3	N490 R495 E496 T550 V552	N490-M492 PolarHBondContact O-N 3.31Å; M492-R495 PolarHBondContact O-N 3.3Å; M492-E496 PolarHBondContact O-N 3.45Å; M492-T550 HydrophobicContact CE-CG2 4.32Å; M492-V552 HydrophobicContact CE-CB 4.38Å; M492-V552 HydrophobicContact CE-CG2 3.62Å; M492-V552 HydrophobicContact SD-CG2 4.34Å
493	E	96.1	Very high	97.5	Very high	108 Å²	108	43.7 Å²	43.7	51%	0.505	20%	0.198	S	C	.	.	H	α-helix	trans	-65.9	-45.5	172.5	-65.6	-176.8	-145.3	0	0	110.4	R452 D491 R495 E496 L497	R452-E493 WeakPolarHBondContact CD-OE2 3.28Å; R452-E493 IonicContact CZ-OE2 3.89Å; R452-E493 IonicContact NE-OE2 2.7Å; R452-E493 IonicContact NH1-OE1 2.99Å; R452-E493 PolarHBondContact NH1-OE1 3.08Å; R452-E493 IonicContact NH1-OE2 3.77Å; R452-E493 PolarHBondContact NH1-OE2 3.31Å; D491-E493 VanDerWaalsContact C-N 3.34Å; D491-E493 PolarHBondContact O-N 3.13Å; D491-E493 PolarHBondContact OD1-N 3.43Å; D491-E493 VanDerWaalsContact OD1-N 3.14Å; E493-R495 VanDerWaalsContact C-N 3.35Å; E493-R495 PolarHBondContact O-N 3.29Å; E493-E496 WeakPolarHBondContact O-CB 3.2Å; E493-E496 PolarHBondContact O-N 2.69Å; E493-L497 WeakPolarHBondContact O-CG 3.32Å; E493-L497 PolarHBondContact O-N 3.03Å
494	V	97.7	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-42	177.9	177	0	0	0	0	110.6	R452 L485 T489 D491 E496 L497 I498	R452-V494 HydrophobicContact CB-CG2 3.78Å; R452-V494 HydrophobicContact CG-CG2 3.89Å; L485-V494 HydrophobicContact CD2-CG1 3.95Å; L485-V494 HydrophobicContact CG-CG1 4.23Å; T489-V494 HydrophobicContact CG2-CB 4.24Å; T489-V494 HydrophobicContact CG2-CG1 3.74Å; D491-V494 HydrophobicContact CB-CB 4.03Å; D491-V494 HydrophobicContact CB-CG2 4Å; D491-V494 VanDerWaalsContact CG-CG2 3.47Å; D491-V494 PolarHBondContact O-N 3.17Å; D491-V494 PolarHBondContact OD1-N 3.42Å; D491-V494 VanDerWaalsContact OD1-N 3.15Å; D491-V494 WeakPolarHBondContact OD2-CG2 3.36Å; V494-E496 VanDerWaalsContact C-N 3.3Å; V494-E496 PolarHBondContact O-N 2.93Å; V494-L497 PolarHBondContact O-N 2.87Å; V494-I498 HydrophobicContact CG1-CD1 3.8Å; V494-I498 HydrophobicContact CG1-CG1 4.44Å; V494-I498 WeakPolarHBondContact O-CB 3.36Å; V494-I498 WeakPolarHBondContact O-CD1 3.31Å; V494-I498 WeakPolarHBondContact O-CG1 3.33Å; V494-I498 PolarHBondContact O-N 3.06Å
495	R	98.2	Very high	97.5	Very high	18 Å²	18	40.8 Å²	40.8	7%	0.068	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-37.6	174.4	-67.1	164.5	71.9	85.8	-2.8	111.6	L486 T489 D491 M492 E493 T499 E526 V552	L486-R495 HydrophobicContact CD1-CB 4.34Å; L486-R495 HydrophobicContact CD1-CG 4.11Å; T489-R495 HydrophobicContact CG2-CG 3.93Å; T489-R495 VanDerWaalsContact O-CD 3.32Å; T489-R495 WeakPolarHBondContact O-CD 3.49Å; T489-R495 PolarHBondContact O-NH1 3.02Å; T489-R495 VanDerWaalsContact O-NH1 3.08Å; D491-R495 VanDerWaalsContact O-CG 3.25Å; D491-R495 WeakPolarHBondContact O-CG 3.27Å; D491-R495 PolarHBondContact O-N 2.89Å; M492-R495 PolarHBondContact O-N 3.3Å; E493-R495 VanDerWaalsContact C-N 3.35Å; E493-R495 PolarHBondContact O-N 3.29Å; R495-T499 WeakPolarHBondContact O-CB 3.38Å; R495-T499 VanDerWaalsContact O-CG2 3.29Å; R495-T499 WeakPolarHBondContact O-CG2 3.44Å; R495-T499 PolarHBondContact O-N 3.47Å; R495-T499 PolarHBondContact O-OG1 2.87Å; R495-E526 PolarHBondContact NH2-O 3.34Å; R495-V552 HydrophobicContact CB-CG1 3.99Å; R495-V552 HydrophobicContact CB-CG2 4.03Å
496	E	98.1	Very high	97.5	Very high	36 Å²	36	40.7 Å²	40.7	17%	0.168	19%	0.189	C	C	.	.	H	α-helix	trans	-66.2	-49.8	173.8	-163.4	-163.2	116.9	0	0	112	R459 M492 E493 V494 I498 T499 G500 T551 V552 N555	R459-E496 IonicContact CZ-OE1 3.25Å; R459-E496 IonicContact NH1-OE1 2.98Å; R459-E496 PolarHBondContact NH1-OE1 3.29Å; R459-E496 IonicContact NH2-OE1 3.15Å; M492-E496 PolarHBondContact O-N 3.45Å; E493-E496 WeakPolarHBondContact O-CB 3.2Å; E493-E496 PolarHBondContact O-N 2.69Å; V494-E496 VanDerWaalsContact C-N 3.3Å; V494-E496 PolarHBondContact O-N 2.93Å; E496-I498 VanDerWaalsContact C-N 3.26Å; E496-I498 PolarHBondContact O-N 3.09Å; E496-T499 PolarHBondContact O-N 3.32Å; E496-T499 PolarHBondContact O-OG1 3.21Å; E496-T499 VanDerWaalsContact O-OG1 3.13Å; E496-G500 PolarHBondContact O-N 2.89Å; E496-T551 HydrophobicContact CG-CG2 3.55Å; E496-T551 WeakPolarHBondContact OE2-CB 3.26Å; E496-T551 WeakPolarHBondContact OE2-CG2 3.39Å; E496-V552 HydrophobicContact CB-CG2 4.32Å; E496-N555 WeakPolarHBondContact CG-ND2 3.37Å; E496-N555 PolarHBondContact O-ND2 2.9Å
497	L	98.6	Very high	97.4	Very high	21 Å²	21	44.1 Å²	44.1	11%	0.11	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-39.2	-179.8	-68.5	176.3	0	0	0	111.7	R452 C455 E493 V494 T501	R452-L497 HydrophobicContact CG-CD1 4.06Å; R452-L497 WeakPolarHBondContact O-CD1 3.47Å; C455-L497 HydrophobicContact CB-CB 4.21Å; C455-L497 VanDerWaalsContact SG-C 3.57Å; E493-L497 WeakPolarHBondContact O-CG 3.32Å; E493-L497 PolarHBondContact O-N 3.03Å; V494-L497 PolarHBondContact O-N 2.87Å; L497-T501 WeakPolarHBondContact O-CB 3.26Å; L497-T501 PolarHBondContact O-N 3.15Å; L497-T501 PolarHBondContact O-OG1 2.9Å
498	I	98.8	Very high	97.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-54.4	174.8	-69	161.7	0	0	0	111.1	L482 L485 L486 T489 V494 E496 G500 T501 L502	L482-I498 HydrophobicContact CB-CG2 4.1Å; L482-I498 HydrophobicContact CD2-CB 4.37Å; L482-I498 HydrophobicContact CD2-CG1 4.09Å; L482-I498 HydrophobicContact CD2-CG2 4.22Å; L485-I498 HydrophobicContact CB-CD1 3.87Å; L485-I498 HydrophobicContact CD2-CD1 3.83Å; L485-I498 HydrophobicContact CD2-CG1 4.3Å; L485-I498 HydrophobicContact CG-CD1 3.68Å; L486-I498 HydrophobicContact CB-CD1 4.4Å; L486-I498 HydrophobicContact CB-CG2 4.17Å; T489-I498 HydrophobicContact CG2-CD1 4.24Å; V494-I498 HydrophobicContact CG1-CD1 3.8Å; V494-I498 HydrophobicContact CG1-CG1 4.44Å; V494-I498 WeakPolarHBondContact O-CB 3.36Å; V494-I498 WeakPolarHBondContact O-CD1 3.31Å; V494-I498 WeakPolarHBondContact O-CG1 3.33Å; V494-I498 PolarHBondContact O-N 3.06Å; E496-I498 VanDerWaalsContact C-N 3.26Å; E496-I498 PolarHBondContact O-N 3.09Å; I498-G500 VanDerWaalsContact C-N 3.34Å; I498-G500 PolarHBondContact O-N 2.9Å; I498-T501 WeakPolarHBondContact O-CB 3.4Å; I498-T501 PolarHBondContact O-N 3.04Å; I498-T501 VanDerWaalsContact O-N 3.13Å; I498-L502 HydrophobicContact CG2-CD1 3.84Å; I498-L502 HydrophobicContact CG2-CG 4.45Å; I498-L502 WeakPolarHBondContact O-CG 3.47Å; I498-L502 PolarHBondContact O-N 3.41Å
499	T	98.7	Very high	97.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-67.6	-34.6	-174.8	52.4	0	0	0	0	112	L486 R495 E496 L502 W503 V552 N555 T556	L486-T499 HydrophobicContact CD1-CG2 4.45Å; L486-T499 HydrophobicContact CD2-CG2 4.47Å; R495-T499 WeakPolarHBondContact O-CB 3.38Å; R495-T499 VanDerWaalsContact O-CG2 3.29Å; R495-T499 WeakPolarHBondContact O-CG2 3.44Å; R495-T499 PolarHBondContact O-N 3.47Å; R495-T499 PolarHBondContact O-OG1 2.87Å; E496-T499 PolarHBondContact O-N 3.32Å; E496-T499 PolarHBondContact O-OG1 3.21Å; E496-T499 VanDerWaalsContact O-OG1 3.13Å; T499-L502 PolarHBondContact O-N 3.35Å; T499-W503 WeakPolarHBondContact O-CB 3.47Å; T499-W503 PolarHBondContact O-N 3.01Å; T499-V552 HydrophobicContact CG2-CG1 3.83Å; T499-N555 WeakPolarHBondContact OG1-CB 3.13Å; T499-T556 WeakPolarHBondContact CG2-OG1 3.38Å
500	G	98.7	Very high	97.6	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-65.7	-38.2	170.4	0	0	0	0	0	112.9	E496 I498 W503 N504 N555	E496-G500 PolarHBondContact O-N 2.89Å; I498-G500 VanDerWaalsContact C-N 3.34Å; I498-G500 PolarHBondContact O-N 2.9Å; G500-W503 PolarHBondContact O-N 2.9Å; G500-N504 PolarHBondContact O-N 3.44Å; G500-N555 PolarHBondContact N-ND2 3.39Å
501	T	98.8	Very high	97.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.4	-42.5	173.2	-56	0	0	0	0	111.2	L458 R459 L482 L497 I498 W503 N504 L505	L458-T501 HydrophobicContact CB-CG2 4.39Å; R459-T501 WeakPolarHBondContact CA-OG1 3.37Å; R459-T501 WeakPolarHBondContact CB-OG1 3.44Å; R459-T501 PolarHBondContact N-OG1 3.46Å; L482-T501 HydrophobicContact CD1-CG2 3.67Å; L482-T501 HydrophobicContact CD2-CG2 4.36Å; L497-T501 WeakPolarHBondContact O-CB 3.26Å; L497-T501 PolarHBondContact O-N 3.15Å; L497-T501 PolarHBondContact O-OG1 2.9Å; I498-T501 WeakPolarHBondContact O-CB 3.4Å; I498-T501 PolarHBondContact O-N 3.04Å; I498-T501 VanDerWaalsContact O-N 3.13Å; T501-W503 VanDerWaalsContact C-N 3.32Å; T501-W503 PolarHBondContact O-N 3.37Å; T501-N504 PolarHBondContact O-N 2.82Å; T501-L505 HydrophobicContact CG2-CD1 4.19Å; T501-L505 VanDerWaalsContact O-CG 3.27Å; T501-L505 WeakPolarHBondContact O-CG 3.43Å; T501-L505 PolarHBondContact O-N 3.43Å
502	L	98.9	Very high	97.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-36.9	174.8	-68.7	168.1	0	0	0	111.9	I479 L482 I483 I498 T499 L505 S506 M523 C559	I479-L502 HydrophobicContact CG2-CD2 4.5Å; L482-L502 HydrophobicContact CB-CD2 4.23Å; L482-L502 HydrophobicContact CB-CG 4.45Å; L482-L502 HydrophobicContact CD1-CD2 4.07Å; L482-L502 HydrophobicContact CD1-CG 4.36Å; I483-L502 HydrophobicContact CD1-CD1 3.65Å; I483-L502 HydrophobicContact CD1-CD2 4.41Å; I498-L502 HydrophobicContact CG2-CD1 3.84Å; I498-L502 HydrophobicContact CG2-CG 4.45Å; I498-L502 WeakPolarHBondContact O-CG 3.47Å; I498-L502 PolarHBondContact O-N 3.41Å; T499-L502 PolarHBondContact O-N 3.35Å; L502-L505 PolarHBondContact O-N 3.47Å; L502-S506 WeakPolarHBondContact O-CB 3.4Å; L502-S506 PolarHBondContact O-N 3.22Å; L502-S506 PolarHBondContact O-OG 2.88Å; L502-M523 HydrophobicContact CD1-SD 4.14Å; L502-C559 VanDerWaalsContact C-SG 3.6Å; L502-C559 PolarHBondContact O-SG 3.02Å; L502-C559 VanDerWaalsContact O-SG 3.34Å
503	W	98.8	Very high	98.1	Very high	67 Å²	67	31 Å²	31	25%	0.254	16%	0.157	S	C	.	.	H	α-helix	trans	-62.6	-48.2	172.8	-167.2	10.7	0	0	0	111.3	T499 G500 T501 L505 S506 N555 G558 C559	T499-W503 WeakPolarHBondContact O-CB 3.47Å; T499-W503 PolarHBondContact O-N 3.01Å; G500-W503 PolarHBondContact O-N 2.9Å; T501-W503 VanDerWaalsContact C-N 3.32Å; T501-W503 PolarHBondContact O-N 3.37Å; W503-L505 VanDerWaalsContact C-N 3.32Å; W503-L505 PolarHBondContact O-N 3.47Å; W503-S506 PolarHBondContact O-N 3.24Å; W503-S506 PolarHBondContact O-OG 2.97Å; W503-N555 HydrophobicContact CE3-CB 4.12Å; W503-N555 WeakPolarHBondContact CZ3-OD1 3.36Å; W503-G558 VanDerWaalsContact NE1-C 3.27Å; W503-G558 PolarHBondContact NE1-O 3.06Å; W503-C559 HydrophobicContact CB-CB 4.3Å
504	N	98.6	Very high	98.2	Very high	31 Å²	31	27.4 Å²	27.4	17%	0.166	14%	0.142	C	C	.	.	H	α-helix	trans	-57.4	-41	174.1	-72.2	-13.9	0	0	0	113	R459 S462 K470 G500 T501 S507	R459-N504 PolarHBondContact O-ND2 2.89Å; S462-N504 WeakPolarHBondContact OG-CB 3.5Å; S462-N504 PolarHBondContact OG-ND2 3.28Å; K470-N504 VanDerWaalsContact CE-O 3.24Å; K470-N504 WeakPolarHBondContact CE-O 3.31Å; G500-N504 PolarHBondContact O-N 3.44Å; T501-N504 PolarHBondContact O-N 2.82Å; N504-S507 PolarHBondContact O-OG 2.93Å; N504-S507 VanDerWaalsContact O-OG 3.1Å
505	L	98.7	Very high	98.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-70.3	-37.5	179.1	-67.5	171.7	0	0	0	112.3	K470 I473 I479 L482 T501 L502 W503 S507 Y508 L511 I515	K470-L505 HydrophobicContact CB-CD2 3.7Å; K470-L505 HydrophobicContact CG-CD2 4.1Å; I473-L505 HydrophobicContact CB-CD2 4.28Å; I473-L505 HydrophobicContact CD1-CD2 4.18Å; I473-L505 HydrophobicContact CG2-CD1 4.03Å; I473-L505 HydrophobicContact CG2-CD2 4.27Å; I479-L505 HydrophobicContact CD1-CD1 4.49Å; I479-L505 HydrophobicContact CG1-CD1 3.84Å; L482-L505 HydrophobicContact CD1-CD1 3.99Å; T501-L505 HydrophobicContact CG2-CD1 4.19Å; T501-L505 VanDerWaalsContact O-CG 3.27Å; T501-L505 WeakPolarHBondContact O-CG 3.43Å; T501-L505 PolarHBondContact O-N 3.43Å; L502-L505 PolarHBondContact O-N 3.47Å; W503-L505 VanDerWaalsContact C-N 3.32Å; W503-L505 PolarHBondContact O-N 3.47Å; L505-S507 PolarHBondContact O-N 3.1Å; L505-Y508 PolarHBondContact O-N 2.99Å; L505-L511 HydrophobicContact CB-CD1 4.43Å; L505-L511 HydrophobicContact CD2-CD1 4.2Å; L505-I515 HydrophobicContact CB-CD1 3.97Å
506	S	98.4	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.5	-16.1	-179.6	68.9	0	0	0	0	114.8	L502 W503 Y508 K512 N562	L502-S506 WeakPolarHBondContact O-CB 3.4Å; L502-S506 PolarHBondContact O-N 3.22Å; L502-S506 PolarHBondContact O-OG 2.88Å; W503-S506 PolarHBondContact O-N 3.24Å; W503-S506 PolarHBondContact O-OG 2.97Å; S506-Y508 PolarHBondContact O-N 3Å; S506-K512 WeakPolarHBondContact O-CE 3.47Å; S506-N562 VanDerWaalsContact OG-CB 3.3Å; S506-N562 WeakPolarHBondContact OG-CB 3.49Å; S506-N562 PolarHBondContact OG-ND2 3.29Å
507	S	97.3	Very high	98.3	Very high	72 Å²	72	29.3 Å²	29.3	50%	0.503	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-4.2	178	83.8	0	0	0	0	113.8	N504 L505	N504-S507 PolarHBondContact O-OG 2.93Å; N504-S507 VanDerWaalsContact O-OG 3.1Å; L505-S507 PolarHBondContact O-N 3.1Å
508	Y	97.6	Very high	98.2	Very high	62 Å²	62	33 Å²	33	24%	0.243	17%	0.172	C	C	.	.	S	Bend	trans	-119.4	113	-177.6	-179.2	-127.1	0	0	0	110.6	N467 V471 L505 S506 P510 L511	N467-Y508 HydrophobicContact CB-CD1 4.15Å; N467-Y508 HydrophobicContact CB-CD2 3.86Å; N467-Y508 HydrophobicContact CB-CE1 4.16Å; N467-Y508 HydrophobicContact CB-CE2 3.84Å; N467-Y508 HydrophobicContact CB-CG 4.03Å; N467-Y508 WeakPolarHBondContact ND2-CD2 3.33Å; V471-Y508 HydrophobicContact CG2-CD1 4.33Å; V471-Y508 HydrophobicContact CG2-CE1 3.55Å; L505-Y508 PolarHBondContact O-N 2.99Å; S506-Y508 PolarHBondContact O-N 3Å; Y508-P510 VanDerWaalsContact C-CD 3.47Å; Y508-P510 HydrophobicContact CD1-CG 4.48Å; Y508-P510 HydrophobicContact CE1-CB 4.24Å; Y508-P510 HydrophobicContact CE1-CG 3.89Å; Y508-P510 HydrophobicContact CE2-CG 4.12Å; Y508-P510 VanDerWaalsContact O-N 3.15Å; Y508-L511 HydrophobicContact CD1-CD1 3.93Å; Y508-L511 HydrophobicContact CD1-CG 3.86Å; Y508-L511 WeakPolarHBondContact O-CB 3.36Å; Y508-L511 PolarHBondContact O-N 3.11Å
509	E	96.3	Very high	98.2	Very high	90 Å²	90	33 Å²	33	42%	0.421	17%	0.172	S	C	.	.	H	α-helix	trans	-41.9	-51.4	-170.1	-142	64.8	-146.9	0	0	114.9	L511 K512	E509-L511 PolarHBondContact O-N 2.76Å; E509-K512 VanDerWaalsContact CD-CE 3.42Å; E509-K512 PolarHBondContact O-N 3.26Å; E509-K512 VanDerWaalsContact OE1-CD 3.3Å; E509-K512 WeakPolarHBondContact OE1-CD 3.4Å; E509-K512 VanDerWaalsContact OE1-CE 3.3Å; E509-K512 WeakPolarHBondContact OE1-CE 3.08Å; E509-K512 IonicContact OE1-NZ 3.59Å; E509-K512 PolarHBondContact OE1-NZ 3.29Å; E509-K512 WeakPolarHBondContact OE2-CE 3.34Å; E509-K512 IonicContact OE2-NZ 3.52Å; E509-K512 PolarHBondContact OE2-NZ 2.84Å
510	P	97	Very high	98.2	Very high	83 Å²	83	33.6 Å²	33.6	54%	0.539	18%	0.175	S	C	.	.	H	α-helix	trans	-66	-4.5	-175.4	-21.6	36.2	0	0	0	115.3	Y508	Y508-P510 VanDerWaalsContact C-CD 3.47Å; Y508-P510 HydrophobicContact CD1-CG 4.48Å; Y508-P510 HydrophobicContact CE1-CB 4.24Å; Y508-P510 HydrophobicContact CE1-CG 3.89Å; Y508-P510 HydrophobicContact CE2-CG 4.12Å; Y508-P510 VanDerWaalsContact O-N 3.15Å
511	L	98.1	Very high	98.2	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-103.8	-15	176.5	-56.3	-176.7	0	0	0	113.3	K470 K474 L505 Y508 E509 V514 I515	K470-L511 HydrophobicContact CB-CD1 3.64Å; K474-L511 HydrophobicContact CB-CD2 3.57Å; K474-L511 HydrophobicContact CD-CD2 3.86Å; K474-L511 HydrophobicContact CG-CD2 3.57Å; L505-L511 HydrophobicContact CB-CD1 4.43Å; L505-L511 HydrophobicContact CD2-CD1 4.2Å; Y508-L511 HydrophobicContact CD1-CD1 3.93Å; Y508-L511 HydrophobicContact CD1-CG 3.86Å; Y508-L511 WeakPolarHBondContact O-CB 3.36Å; Y508-L511 PolarHBondContact O-N 3.11Å; E509-L511 PolarHBondContact O-N 2.76Å; L511-V514 WeakPolarHBondContact O-CA 3.45Å; L511-V514 WeakPolarHBondContact O-CB 3.48Å; L511-V514 PolarHBondContact O-N 3.02Å; L511-I515 WeakPolarHBondContact O-CG1 3.49Å; L511-I515 PolarHBondContact O-N 3.12Å
512	K	98.3	Very high	98.2	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-52.3	-174	-68	-179.2	-179.8	-176.7	0	112.2	S506 E509 V514 I515 I516 N562 V563 S565 D566	S506-K512 WeakPolarHBondContact O-CE 3.47Å; E509-K512 VanDerWaalsContact CD-CE 3.42Å; E509-K512 PolarHBondContact O-N 3.26Å; E509-K512 VanDerWaalsContact OE1-CD 3.3Å; E509-K512 WeakPolarHBondContact OE1-CD 3.4Å; E509-K512 VanDerWaalsContact OE1-CE 3.3Å; E509-K512 WeakPolarHBondContact OE1-CE 3.08Å; E509-K512 IonicContact OE1-NZ 3.59Å; E509-K512 PolarHBondContact OE1-NZ 3.29Å; E509-K512 WeakPolarHBondContact OE2-CE 3.34Å; E509-K512 IonicContact OE2-NZ 3.52Å; E509-K512 PolarHBondContact OE2-NZ 2.84Å; K512-V514 PolarHBondContact O-N 3.41Å; K512-I515 PolarHBondContact O-N 2.85Å; K512-I515 VanDerWaalsContact O-N 3.16Å; K512-I516 WeakPolarHBondContact O-CG1 3.34Å; K512-I516 PolarHBondContact O-N 2.65Å; K512-N562 WeakPolarHBondContact CD-O 3.25Å; K512-N562 WeakPolarHBondContact CE-O 3.42Å; K512-N562 PolarHBondContact NZ-O 3.36Å; K512-V563 HydrophobicContact CB-CB 4.1Å; K512-V563 HydrophobicContact CB-CG1 3.99Å; K512-V563 HydrophobicContact CG-CB 4.42Å; K512-V563 HydrophobicContact CG-CG1 4.12Å; K512-S565 PolarHBondContact NZ-OG 3.3Å; K512-D566 HydrophobicContact CB-CB 4.39Å; K512-D566 WeakPolarHBondContact CB-OD2 3.26Å; K512-D566 HydrophobicContact CD-CB 3.82Å
513	M	98.1	Very high	98.1	Very high	48 Å²	48	38.5 Å²	38.5	24%	0.236	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-26.3	173.9	-75.6	-56.5	-55.9	0	0	113.9	I516 N517 E569 A570	M513-I516 HydrophobicContact CE-CG2 4.35Å; M513-I516 HydrophobicContact SD-CD1 3.9Å; M513-N517 VanDerWaalsContact O-CB 3.3Å; M513-N517 WeakPolarHBondContact O-CB 3.39Å; M513-N517 VanDerWaalsContact O-CG 3.24Å; M513-N517 PolarHBondContact O-N 3.39Å; M513-N517 PolarHBondContact O-ND2 3.31Å; M513-E569 HydrophobicContact CE-CG 3.66Å; M513-E569 HydrophobicContact SD-CG 4.22Å; M513-A570 HydrophobicContact SD-CB 3.9Å
514	V	98.3	Very high	98.1	Very high	33 Å²	33	35.3 Å²	35.3	20%	0.2	19%	0.186	C	C	.	.	H	α-helix	trans	-71.1	-42.8	174.3	-175.8	0	0	0	0	110.5	K474 I479 L511 K512 N517 H518	K474-V514 HydrophobicContact CG-CG1 4.2Å; I479-V514 HydrophobicContact CD1-CB 4.25Å; I479-V514 HydrophobicContact CD1-CG1 3.82Å; I479-V514 HydrophobicContact CG2-CG1 4.44Å; L511-V514 WeakPolarHBondContact O-CA 3.45Å; L511-V514 WeakPolarHBondContact O-CB 3.48Å; L511-V514 PolarHBondContact O-N 3.02Å; K512-V514 PolarHBondContact O-N 3.41Å; V514-N517 PolarHBondContact O-N 3.14Å; V514-H518 PolarHBondContact O-CD2 3.25Å; V514-H518 VanDerWaalsContact O-CD2 3.23Å; V514-H518 PolarHBondContact O-N 3.45Å
515	I	98.8	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-40.3	174.7	-66.3	168.3	0	0	0	110.7	I479 L505 L511 K512 G519 M523 V563	I479-I515 HydrophobicContact CD1-CG1 3.91Å; I479-I515 HydrophobicContact CG1-CG1 4.35Å; I479-I515 HydrophobicContact CG2-CG1 4.17Å; L505-I515 HydrophobicContact CB-CD1 3.97Å; L511-I515 WeakPolarHBondContact O-CG1 3.49Å; L511-I515 PolarHBondContact O-N 3.12Å; K512-I515 PolarHBondContact O-N 2.85Å; K512-I515 VanDerWaalsContact O-N 3.16Å; I515-G519 VanDerWaalsContact O-CA 3.27Å; I515-G519 WeakPolarHBondContact O-CA 3.47Å; I515-G519 PolarHBondContact O-N 3.34Å; I515-M523 HydrophobicContact CG2-CE 3.75Å; I515-V563 HydrophobicContact CB-CG1 4.19Å; I515-V563 HydrophobicContact CG2-CG1 4.08Å
516	I	98.7	Very high	98	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-55.5	174	-73.2	171.5	0	0	0	110.9	K512 M513 H518 L520 V563 A570 R573 L574	K512-I516 WeakPolarHBondContact O-CG1 3.34Å; K512-I516 PolarHBondContact O-N 2.65Å; M513-I516 HydrophobicContact CE-CG2 4.35Å; M513-I516 HydrophobicContact SD-CD1 3.9Å; I516-H518 VanDerWaalsContact C-N 3.29Å; I516-H518 PolarHBondContact O-N 2.9Å; I516-L520 HydrophobicContact CG2-CB 4.5Å; I516-L520 HydrophobicContact CG2-CD2 4.05Å; I516-L520 VanDerWaalsContact O-CB 3.25Å; I516-L520 WeakPolarHBondContact O-CB 3.37Å; I516-L520 PolarHBondContact O-N 3.32Å; I516-V563 HydrophobicContact CD1-CB 3.88Å; I516-V563 HydrophobicContact CD1-CG2 3.96Å; I516-V563 HydrophobicContact CG1-CB 3.9Å; I516-V563 HydrophobicContact CG1-CG2 3.73Å; I516-A570 HydrophobicContact CD1-CB 3.5Å; I516-R573 HydrophobicContact CG2-CB 3.75Å; I516-R573 HydrophobicContact CG2-CG 4.03Å; I516-L574 HydrophobicContact CD1-CD1 3.65Å; I516-L574 HydrophobicContact CG1-CD1 3.9Å
517	N	98.3	Very high	98	Very high	88 Å²	88	40.5 Å²	40.5	47%	0.471	21%	0.212	S	C	.	.	H	α-helix	trans	-63.2	-29.7	-173.4	-77.8	-36.8	0	0	0	113.9	M513 V514 R573	M513-N517 VanDerWaalsContact O-CB 3.3Å; M513-N517 WeakPolarHBondContact O-CB 3.39Å; M513-N517 VanDerWaalsContact O-CG 3.24Å; M513-N517 PolarHBondContact O-N 3.39Å; M513-N517 PolarHBondContact O-ND2 3.31Å; V514-N517 PolarHBondContact O-N 3.14Å; N517-R573 PolarHBondContact OD1-NH2 2.87Å
518	H	98.3	Very high	98	Very high	98 Å²	98	37 Å²	37	45%	0.454	19%	0.188	S	C	.	.	H	α-helix	trans	-98.1	-36.5	177.8	-66	-59	0	0	0	114	I479 I483 V514 I516	I479-H518 HydrophobicContact CG2-CB 4.3Å; I483-H518 WeakPolarHBondContact CG2-O 3.49Å; V514-H518 PolarHBondContact O-CD2 3.25Å; V514-H518 VanDerWaalsContact O-CD2 3.23Å; V514-H518 PolarHBondContact O-N 3.45Å; I516-H518 VanDerWaalsContact C-N 3.29Å; I516-H518 PolarHBondContact O-N 2.9Å
519	G	97.9	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-114.1	-18.9	-160.9	0	0	0	0	0	116.6	I483 I515 Q521 T522 M523	I483-G519 VanDerWaalsContact CD1-CA 3.5Å; I515-G519 VanDerWaalsContact O-CA 3.27Å; I515-G519 WeakPolarHBondContact O-CA 3.47Å; I515-G519 PolarHBondContact O-N 3.34Å; G519-Q521 PolarHBondContact O-N 3.21Å; G519-T522 WeakPolarHBondContact O-CB 3.49Å; G519-T522 PolarHBondContact O-N 3.23Å; G519-T522 VanDerWaalsContact O-N 3.12Å; G519-M523 WeakPolarHBondContact O-CG 3.14Å; G519-M523 PolarHBondContact O-N 2.91Å
520	L	98.6	Very high	97.9	Very high	14 Å²	14	34.3 Å²	34.3	7%	0.073	18%	0.183	C	C	.	.	H	α-helix	trans	-54.4	-58	-169.7	176.1	56	0	0	0	113.1	I516 T522 M523 T524 L560 R573 L574 C577 L580	I516-L520 HydrophobicContact CG2-CB 4.5Å; I516-L520 HydrophobicContact CG2-CD2 4.05Å; I516-L520 VanDerWaalsContact O-CB 3.25Å; I516-L520 WeakPolarHBondContact O-CB 3.37Å; I516-L520 PolarHBondContact O-N 3.32Å; L520-T522 PolarHBondContact O-N 2.85Å; L520-M523 PolarHBondContact O-N 3.46Å; L520-T524 PolarHBondContact O-N 3.07Å; L520-T524 PolarHBondContact O-OG1 2.9Å; L520-T524 VanDerWaalsContact O-OG1 3.13Å; L520-L560 HydrophobicContact CD1-CD2 3.63Å; L520-R573 HydrophobicContact CD2-CB 4.12Å; L520-R573 WeakPolarHBondContact CD2-O 3.18Å; L520-L574 HydrophobicContact CD1-CD1 4.16Å; L520-L574 HydrophobicContact CD1-CG 3.94Å; L520-L574 HydrophobicContact CD2-CD1 3.91Å; L520-L574 HydrophobicContact CD2-CG 4.19Å; L520-C577 HydrophobicContact CD1-CB 4.43Å; L520-C577 HydrophobicContact CD2-CB 4.07Å; L520-C577 HydrophobicContact CG-CB 4.16Å; L520-L580 HydrophobicContact CD1-CD2 3.91Å
521	Q	98.1	Very high	97.8	Very high	88 Å²	88	31.4 Å²	31.4	41%	0.411	16%	0.162	S	C	.	.	H	α-helix	trans	-62.4	-32.6	-179.6	-164.3	71.1	66.7	0	0	112.5	G519 N525	G519-Q521 PolarHBondContact O-N 3.21Å; Q521-N525 PolarHBondContact NE2-OD1 3.21Å; Q521-N525 WeakPolarHBondContact O-CB 3.37Å; Q521-N525 PolarHBondContact O-N 3.43Å; Q521-N525 PolarHBondContact O-OD1 3.46Å; Q521-N525 VanDerWaalsContact O-OD1 3.12Å
522	T	98.4	Very high	97.6	Very high	16 Å²	16	31.2 Å²	31.2	10%	0.098	16%	0.161	C	C	.	.	H	α-helix	trans	-68.3	-48.9	176.1	-63.3	0	0	0	0	110.9	I483 L486 R487 G519 L520 T524 N525 E526	I483-T522 HydrophobicContact CG2-CG2 4.03Å; L486-T522 HydrophobicContact CB-CG2 4.45Å; L486-T522 HydrophobicContact CD2-CG2 4.02Å; L486-T522 HydrophobicContact CG-CG2 4.24Å; R487-T522 HydrophobicContact CG-CG2 3.42Å; R487-T522 VanDerWaalsContact CG-CG2 3.42Å; G519-T522 WeakPolarHBondContact O-CB 3.49Å; G519-T522 PolarHBondContact O-N 3.23Å; G519-T522 VanDerWaalsContact O-N 3.12Å; L520-T522 PolarHBondContact O-N 2.85Å; T522-T524 VanDerWaalsContact C-N 3.26Å; T522-T524 PolarHBondContact O-N 3.49Å; T522-N525 PolarHBondContact O-N 2.89Å; T522-E526 HydrophobicContact CG2-CG 3.69Å; T522-E526 WeakPolarHBondContact O-CB 3.36Å; T522-E526 VanDerWaalsContact O-CG 3.23Å; T522-E526 WeakPolarHBondContact O-CG 3.34Å; T522-E526 PolarHBondContact O-N 2.93Å
523	M	98.7	Very high	97.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-36.8	177.7	-73.1	-171.8	-63	0	0	111.8	I483 L486 L502 I515 G519 L520 V527 I528 T556 C559 L560	I483-M523 HydrophobicContact CD1-CG 4.33Å; L486-M523 HydrophobicContact CD2-CG 4.35Å; L502-M523 HydrophobicContact CD1-SD 4.14Å; I515-M523 HydrophobicContact CG2-CE 3.75Å; G519-M523 WeakPolarHBondContact O-CG 3.14Å; G519-M523 PolarHBondContact O-N 2.91Å; L520-M523 PolarHBondContact O-N 3.46Å; M523-V527 WeakPolarHBondContact O-CB 3.37Å; M523-V527 PolarHBondContact O-N 3.46Å; M523-I528 PolarHBondContact O-N 2.83Å; M523-I528 VanDerWaalsContact O-N 3.07Å; M523-T556 HydrophobicContact CB-CG2 3.64Å; M523-T556 HydrophobicContact CG-CG2 4Å; M523-T556 HydrophobicContact SD-CG2 4.15Å; M523-C559 HydrophobicContact SD-CB 4.48Å; M523-L560 HydrophobicContact CE-CD2 3.94Å
524	T	98.4	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-64.3	-55.4	173.3	-61	0	0	0	0	111.9	L520 T522 I528 I529 C577 L580	L520-T524 PolarHBondContact O-N 3.07Å; L520-T524 PolarHBondContact O-OG1 2.9Å; L520-T524 VanDerWaalsContact O-OG1 3.13Å; T522-T524 VanDerWaalsContact C-N 3.26Å; T522-T524 PolarHBondContact O-N 3.49Å; T524-I528 PolarHBondContact O-N 3.17Å; T524-I529 HydrophobicContact CG2-CD1 3.77Å; T524-I529 HydrophobicContact CG2-CG1 4.09Å; T524-I529 PolarHBondContact O-N 2.96Å; T524-C577 PolarHBondContact OG1-SG 3.03Å; T524-L580 HydrophobicContact CG2-CB 3.89Å; T524-L580 HydrophobicContact CG2-CD1 4.34Å
525	N	97.1	Very high	96.5	Very high	77 Å²	77	33 Å²	33	41%	0.412	17%	0.167	S	C	.	.	I	π-helix	trans	-74.9	-37.9	-172.1	-66.5	20.3	0	0	0	113.5	Q521 T522 P530	Q521-N525 PolarHBondContact NE2-OD1 3.21Å; Q521-N525 WeakPolarHBondContact O-CB 3.37Å; Q521-N525 PolarHBondContact O-N 3.43Å; Q521-N525 PolarHBondContact O-OD1 3.46Å; Q521-N525 VanDerWaalsContact O-OD1 3.12Å; T522-N525 PolarHBondContact O-N 2.89Å; N525-P530 WeakPolarHBondContact O-CD 3.49Å; N525-P530 VanDerWaalsContact O-CG 3.28Å; N525-P530 WeakPolarHBondContact O-CG 3.35Å
526	E	97.4	Very high	95.4	Very high	63 Å²	63	38.9 Å²	38.9	29%	0.294	19%	0.194	S	C	.	.	I	π-helix	trans	-84.7	-23.2	-175.4	-57.8	-63.5	153.7	0	0	112.9	R487 R495 T522	R487-E526 HydrophobicContact CG-CG 4.07Å; R495-E526 PolarHBondContact NH2-O 3.34Å; T522-E526 HydrophobicContact CG2-CG 3.69Å; T522-E526 WeakPolarHBondContact O-CB 3.36Å; T522-E526 VanDerWaalsContact O-CG 3.23Å; T522-E526 WeakPolarHBondContact O-CG 3.34Å; T522-E526 PolarHBondContact O-N 2.93Å
527	V	97.9	Very high	94.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.	I	π-helix	trans	-131.3	-56.4	-171.6	-172	0	0	0	0	113.4	L486 M523 H531 V552 F553 T556	L486-V527 HydrophobicContact CD1-CG2 4.38Å; M523-V527 WeakPolarHBondContact O-CB 3.37Å; M523-V527 PolarHBondContact O-N 3.46Å; V527-H531 PolarHBondContact O-CD2 2.99Å; V527-H531 PolarHBondContact O-N 3.38Å; V527-V552 HydrophobicContact CG1-CB 4.39Å; V527-V552 HydrophobicContact CG1-CG1 3.79Å; V527-V552 HydrophobicContact CG2-CG1 3.93Å; V527-F553 HydrophobicContact CG1-CB 4.42Å; V527-T556 HydrophobicContact CB-CG2 4.22Å; V527-T556 HydrophobicContact CG1-CG2 4.34Å
528	I	98.1	Very high	92.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-67.4	-49	-171.7	-58.9	-60.7	0	0	0	111.2	M523 T524 S532 F553 T556 L560 L580 A583 L584	M523-I528 PolarHBondContact O-N 2.83Å; M523-I528 VanDerWaalsContact O-N 3.07Å; T524-I528 PolarHBondContact O-N 3.17Å; I528-S532 WeakPolarHBondContact O-CB 3.29Å; I528-S532 PolarHBondContact O-N 2.88Å; I528-S532 VanDerWaalsContact O-N 3.1Å; I528-S532 PolarHBondContact O-OG 3.27Å; I528-F553 HydrophobicContact CB-CE2 4.44Å; I528-F553 HydrophobicContact CD1-CD2 3.94Å; I528-F553 HydrophobicContact CD1-CE2 3.79Å; I528-F553 HydrophobicContact CD1-CZ 4.32Å; I528-F553 HydrophobicContact CG2-CE2 4.1Å; I528-T556 HydrophobicContact CD1-CG2 3.84Å; I528-T556 HydrophobicContact CG1-CG2 4.05Å; I528-L560 HydrophobicContact CD1-CD1 4.01Å; I528-L560 HydrophobicContact CG1-CD1 3.67Å; I528-L580 HydrophobicContact CB-CD1 4.42Å; I528-L580 HydrophobicContact CG1-CD1 4.37Å; I528-L580 HydrophobicContact CG2-CD1 3.99Å; I528-A583 HydrophobicContact CG2-CB 4.05Å; I528-L584 HydrophobicContact CG2-CD2 4.15Å; I528-L584 HydrophobicContact CG2-CG 4.3Å
529	I	96.4	Very high	91	Very high	37 Å²	37	45.4 Å²	45.4	19%	0.19	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-58.1	178.5	-70	168.1	0	0	0	110.6	T524 H531 S532 W534 A583	T524-I529 HydrophobicContact CG2-CD1 3.77Å; T524-I529 HydrophobicContact CG2-CG1 4.09Å; T524-I529 PolarHBondContact O-N 2.96Å; I529-H531 VanDerWaalsContact C-N 3.33Å; I529-H531 PolarHBondContact O-N 3.29Å; I529-S532 PolarHBondContact O-N 3.32Å; I529-S532 VanDerWaalsContact O-N 3.1Å; I529-S532 PolarHBondContact O-OG 2.94Å; I529-W534 HydrophobicContact CD1-CE3 4.41Å; I529-W534 HydrophobicContact CD1-CZ3 3.99Å; I529-W534 HydrophobicContact CG1-CE3 4Å; I529-W534 HydrophobicContact CG1-CZ3 4.08Å; I529-W534 HydrophobicContact CG2-CE3 4.04Å; I529-W534 HydrophobicContact CG2-CZ3 4.38Å; I529-A583 HydrophobicContact CG1-CB 4.02Å
530	P	94.5	Very high	89.1	Confident	58 Å²	58	54.9 Å²	54.9	38%	0.377	28%	0.277	S	S	.	.	H	α-helix	trans	-58.8	-35.8	-173.7	-27.3	36.7	0	0	0	115.4	N525	N525-P530 WeakPolarHBondContact O-CD 3.49Å; N525-P530 VanDerWaalsContact O-CG 3.28Å; N525-P530 WeakPolarHBondContact O-CG 3.35Å
531	H	95.1	Very high	87.2	Confident	21 Å²	21	62.2 Å²	62.2	10%	0.097	32%	0.316	C	S	.	.	H	α-helix	trans	-95.2	-0.7	-179.3	-61.6	-62.5	0	0	0	113.9	V527 I529 A547 E548 F553	V527-H531 PolarHBondContact O-CD2 2.99Å; V527-H531 PolarHBondContact O-N 3.38Å; I529-H531 VanDerWaalsContact C-N 3.33Å; I529-H531 PolarHBondContact O-N 3.29Å; H531-A547 CarbonylContact O-C 3.59Å; H531-A547 WeakPolarHBondContact O-CA 3.24Å; H531-E548 HydrophobicContact CB-CB 4.14Å; H531-E548 IonicContact CE1-OE2 3.91Å; H531-E548 IonicContact CG-OE2 3.34Å; H531-E548 IonicContact ND1-OE2 3.06Å; H531-E548 PolarHBondContact ND1-OE2 2.87Å; H531-E548 PolarHBondContact O-N 2.93Å; H531-F553 HydrophobicContact CB-CB 4.31Å; H531-F553 HydrophobicContact CB-CD2 3.87Å; H531-F553 HydrophobicContact CB-CG 4.43Å
532	S	95.2	Very high	85.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-10.2	174.8	64.3	0	0	0	0	114.4	I528 I529 W534 A583 H586	I528-S532 WeakPolarHBondContact O-CB 3.29Å; I528-S532 PolarHBondContact O-N 2.88Å; I528-S532 VanDerWaalsContact O-N 3.1Å; I528-S532 PolarHBondContact O-OG 3.27Å; I529-S532 PolarHBondContact O-N 3.32Å; I529-S532 VanDerWaalsContact O-N 3.1Å; I529-S532 PolarHBondContact O-OG 2.94Å; S532-W534 PolarHBondContact O-N 3.27Å; S532-W534 VanDerWaalsContact OG-CB 3.26Å; S532-W534 WeakPolarHBondContact OG-CB 3.38Å; S532-W534 PolarHBondContact OG-N 3.37Å; S532-W534 VanDerWaalsContact OG-N 3.13Å; S532-A583 WeakPolarHBondContact CB-O 3.25Å; S532-A583 WeakPolarHBondContact OG-CB 3.41Å; S532-H586 PolarHBondContact O-ND1 2.96Å
533	G	91	Very high	84.1	Confident	6 Å²	6	69.1 Å²	69.1	6%	0.062	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	0.2	-167.4	0	0	0	0	0	114.6	H586	G533-H586 VanDerWaalsContact C-CE1 3.4Å; G533-H586 PolarHBondContact O-CE1 3.04Å
534	W	93.3	Very high	82.8	Confident	46 Å²	46	74.1 Å²	74.1	17%	0.174	38%	0.384	C	S	.	.			trans	-81.8	135.6	-179.7	-178.3	75.4	0	0	0	112.1	I529 S532 H536 D582 A583 H586	I529-W534 HydrophobicContact CD1-CE3 4.41Å; I529-W534 HydrophobicContact CD1-CZ3 3.99Å; I529-W534 HydrophobicContact CG1-CE3 4Å; I529-W534 HydrophobicContact CG1-CZ3 4.08Å; I529-W534 HydrophobicContact CG2-CE3 4.04Å; I529-W534 HydrophobicContact CG2-CZ3 4.38Å; S532-W534 PolarHBondContact O-N 3.27Å; S532-W534 VanDerWaalsContact OG-CB 3.26Å; S532-W534 WeakPolarHBondContact OG-CB 3.38Å; S532-W534 PolarHBondContact OG-N 3.37Å; S532-W534 VanDerWaalsContact OG-N 3.13Å; W534-H536 HydrophobicContact CH2-CB 3.96Å; W534-H536 HydrophobicContact CZ2-CB 4.41Å; W534-H536 HydrophobicContact CZ3-CB 4.4Å; W534-D582 HydrophobicContact CD2-CB 4.11Å; W534-D582 VanDerWaalsContact CE2-CB 3.48Å; W534-D582 HydrophobicContact CH2-CB 4.13Å; W534-D582 HydrophobicContact CZ2-CB 3.49Å; W534-D582 VanDerWaalsContact CZ2-CB 3.49Å; W534-A583 HydrophobicContact CB-CB 4.11Å; W534-A583 HydrophobicContact CD2-CB 4.38Å; W534-A583 HydrophobicContact CE3-CB 4.15Å; W534-A583 HydrophobicContact CG-CB 4.39Å; W534-H586 HydrophobicContact CB-CB 3.85Å; W534-H586 HydrophobicContact CG-CB 4.22Å; W534-H586 PolarHBondContact N-ND1 3.49Å
535	E	85.5	Confident	82.1	Confident	74 Å²	74	79.8 Å²	79.8	35%	0.346	41%	0.405	S	S	.	.			trans	-127.2	136.7	177.9	-63.1	-179.9	171	0	0	108.4	E537 R545	E535-E537 PolarHBondContact O-N 3.49Å; E535-R545 WeakPolarHBondContact OE1-CD 3.49Å; E535-R545 IonicContact OE1-CZ 2.93Å; E535-R545 IonicContact OE1-NE 3.73Å; E535-R545 IonicContact OE1-NH1 3.66Å; E535-R545 PolarHBondContact OE1-NH1 3.06Å
536	H	76.6	Confident	81.7	Confident	122 Å²	122	79.7 Å²	79.7	57%	0.565	41%	0.405	S	S	*	.	S	Bend	trans	-65	-39.9	-170.1	-178.6	-67.8	0	0	0	112.9	W534	W534-H536 HydrophobicContact CH2-CB 3.96Å; W534-H536 HydrophobicContact CZ2-CB 4.41Å; W534-H536 HydrophobicContact CZ3-CB 4.4Å
537	E	72.9	Confident	81.4	Confident	127 Å²	127	77.2 Å²	77.2	59%	0.593	40%	0.395	S	S	*	.	S	Bend	trans	-119.5	99.9	169.3	-58.6	-56.3	135.4	0	0	106.3	E535 N539 K687	E535-E537 PolarHBondContact O-N 3.49Å; E537-N539 PolarHBondContact O-N 2.93Å; E537-K687 IonicContact OE1-NZ 2.81Å
538	P	65.2	Low	81.2	Confident	93 Å²	93	81.3 Å²	81.3	60%	0.604	42%	0.415	S	S	*	.			trans	-70.4	126.9	176	28.3	-32.8	0	0	0	109.3	E540	P538-E540 PolarHBondContact O-N 3.12Å
539	N	64.1	Low	81	Confident	110 Å²	110	84 Å²	84	59%	0.588	43%	0.425	S	S	*	.			trans	-59.4	123.9	166.1	-71.5	-16.8	0	0	0	108.3	E537 D541 S542	E537-N539 PolarHBondContact O-N 2.93Å; N539-D541 PolarHBondContact O-N 2.76Å; N539-D541 VanDerWaalsContact O-N 3.14Å; N539-S542 WeakPolarHBondContact O-CB 3.44Å; N539-S542 PolarHBondContact O-N 3.47Å
540	E	59.3	Low	80.9	Confident	199 Å²	199	83.8 Å²	83.8	93%	0.93	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.1	-175.2	-62.9	-163.1	143.8	0	0	113.3	P538	P538-E540 PolarHBondContact O-N 3.12Å
541	D	59.1	Low	81.1	Confident	168 Å²	168	83.3 Å²	83.3	90%	0.898	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-14	174.1	-59.2	-59.9	0	0	0	114	N539	N539-D541 PolarHBondContact O-N 2.76Å; N539-D541 VanDerWaalsContact O-N 3.14Å
542	S	64.5	Low	81.2	Confident	61 Å²	61	82.5 Å²	82.5	43%	0.427	42%	0.418	S	S	.	.	S	Bend	trans	-82.6	131.5	178.7	-78.3	0	0	0	0	111.3	N539	N539-S542 WeakPolarHBondContact O-CB 3.44Å; N539-S542 PolarHBondContact O-N 3.47Å
543	K	66.6	Low	81.4	Confident	188 Å²	188	82.5 Å²	82.5	82%	0.817	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-62.1	136.4	164.4	-68.9	177.3	-178.8	171.7	0	109.3	R545	K543-R545 PolarHBondContact O-N 3.44Å
544	P	71.5	Confident	81.7	Confident	106 Å²	106	85.4 Å²	85.4	69%	0.688	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-51.5	130.3	172.5	-27.1	34.8	0	0	0	110.6
545	R	83.8	Confident	82	Confident	119 Å²	119	83.4 Å²	83.4	45%	0.449	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-78	145.9	179.4	-68.6	175.4	62.9	-160.5	-5.9	109.8	E535 K543 H586	E535-R545 WeakPolarHBondContact OE1-CD 3.49Å; E535-R545 IonicContact OE1-CZ 2.93Å; E535-R545 IonicContact OE1-NE 3.73Å; E535-R545 IonicContact OE1-NH1 3.66Å; E535-R545 PolarHBondContact OE1-NH1 3.06Å; K543-R545 PolarHBondContact O-N 3.44Å; R545-H586 PolarHBondContact O-CE1 3.46Å; R545-H586 VanDerWaalsContact O-CE1 3.22Å
546	D	88.3	Confident	82.6	Confident	76 Å²	76	79.9 Å²	79.9	41%	0.406	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-80.1	159.8	178.4	-70.2	-61.5	0	0	0	112.9	S590 K594	D546-S590 WeakPolarHBondContact CA-OG 3.47Å; D546-S590 PolarHBondContact OD1-OG 3.48Å; D546-K594 WeakPolarHBondContact OD1-CE 3.49Å; D546-K594 IonicContact OD1-NZ 2.94Å; D546-K594 WeakPolarHBondContact OD2-CE 3.48Å; D546-K594 IonicContact OD2-NZ 2.66Å; D546-K594 PolarHBondContact OD2-NZ 2.76Å
547	A	91.1	Very high	83.7	Confident	11 Å²	11	74.1 Å²	74.1	9%	0.091	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-70.8	141.3	170.2	0	0	0	0	0	112.1	H531 W549 A587 S590	H531-A547 CarbonylContact O-C 3.59Å; H531-A547 WeakPolarHBondContact O-CA 3.24Å; A547-W549 HydrophobicContact CB-CD2 4.36Å; A547-W549 HydrophobicContact CB-CE3 4.22Å; A547-W549 HydrophobicContact CB-CH2 3.59Å; A547-W549 HydrophobicContact CB-CZ2 3.72Å; A547-W549 HydrophobicContact CB-CZ3 3.85Å; A547-A587 HydrophobicContact CB-CB 4.07Å; A547-S590 PolarHBondContact N-OG 3.17Å
548	E	92.9	Very high	84.9	Confident	86 Å²	86	68 Å²	68	40%	0.402	35%	0.35	S	S	.	.			trans	-108.4	103.9	177.8	-66.7	174.4	-175.2	0	0	109.6	H531 T550	H531-E548 HydrophobicContact CB-CB 4.14Å; H531-E548 IonicContact CE1-OE2 3.91Å; H531-E548 IonicContact CG-OE2 3.34Å; H531-E548 IonicContact ND1-OE2 3.06Å; H531-E548 PolarHBondContact ND1-OE2 2.87Å; H531-E548 PolarHBondContact O-N 2.93Å; E548-T550 HydrophobicContact CB-CG2 4.28Å; E548-T550 PolarHBondContact O-N 3.1Å
549	W	93.4	Very high	86.5	Confident	56 Å²	56	63.6 Å²	63.6	21%	0.212	32%	0.321	C	S	.	.			trans	-77.8	50	-174.8	-50.1	126.3	0	0	0	114.6	A547 F553 A587 A591 D596 N599 S601 V602	A547-W549 HydrophobicContact CB-CD2 4.36Å; A547-W549 HydrophobicContact CB-CE3 4.22Å; A547-W549 HydrophobicContact CB-CH2 3.59Å; A547-W549 HydrophobicContact CB-CZ2 3.72Å; A547-W549 HydrophobicContact CB-CZ3 3.85Å; W549-F553 HydrophobicContact CE3-CD1 4.03Å; W549-F553 AromaticContact CE3-CE1 3.89Å; W549-F553 HydrophobicContact CE3-CE1 3.89Å; W549-F553 HydrophobicContact CZ3-CD1 4.31Å; W549-F553 AromaticContact CZ3-CE1 3.69Å; W549-F553 HydrophobicContact CZ3-CE1 3.69Å; W549-F553 HydrophobicContact CZ3-CZ 4.23Å; W549-A587 HydrophobicContact CH2-CB 4.07Å; W549-A587 WeakPolarHBondContact CH2-O 3.29Å; W549-A587 HydrophobicContact CZ3-CB 4.18Å; W549-A591 HydrophobicContact CH2-CB 4.11Å; W549-A591 HydrophobicContact CZ2-CB 3.71Å; W549-D596 PolarHBondContact NE1-OD2 3.19Å; W549-N599 WeakPolarHBondContact CB-ND2 3.45Å; W549-S601 VanDerWaalsContact CE3-CB 3.43Å; W549-V602 HydrophobicContact CH2-CG2 3.68Å; W549-V602 HydrophobicContact CZ2-CG2 3.74Å; W549-V602 HydrophobicContact CZ3-CG2 4.32Å
550	T	95.8	Very high	88.2	Confident	33 Å²	33	58.4 Å²	58.4	20%	0.202	29%	0.293	C	S	.	.			trans	-60.8	153.1	178.7	69.3	0	0	0	0	111.7	M492 E548 V552 F553 K554	M492-T550 HydrophobicContact CE-CG2 4.32Å; E548-T550 HydrophobicContact CB-CG2 4.28Å; E548-T550 PolarHBondContact O-N 3.1Å; T550-V552 PolarHBondContact O-N 3.5Å; T550-F553 PolarHBondContact O-N 2.83Å; T550-F553 PolarHBondContact OG1-N 3.37Å; T550-K554 PolarHBondContact O-N 3.2Å
551	T	97.4	Very high	90	Very high	47 Å²	47	51.4 Å²	51.4	29%	0.288	26%	0.258	S	S	.	.	H	α-helix	trans	-59.1	-30.2	173.6	-52.8	0	0	0	0	112	E496 K554 N555	E496-T551 HydrophobicContact CG-CG2 3.55Å; E496-T551 WeakPolarHBondContact OE2-CB 3.26Å; E496-T551 WeakPolarHBondContact OE2-CG2 3.39Å; T551-K554 PolarHBondContact O-N 3.22Å; T551-N555 VanDerWaalsContact O-CB 3.29Å; T551-N555 WeakPolarHBondContact O-CB 3.43Å; T551-N555 PolarHBondContact O-N 3.13Å; T551-N555 PolarHBondContact O-ND2 2.94Å; T551-N555 PolarHBondContact O-OD1 3.44Å
552	V	98.3	Very high	91.9	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.024	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-44.4	173.8	-168	0	0	0	0	111.1	M492 R495 E496 T499 V527 T550 T556	M492-V552 HydrophobicContact CE-CB 4.38Å; M492-V552 HydrophobicContact CE-CG2 3.62Å; M492-V552 HydrophobicContact SD-CG2 4.34Å; R495-V552 HydrophobicContact CB-CG1 3.99Å; R495-V552 HydrophobicContact CB-CG2 4.03Å; E496-V552 HydrophobicContact CB-CG2 4.32Å; T499-V552 HydrophobicContact CG2-CG1 3.83Å; V527-V552 HydrophobicContact CG1-CB 4.39Å; V527-V552 HydrophobicContact CG1-CG1 3.79Å; V527-V552 HydrophobicContact CG2-CG1 3.93Å; T550-V552 PolarHBondContact O-N 3.5Å; V552-T556 VanDerWaalsContact O-CB 3.28Å; V552-T556 WeakPolarHBondContact O-CB 3.43Å; V552-T556 PolarHBondContact O-N 3.36Å; V552-T556 PolarHBondContact O-OG1 3.28Å
553	F	98.4	Very high	93.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.9	-43.3	173.9	-174.1	-84.7	0	0	0	112.1	V527 I528 H531 W549 T550 N555 T556 S557 A587	V527-F553 HydrophobicContact CG1-CB 4.42Å; I528-F553 HydrophobicContact CB-CE2 4.44Å; I528-F553 HydrophobicContact CD1-CD2 3.94Å; I528-F553 HydrophobicContact CD1-CE2 3.79Å; I528-F553 HydrophobicContact CD1-CZ 4.32Å; I528-F553 HydrophobicContact CG2-CE2 4.1Å; H531-F553 HydrophobicContact CB-CB 4.31Å; H531-F553 HydrophobicContact CB-CD2 3.87Å; H531-F553 HydrophobicContact CB-CG 4.43Å; W549-F553 HydrophobicContact CE3-CD1 4.03Å; W549-F553 AromaticContact CE3-CE1 3.89Å; W549-F553 HydrophobicContact CE3-CE1 3.89Å; W549-F553 HydrophobicContact CZ3-CD1 4.31Å; W549-F553 AromaticContact CZ3-CE1 3.69Å; W549-F553 HydrophobicContact CZ3-CE1 3.69Å; W549-F553 HydrophobicContact CZ3-CZ 4.23Å; T550-F553 PolarHBondContact O-N 2.83Å; T550-F553 PolarHBondContact OG1-N 3.37Å; F553-N555 PolarHBondContact O-N 3.13Å; F553-T556 PolarHBondContact O-N 2.95Å; F553-S557 WeakPolarHBondContact O-CB 3.27Å; F553-S557 PolarHBondContact O-N 2.9Å; F553-S557 PolarHBondContact O-OG 3.29Å; F553-A587 HydrophobicContact CZ-CB 4.34Å
554	K	98.5	Very high	95	Very high	67 Å²	67	33.5 Å²	33.5	29%	0.291	17%	0.167	S	C	.	.	H	α-helix	trans	-56.2	-47.3	174.8	-176.2	-176.6	73.9	-159.4	0	111.9	T550 T551 S557 G558 K600 N604	T550-K554 PolarHBondContact O-N 3.2Å; T551-K554 PolarHBondContact O-N 3.22Å; K554-S557 PolarHBondContact O-OG 3.36Å; K554-G558 PolarHBondContact O-N 3.48Å; K554-K600 HydrophobicContact CD-CB 4.4Å; K554-K600 HydrophobicContact CG-CB 4.48Å; K554-N604 PolarHBondContact O-ND2 2.97Å; K554-N604 VanDerWaalsContact O-ND2 3.1Å
555	N	98.7	Very high	96.2	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-69.8	-40.1	179.8	-67.6	-6.9	0	0	0	111.7	E496 T499 G500 W503 T551 F553 G558 C559	E496-N555 WeakPolarHBondContact CG-ND2 3.37Å; E496-N555 PolarHBondContact O-ND2 2.9Å; T499-N555 WeakPolarHBondContact OG1-CB 3.13Å; G500-N555 PolarHBondContact N-ND2 3.39Å; W503-N555 HydrophobicContact CE3-CB 4.12Å; W503-N555 WeakPolarHBondContact CZ3-OD1 3.36Å; T551-N555 VanDerWaalsContact O-CB 3.29Å; T551-N555 WeakPolarHBondContact O-CB 3.43Å; T551-N555 PolarHBondContact O-N 3.13Å; T551-N555 PolarHBondContact O-ND2 2.94Å; T551-N555 PolarHBondContact O-OD1 3.44Å; F553-N555 PolarHBondContact O-N 3.13Å; N555-G558 PolarHBondContact O-N 3.09Å; N555-C559 WeakPolarHBondContact O-CB 3.23Å; N555-C559 PolarHBondContact O-N 3.24Å
556	T	98.9	Very high	96.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-70.4	-44.2	-179.6	-55.5	0	0	0	0	111.9	T499 M523 V527 I528 V552 F553 G558 C559 L560	T499-T556 WeakPolarHBondContact CG2-OG1 3.38Å; M523-T556 HydrophobicContact CB-CG2 3.64Å; M523-T556 HydrophobicContact CG-CG2 4Å; M523-T556 HydrophobicContact SD-CG2 4.15Å; V527-T556 HydrophobicContact CB-CG2 4.22Å; V527-T556 HydrophobicContact CG1-CG2 4.34Å; I528-T556 HydrophobicContact CD1-CG2 3.84Å; I528-T556 HydrophobicContact CG1-CG2 4.05Å; V552-T556 VanDerWaalsContact O-CB 3.28Å; V552-T556 WeakPolarHBondContact O-CB 3.43Å; V552-T556 PolarHBondContact O-N 3.36Å; V552-T556 PolarHBondContact O-OG1 3.28Å; F553-T556 PolarHBondContact O-N 2.95Å; T556-G558 VanDerWaalsContact C-N 3.28Å; T556-G558 PolarHBondContact O-N 2.68Å; T556-C559 WeakPolarHBondContact O-CB 3.36Å; T556-C559 PolarHBondContact O-N 3.39Å; T556-L560 HydrophobicContact CG2-CD1 4.31Å; T556-L560 WeakPolarHBondContact O-CB 3.34Å; T556-L560 WeakPolarHBondContact O-CG 3.43Å; T556-L560 PolarHBondContact O-N 3.12Å
557	S	98.8	Very high	96.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.5	-35	171.6	59.2	0	0	0	0	111.7	F553 K554 L560 R561 N604	F553-S557 WeakPolarHBondContact O-CB 3.27Å; F553-S557 PolarHBondContact O-N 2.9Å; F553-S557 PolarHBondContact O-OG 3.29Å; K554-S557 PolarHBondContact O-OG 3.36Å; S557-L560 PolarHBondContact O-N 3.1Å; S557-R561 VanDerWaalsContact O-CB 3.27Å; S557-R561 WeakPolarHBondContact O-CB 3.4Å; S557-R561 PolarHBondContact O-N 3.48Å; S557-N604 WeakPolarHBondContact OG-CB 3.25Å; S557-N604 PolarHBondContact OG-ND2 3.28Å
558	G	98.8	Very high	97	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.2	-41.7	171.8	0	0	0	0	0	113.5	W503 K554 N555 T556 N562 N604	W503-G558 VanDerWaalsContact NE1-C 3.27Å; W503-G558 PolarHBondContact NE1-O 3.06Å; K554-G558 PolarHBondContact O-N 3.48Å; N555-G558 PolarHBondContact O-N 3.09Å; T556-G558 VanDerWaalsContact C-N 3.28Å; T556-G558 PolarHBondContact O-N 2.68Å; G558-N562 PolarHBondContact O-N 2.9Å; G558-N604 WeakPolarHBondContact CA-ND2 3.34Å; G558-N604 PolarHBondContact N-ND2 2.95Å
559	C	98.8	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.7	-47.3	173.3	-172.4	0	0	0	0	111.5	L502 W503 M523 N555 T556 R561 N562 V563	L502-C559 VanDerWaalsContact C-SG 3.6Å; L502-C559 PolarHBondContact O-SG 3.02Å; L502-C559 VanDerWaalsContact O-SG 3.34Å; W503-C559 HydrophobicContact CB-CB 4.3Å; M523-C559 HydrophobicContact SD-CB 4.48Å; N555-C559 WeakPolarHBondContact O-CB 3.23Å; N555-C559 PolarHBondContact O-N 3.24Å; T556-C559 WeakPolarHBondContact O-CB 3.36Å; T556-C559 PolarHBondContact O-N 3.39Å; C559-R561 PolarHBondContact O-N 3.15Å; C559-N562 PolarHBondContact O-N 3.36Å; C559-V563 PolarHBondContact O-N 3.44Å
560	L	98.8	Very high	97.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64	-39	178.6	-70.7	176.5	0	0	0	112.4	L520 M523 I528 T556 S557 N562 V563 S564 L580 I608	L520-L560 HydrophobicContact CD1-CD2 3.63Å; M523-L560 HydrophobicContact CE-CD2 3.94Å; I528-L560 HydrophobicContact CD1-CD1 4.01Å; I528-L560 HydrophobicContact CG1-CD1 3.67Å; T556-L560 HydrophobicContact CG2-CD1 4.31Å; T556-L560 WeakPolarHBondContact O-CB 3.34Å; T556-L560 WeakPolarHBondContact O-CG 3.43Å; T556-L560 PolarHBondContact O-N 3.12Å; S557-L560 PolarHBondContact O-N 3.1Å; L560-N562 PolarHBondContact O-N 3.33Å; L560-V563 HydrophobicContact CD2-CG2 4.37Å; L560-V563 PolarHBondContact O-N 2.81Å; L560-S564 WeakPolarHBondContact O-CB 3.38Å; L560-S564 PolarHBondContact O-N 3.12Å; L560-S564 PolarHBondContact O-OG 3.32Å; L560-L580 HydrophobicContact CD1-CD1 3.96Å; L560-I608 HydrophobicContact CB-CD1 3.7Å; L560-I608 HydrophobicContact CB-CG1 4.33Å
561	R	98.7	Very high	97.4	Very high	53 Å²	53	23.9 Å²	23.9	20%	0.2	14%	0.138	C	C	.	.	H	α-helix	trans	-54.9	-51.2	170.8	175.8	-174.6	-174.5	169.3	2.8	111.3	S557 C559 S564 S565 E603 N604 C607 I608	S557-R561 VanDerWaalsContact O-CB 3.27Å; S557-R561 WeakPolarHBondContact O-CB 3.4Å; S557-R561 PolarHBondContact O-N 3.48Å; C559-R561 PolarHBondContact O-N 3.15Å; R561-S564 PolarHBondContact O-N 2.97Å; R561-S564 PolarHBondContact O-OG 3.13Å; R561-S565 PolarHBondContact O-N 3.08Å; R561-E603 IonicContact CZ-OE1 3.31Å; R561-E603 IonicContact NH1-OE1 2.71Å; R561-E603 PolarHBondContact NH1-OE1 2.87Å; R561-E603 IonicContact NH2-OE1 3.27Å; R561-E603 PolarHBondContact NH2-OE1 3.18Å; R561-N604 WeakPolarHBondContact CD-OD1 3.27Å; R561-N604 PolarHBondContact NH1-OD1 3.45Å; R561-C607 HydrophobicContact CG-CB 3.78Å; R561-C607 VanDerWaalsContact CZ-SG 3.51Å; R561-C607 PolarHBondContact NH2-SG 3.36Å; R561-I608 HydrophobicContact CB-CG1 4.04Å
562	N	98.5	Very high	97.4	Very high	39 Å²	39	26.1 Å²	26.1	21%	0.209	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-45.4	-179.2	-73.8	-6.1	0	0	0	112.5	S506 K512 G558 C559 L560 S564 S565	S506-N562 VanDerWaalsContact OG-CB 3.3Å; S506-N562 WeakPolarHBondContact OG-CB 3.49Å; S506-N562 PolarHBondContact OG-ND2 3.29Å; K512-N562 WeakPolarHBondContact CD-O 3.25Å; K512-N562 WeakPolarHBondContact CE-O 3.42Å; K512-N562 PolarHBondContact NZ-O 3.36Å; G558-N562 PolarHBondContact O-N 2.9Å; C559-N562 PolarHBondContact O-N 3.36Å; L560-N562 PolarHBondContact O-N 3.33Å; N562-S564 VanDerWaalsContact C-N 3.35Å; N562-S565 PolarHBondContact O-N 2.96Å; N562-S565 PolarHBondContact O-OG 3.08Å
563	V	98.5	Very high	97.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-72.6	-27.1	179.3	-51	0	0	0	0	112.9	K512 I515 I516 C559 L560 S565 D566 A570 L574	K512-V563 HydrophobicContact CB-CB 4.1Å; K512-V563 HydrophobicContact CB-CG1 3.99Å; K512-V563 HydrophobicContact CG-CB 4.42Å; K512-V563 HydrophobicContact CG-CG1 4.12Å; I515-V563 HydrophobicContact CB-CG1 4.19Å; I515-V563 HydrophobicContact CG2-CG1 4.08Å; I516-V563 HydrophobicContact CD1-CB 3.88Å; I516-V563 HydrophobicContact CD1-CG2 3.96Å; I516-V563 HydrophobicContact CG1-CB 3.9Å; I516-V563 HydrophobicContact CG1-CG2 3.73Å; C559-V563 PolarHBondContact O-N 3.44Å; L560-V563 HydrophobicContact CD2-CG2 4.37Å; L560-V563 PolarHBondContact O-N 2.81Å; V563-S565 PolarHBondContact O-N 3.48Å; V563-D566 WeakPolarHBondContact O-CB 3.39Å; V563-D566 PolarHBondContact O-N 3.43Å; V563-A570 WeakPolarHBondContact O-CB 3.49Å; V563-L574 HydrophobicContact CG2-CD1 4.16Å; V563-L574 HydrophobicContact CG2-CD2 4.4Å
564	S	97.8	Very high	97.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-67.3	-17.4	175.2	73.4	0	0	0	0	114.3	L560 R561 N562 D566 N611	L560-S564 WeakPolarHBondContact O-CB 3.38Å; L560-S564 PolarHBondContact O-N 3.12Å; L560-S564 PolarHBondContact O-OG 3.32Å; R561-S564 PolarHBondContact O-N 2.97Å; R561-S564 PolarHBondContact O-OG 3.13Å; N562-S564 VanDerWaalsContact C-N 3.35Å; S564-D566 VanDerWaalsContact C-N 3.34Å; S564-N611 WeakPolarHBondContact OG-CB 3.42Å; S564-N611 PolarHBondContact OG-ND2 2.89Å
565	S	95.6	Very high	97.3	Very high	66 Å²	66	27.6 Å²	27.6	46%	0.462	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	2.1	-178.3	96.2	0	0	0	0	114.2	K512 R561 N562 V563	K512-S565 PolarHBondContact NZ-OG 3.3Å; R561-S565 PolarHBondContact O-N 3.08Å; N562-S565 PolarHBondContact O-N 2.96Å; N562-S565 PolarHBondContact O-OG 3.08Å; V563-S565 PolarHBondContact O-N 3.48Å
566	D	91.3	Very high	97.2	Very high	38 Å²	38	31.9 Å²	31.9	20%	0.203	16%	0.164	C	C	.	.	S	Bend	trans	-78	-171.6	174.3	-166.2	-13.4	0	0	0	109.7	K512 V563 S564 A570 R571	K512-D566 HydrophobicContact CB-CB 4.39Å; K512-D566 WeakPolarHBondContact CB-OD2 3.26Å; K512-D566 HydrophobicContact CD-CB 3.82Å; V563-D566 WeakPolarHBondContact O-CB 3.39Å; V563-D566 PolarHBondContact O-N 3.43Å; S564-D566 VanDerWaalsContact C-N 3.34Å; D566-A570 HydrophobicContact CB-CB 3.68Å; D566-R571 PolarHBondContact O-NH1 3.39Å
567	G	92.8	Very high	97.1	Very high	35 Å²	35	32.1 Å²	32.1	36%	0.361	17%	0.166	S	C	.	.			trans	-63.7	-179.3	-177	0	0	0	0	0	115.9	E569 A570 R571	G567-E569 PolarHBondContact O-N 3.11Å; G567-E569 VanDerWaalsContact O-N 3.12Å; G567-A570 PolarHBondContact O-N 3.31Å; G567-R571 PolarHBondContact O-N 2.89Å
568	A	95.4	Very high	97	Very high	42 Å²	42	35.4 Å²	35.4	35%	0.347	19%	0.193	S	C	.	.	H	α-helix	trans	-56	-32.3	-174.5	0	0	0	0	0	114.2	R572 E619	A568-R572 VanDerWaalsContact O-CB 3.29Å; A568-R572 WeakPolarHBondContact O-CB 3.29Å; A568-R572 PolarHBondContact O-N 2.96Å; A568-E619 HydrophobicContact CB-CG 4.37Å; A568-E619 WeakPolarHBondContact CB-OE1 3.4Å
569	E	96.1	Very high	96.8	Very high	77 Å²	77	35.8 Å²	35.8	36%	0.36	20%	0.197	S	C	.	.	H	α-helix	trans	-65.8	-41.6	175.9	174.7	61.8	-174.4	0	0	112.2	M513 G567 R572 R573	M513-E569 HydrophobicContact CE-CG 3.66Å; M513-E569 HydrophobicContact SD-CG 4.22Å; G567-E569 PolarHBondContact O-N 3.11Å; G567-E569 VanDerWaalsContact O-N 3.12Å; E569-R572 WeakPolarHBondContact O-CB 3.42Å; E569-R572 PolarHBondContact O-N 3Å; E569-R572 WeakPolarHBondContact OE2-CD 3.12Å; E569-R572 IonicContact OE2-NE 2.7Å; E569-R573 WeakPolarHBondContact O-CG 3.48Å; E569-R573 PolarHBondContact O-N 2.89Å; E569-R573 IonicContact OE1-CZ 3.09Å; E569-R573 IonicContact OE1-NE 2.67Å; E569-R573 PolarHBondContact OE1-NE 3.41Å; E569-R573 IonicContact OE1-NH2 2.78Å; E569-R573 PolarHBondContact OE1-NH2 3.4Å; E569-R573 VanDerWaalsContact OE1-NH2 3.11Å
570	A	97.4	Very high	96.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-46.2	176	0	0	0	0	0	111.5	M513 I516 V563 D566 G567 R572 R573 L574	M513-A570 HydrophobicContact SD-CB 3.9Å; I516-A570 HydrophobicContact CD1-CB 3.5Å; V563-A570 WeakPolarHBondContact O-CB 3.49Å; D566-A570 HydrophobicContact CB-CB 3.68Å; G567-A570 PolarHBondContact O-N 3.31Å; A570-R572 VanDerWaalsContact C-N 3.31Å; A570-R572 PolarHBondContact O-N 3.5Å; A570-R573 PolarHBondContact O-N 3.42Å; A570-L574 VanDerWaalsContact O-CD1 3.24Å; A570-L574 WeakPolarHBondContact O-CD1 3.38Å; A570-L574 PolarHBondContact O-N 3.28Å
571	R	97.9	Very high	96.7	Very high	26 Å²	26	35.8 Å²	35.8	10%	0.098	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-38	174.3	-66.7	-173.2	-66.9	-89.3	12.6	112.3	D566 G567 R575 N611 L612 E619	D566-R571 PolarHBondContact O-NH1 3.39Å; G567-R571 PolarHBondContact O-N 2.89Å; R571-R575 WeakPolarHBondContact O-CB 3.24Å; R571-R575 WeakPolarHBondContact O-CG 3.33Å; R571-R575 PolarHBondContact O-N 3.43Å; R571-R575 VanDerWaalsContact O-N 3.09Å; R571-R575 PolarHBondContact O-NE 3.22Å; R571-N611 WeakPolarHBondContact CD-O 3.21Å; R571-L612 HydrophobicContact CB-CD2 4.46Å; R571-E619 IonicContact CZ-OE1 3.33Å; R571-E619 IonicContact CZ-OE2 2.7Å; R571-E619 IonicContact NE-OE1 3.01Å; R571-E619 PolarHBondContact NE-OE1 2.95Å; R571-E619 IonicContact NE-OE2 2.91Å; R571-E619 PolarHBondContact NE-OE2 3.45Å; R571-E619 IonicContact NH2-OE1 2.69Å; R571-E619 PolarHBondContact NH2-OE1 2.85Å; R571-E619 IonicContact NH2-OE2 3.54Å
572	R	96.8	Very high	96.6	Very high	94 Å²	94	34.2 Å²	34.2	36%	0.355	19%	0.192	S	C	.	.	H	α-helix	trans	-58.5	-57.4	172.3	179.5	-165.6	-60.9	-74.2	-3.6	110.2	A568 E569 A570 L574 R575 E576	A568-R572 VanDerWaalsContact O-CB 3.29Å; A568-R572 WeakPolarHBondContact O-CB 3.29Å; A568-R572 PolarHBondContact O-N 2.96Å; E569-R572 WeakPolarHBondContact O-CB 3.42Å; E569-R572 PolarHBondContact O-N 3Å; E569-R572 WeakPolarHBondContact OE2-CD 3.12Å; E569-R572 IonicContact OE2-NE 2.7Å; A570-R572 VanDerWaalsContact C-N 3.31Å; A570-R572 PolarHBondContact O-N 3.5Å; R572-L574 VanDerWaalsContact C-N 3.32Å; R572-L574 PolarHBondContact O-N 3.28Å; R572-R575 WeakPolarHBondContact O-CB 3.4Å; R572-R575 PolarHBondContact O-N 3.25Å; R572-E576 WeakPolarHBondContact CD-OE1 3.44Å; R572-E576 HydrophobicContact CG-CG 4.32Å; R572-E576 WeakPolarHBondContact CG-OE1 3.34Å; R572-E576 WeakPolarHBondContact CG-OE2 3.28Å; R572-E576 IonicContact NH1-OE1 3.9Å; R572-E576 WeakPolarHBondContact O-CB 3.38Å; R572-E576 WeakPolarHBondContact O-CG 3.16Å; R572-E576 PolarHBondContact O-N 3.22Å
573	R	97.9	Very high	96.6	Very high	92 Å²	92	32.3 Å²	32.3	35%	0.347	18%	0.182	S	C	.	.	H	α-helix	trans	-58.4	-38.8	-177.6	-67.6	-55	-166.2	89	28.4	113.7	I516 N517 L520 E569 A570 C577	I516-R573 HydrophobicContact CG2-CB 3.75Å; I516-R573 HydrophobicContact CG2-CG 4.03Å; N517-R573 PolarHBondContact OD1-NH2 2.87Å; L520-R573 HydrophobicContact CD2-CB 4.12Å; L520-R573 WeakPolarHBondContact CD2-O 3.18Å; E569-R573 WeakPolarHBondContact O-CG 3.48Å; E569-R573 PolarHBondContact O-N 2.89Å; E569-R573 IonicContact OE1-CZ 3.09Å; E569-R573 IonicContact OE1-NE 2.67Å; E569-R573 PolarHBondContact OE1-NE 3.41Å; E569-R573 IonicContact OE1-NH2 2.78Å; E569-R573 PolarHBondContact OE1-NH2 3.4Å; E569-R573 VanDerWaalsContact OE1-NH2 3.11Å; A570-R573 PolarHBondContact O-N 3.42Å; R573-C577 PolarHBondContact O-N 3.25Å; R573-C577 VanDerWaalsContact O-N 3.13Å
574	L	98.4	Very high	96.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-71.5	-35.1	176.4	-88.2	77	0	0	0	112.6	I516 L520 V563 A570 R572 C577 L580 L612	I516-L574 HydrophobicContact CD1-CD1 3.65Å; I516-L574 HydrophobicContact CG1-CD1 3.9Å; L520-L574 HydrophobicContact CD1-CD1 4.16Å; L520-L574 HydrophobicContact CD1-CG 3.94Å; L520-L574 HydrophobicContact CD2-CD1 3.91Å; L520-L574 HydrophobicContact CD2-CG 4.19Å; V563-L574 HydrophobicContact CG2-CD1 4.16Å; V563-L574 HydrophobicContact CG2-CD2 4.4Å; A570-L574 VanDerWaalsContact O-CD1 3.24Å; A570-L574 WeakPolarHBondContact O-CD1 3.38Å; A570-L574 PolarHBondContact O-N 3.28Å; R572-L574 VanDerWaalsContact C-N 3.32Å; R572-L574 PolarHBondContact O-N 3.28Å; L574-C577 WeakPolarHBondContact O-CB 3.41Å; L574-C577 PolarHBondContact O-N 2.88Å; L574-L580 HydrophobicContact CB-CD2 4.25Å; L574-L580 HydrophobicContact CD2-CD2 4.42Å; L574-L580 HydrophobicContact CG-CD2 4.09Å; L574-L612 HydrophobicContact CB-CD1 4.17Å; L574-L612 HydrophobicContact CB-CD2 3.52Å; L574-L612 HydrophobicContact CB-CG 4.5Å; L574-L612 HydrophobicContact CD2-CD2 4.19Å; L574-L612 HydrophobicContact CG-CD2 4.5Å
575	R	97.6	Very high	96.5	Very high	9 Å²	9	32.7 Å²	32.7	3%	0.034	18%	0.184	C	C	.	.	H	α-helix	trans	-67.3	-38.7	172.7	-80.9	179.1	-64.4	-146.8	6.1	112.4	R571 R572 C577 L612 Y614 E619 F689 L692	R571-R575 WeakPolarHBondContact O-CB 3.24Å; R571-R575 WeakPolarHBondContact O-CG 3.33Å; R571-R575 PolarHBondContact O-N 3.43Å; R571-R575 VanDerWaalsContact O-N 3.09Å; R571-R575 PolarHBondContact O-NE 3.22Å; R572-R575 WeakPolarHBondContact O-CB 3.4Å; R572-R575 PolarHBondContact O-N 3.25Å; R575-C577 VanDerWaalsContact C-N 3.26Å; R575-C577 PolarHBondContact O-N 3.45Å; R575-L612 HydrophobicContact CG-CB 4.07Å; R575-L612 HydrophobicContact CG-CD1 4.38Å; R575-L612 HydrophobicContact CG-CD2 4.37Å; R575-L612 HydrophobicContact CG-CG 4.49Å; R575-L612 PolarHBondContact NH1-O 3.5Å; R575-Y614 PolarHBondContact NH1-O 2.91Å; R575-E619 IonicContact CZ-OE2 2.86Å; R575-E619 IonicContact NH1-OE2 2.72Å; R575-E619 PolarHBondContact NH1-OE2 2.76Å; R575-E619 IonicContact NH2-OE2 3.68Å; R575-E619 PolarHBondContact NH2-OE2 2.76Å; R575-F689 HydrophobicContact CB-CB 3.58Å; R575-F689 HydrophobicContact CB-CD1 4.5Å; R575-F689 HydrophobicContact CB-CG 4.16Å; R575-F689 HydrophobicContact CG-CB 3.82Å; R575-F689 WeakPolarHBondContact O-CB 3.2Å; R575-F689 WeakPolarHBondContact O-CD1 3.27Å; R575-L692 HydrophobicContact CG-CD1 3.72Å
576	E	96.1	Very high	96.5	Very high	94 Å²	94	31.3 Å²	31.3	44%	0.439	17%	0.17	S	C	.	.	S	Bend	trans	-80	-3.4	178.4	-68.3	168.4	-177.1	0	0	113.1	R572 A578	R572-E576 WeakPolarHBondContact CD-OE1 3.44Å; R572-E576 HydrophobicContact CG-CG 4.32Å; R572-E576 WeakPolarHBondContact CG-OE1 3.34Å; R572-E576 WeakPolarHBondContact CG-OE2 3.28Å; R572-E576 IonicContact NH1-OE1 3.9Å; R572-E576 WeakPolarHBondContact O-CB 3.38Å; R572-E576 WeakPolarHBondContact O-CG 3.16Å; R572-E576 PolarHBondContact O-N 3.22Å; E576-A578 PolarHBondContact O-N 2.67Å
577	C	97.5	Very high	96.8	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.041	16%	0.161	C	C	.	.	S	Bend	trans	-77.6	107.9	176.3	-168.3	0	0	0	0	110.9	L520 T524 R573 L574 R575 G579 L580	L520-C577 HydrophobicContact CD1-CB 4.43Å; L520-C577 HydrophobicContact CD2-CB 4.07Å; L520-C577 HydrophobicContact CG-CB 4.16Å; T524-C577 PolarHBondContact OG1-SG 3.03Å; R573-C577 PolarHBondContact O-N 3.25Å; R573-C577 VanDerWaalsContact O-N 3.13Å; L574-C577 WeakPolarHBondContact O-CB 3.41Å; L574-C577 PolarHBondContact O-N 2.88Å; R575-C577 VanDerWaalsContact C-N 3.26Å; R575-C577 PolarHBondContact O-N 3.45Å; C577-G579 PolarHBondContact O-N 3.43Å; C577-L580 HydrophobicContact CB-CB 3.97Å; C577-L580 HydrophobicContact CB-CD2 4.03Å; C577-L580 WeakPolarHBondContact O-CB 3.33Å; C577-L580 PolarHBondContact O-N 2.84Å; C577-L580 VanDerWaalsContact O-N 3.15Å
578	A	95.8	Very high	97	Very high	70 Å²	70	27.8 Å²	27.8	58%	0.579	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	130.8	-176.7	0	0	0	0	0	112.5	E576 L580	E576-A578 PolarHBondContact O-N 2.67Å; A578-L580 PolarHBondContact O-N 3.3Å
579	G	95.3	Very high	97	Very high	8 Å²	8	31 Å²	31	8%	0.082	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	-9.1	179.8	0	0	0	0	0	115.7	C577 D582 A583	C577-G579 PolarHBondContact O-N 3.43Å; G579-D582 VanDerWaalsContact CA-OD2 3.31Å; G579-D582 WeakPolarHBondContact CA-OD2 3.41Å; G579-A583 WeakPolarHBondContact O-CB 3.15Å; G579-A583 PolarHBondContact O-N 3.07Å
580	L	98.3	Very high	97	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.1	-47.8	-176.8	178.6	56.7	0	0	0	112.4	L520 T524 I528 L560 L574 C577 A578 L584	L520-L580 HydrophobicContact CD1-CD2 3.91Å; T524-L580 HydrophobicContact CG2-CB 3.89Å; T524-L580 HydrophobicContact CG2-CD1 4.34Å; I528-L580 HydrophobicContact CB-CD1 4.42Å; I528-L580 HydrophobicContact CG1-CD1 4.37Å; I528-L580 HydrophobicContact CG2-CD1 3.99Å; L560-L580 HydrophobicContact CD1-CD1 3.96Å; L574-L580 HydrophobicContact CB-CD2 4.25Å; L574-L580 HydrophobicContact CD2-CD2 4.42Å; L574-L580 HydrophobicContact CG-CD2 4.09Å; C577-L580 HydrophobicContact CB-CB 3.97Å; C577-L580 HydrophobicContact CB-CD2 4.03Å; C577-L580 WeakPolarHBondContact O-CB 3.33Å; C577-L580 PolarHBondContact O-N 2.84Å; C577-L580 VanDerWaalsContact O-N 3.15Å; A578-L580 PolarHBondContact O-N 3.3Å; L580-L584 HydrophobicContact CD1-CD1 3.75Å; L580-L584 HydrophobicContact CD1-CG 4.08Å; L580-L584 HydrophobicContact CG-CD1 4.02Å; L580-L584 WeakPolarHBondContact O-CB 2.98Å; L580-L584 WeakPolarHBondContact O-CD1 3.49Å; L580-L584 WeakPolarHBondContact O-CG 3.5Å; L580-L584 PolarHBondContact O-N 2.88Å; L580-L584 VanDerWaalsContact O-N 3.08Å
581	V	97.7	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.4	-39.3	-179.4	177	0	0	0	0	110.5	L584 L585 M609 L612 G688 L691 L692	V581-L584 PolarHBondContact O-N 2.67Å; V581-L585 HydrophobicContact CG1-CD1 4Å; V581-L585 WeakPolarHBondContact O-CB 3.28Å; V581-L585 WeakPolarHBondContact O-CG 3.44Å; V581-L585 PolarHBondContact O-N 3.46Å; V581-M609 HydrophobicContact CG1-CE 4.34Å; V581-L612 HydrophobicContact CG2-CD1 4.1Å; V581-G688 WeakPolarHBondContact CG1-O 3.39Å; V581-L691 HydrophobicContact CG1-CB 4.25Å; V581-L692 HydrophobicContact CG1-CD2 3.73Å; V581-L692 HydrophobicContact CG1-CG 3.95Å
582	D	96.1	Very high	96.8	Very high	19 Å²	19	28 Å²	28	10%	0.102	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-51.5	179.2	-41.1	-103.8	0	0	0	110.8	W534 G579 L585 H586 G688 L691	W534-D582 HydrophobicContact CD2-CB 4.11Å; W534-D582 VanDerWaalsContact CE2-CB 3.48Å; W534-D582 HydrophobicContact CH2-CB 4.13Å; W534-D582 HydrophobicContact CZ2-CB 3.49Å; W534-D582 VanDerWaalsContact CZ2-CB 3.49Å; G579-D582 VanDerWaalsContact CA-OD2 3.31Å; G579-D582 WeakPolarHBondContact CA-OD2 3.41Å; D582-L585 PolarHBondContact O-N 2.9Å; D582-H586 WeakPolarHBondContact O-CB 3.44Å; D582-H586 PolarHBondContact O-N 3.34Å; D582-G688 PolarHBondContact OD1-N 3.41Å; D582-G688 WeakPolarHBondContact OD2-CA 3.19Å; D582-L691 HydrophobicContact CB-CD1 4.27Å; D582-L691 WeakPolarHBondContact OD1-CD1 3.48Å
583	A	97.5	Very high	96.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-40.6	176.7	0	0	0	0	0	113.3	I528 I529 S532 W534 G579 H586 A587	I528-A583 HydrophobicContact CG2-CB 4.05Å; I529-A583 HydrophobicContact CG1-CB 4.02Å; S532-A583 WeakPolarHBondContact CB-O 3.25Å; S532-A583 WeakPolarHBondContact OG-CB 3.41Å; W534-A583 HydrophobicContact CB-CB 4.11Å; W534-A583 HydrophobicContact CD2-CB 4.38Å; W534-A583 HydrophobicContact CE3-CB 4.15Å; W534-A583 HydrophobicContact CG-CB 4.39Å; G579-A583 WeakPolarHBondContact O-CB 3.15Å; G579-A583 PolarHBondContact O-N 3.07Å; A583-H586 PolarHBondContact O-N 3.32Å; A583-A587 WeakPolarHBondContact O-CB 3.24Å; A583-A587 PolarHBondContact O-N 2.82Å
584	L	98.3	Very high	96.4	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.4	-39.9	177.1	-72.3	171.8	0	0	0	112	I528 L580 V581 L588 C605 I608 M609	I528-L584 HydrophobicContact CG2-CD2 4.15Å; I528-L584 HydrophobicContact CG2-CG 4.3Å; L580-L584 HydrophobicContact CD1-CD1 3.75Å; L580-L584 HydrophobicContact CD1-CG 4.08Å; L580-L584 HydrophobicContact CG-CD1 4.02Å; L580-L584 WeakPolarHBondContact O-CB 2.98Å; L580-L584 WeakPolarHBondContact O-CD1 3.49Å; L580-L584 WeakPolarHBondContact O-CG 3.5Å; L580-L584 PolarHBondContact O-N 2.88Å; L580-L584 VanDerWaalsContact O-N 3.08Å; V581-L584 PolarHBondContact O-N 2.67Å; L584-L588 VanDerWaalsContact O-CG 3.24Å; L584-L588 WeakPolarHBondContact O-CG 3.22Å; L584-L588 PolarHBondContact O-N 3.39Å; L584-L588 VanDerWaalsContact O-N 3.14Å; L584-C605 HydrophobicContact CD2-CB 4.08Å; L584-C605 WeakPolarHBondContact CD2-SG 3.45Å; L584-I608 HydrophobicContact CD1-CB 4.22Å; L584-I608 HydrophobicContact CD1-CD1 4.1Å; L584-I608 HydrophobicContact CD1-CG2 3.67Å; L584-I608 HydrophobicContact CD2-CD1 4.17Å; L584-M609 HydrophobicContact CB-SD 4.05Å; L584-M609 HydrophobicContact CD1-SD 4.49Å
585	L	96.8	Very high	96.2	Very high	9 Å²	9	34.4 Å²	34.4	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-44.2	174.2	-81.7	167.3	0	0	0	112	V581 D582 L588 Q589 M609 L691 V697 L700	V581-L585 HydrophobicContact CG1-CD1 4Å; V581-L585 WeakPolarHBondContact O-CB 3.28Å; V581-L585 WeakPolarHBondContact O-CG 3.44Å; V581-L585 PolarHBondContact O-N 3.46Å; D582-L585 PolarHBondContact O-N 2.9Å; L585-L588 PolarHBondContact O-N 3.03Å; L585-Q589 VanDerWaalsContact O-CG 3.29Å; L585-Q589 WeakPolarHBondContact O-CG 3.46Å; L585-Q589 PolarHBondContact O-N 3.42Å; L585-M609 HydrophobicContact CD1-CE 4.02Å; L585-M609 HydrophobicContact CD2-CE 3.47Å; L585-M609 VanDerWaalsContact CD2-CE 3.47Å; L585-M609 HydrophobicContact CG-CE 3.47Å; L585-M609 VanDerWaalsContact CG-CE 3.47Å; L585-M609 HydrophobicContact CG-SD 4.49Å; L585-L691 HydrophobicContact CD1-CB 3.4Å; L585-L691 HydrophobicContact CD1-CD1 3.88Å; L585-L691 HydrophobicContact CD1-CG 4.22Å; L585-V697 HydrophobicContact CD1-CG1 4.46Å; L585-V697 HydrophobicContact CD2-CG1 3.94Å; L585-L700 HydrophobicContact CD2-CD2 3.64Å
586	H	95.6	Very high	96	Very high	37 Å²	37	36.8 Å²	36.8	17%	0.171	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-45.1	178	-170.8	-100.9	0	0	0	112.2	S532 G533 W534 R545 D582 A583 L588 Q589 S590	S532-H586 PolarHBondContact O-ND1 2.96Å; G533-H586 VanDerWaalsContact C-CE1 3.4Å; G533-H586 PolarHBondContact O-CE1 3.04Å; W534-H586 HydrophobicContact CB-CB 3.85Å; W534-H586 HydrophobicContact CG-CB 4.22Å; W534-H586 PolarHBondContact N-ND1 3.49Å; R545-H586 PolarHBondContact O-CE1 3.46Å; R545-H586 VanDerWaalsContact O-CE1 3.22Å; D582-H586 WeakPolarHBondContact O-CB 3.44Å; D582-H586 PolarHBondContact O-N 3.34Å; A583-H586 PolarHBondContact O-N 3.32Å; H586-L588 VanDerWaalsContact C-N 3.32Å; H586-L588 PolarHBondContact O-N 2.83Å; H586-Q589 WeakPolarHBondContact O-CB 3.22Å; H586-Q589 PolarHBondContact O-N 3.34Å; H586-Q589 VanDerWaalsContact O-N 3.12Å; H586-S590 PolarHBondContact O-N 3.41Å
587	A	96.9	Very high	95.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-42.1	176.1	0	0	0	0	0	112	A547 W549 F553 A583 S590 A591	A547-A587 HydrophobicContact CB-CB 4.07Å; W549-A587 HydrophobicContact CH2-CB 4.07Å; W549-A587 WeakPolarHBondContact CH2-O 3.29Å; W549-A587 HydrophobicContact CZ3-CB 4.18Å; F553-A587 HydrophobicContact CZ-CB 4.34Å; A583-A587 WeakPolarHBondContact O-CB 3.24Å; A583-A587 PolarHBondContact O-N 2.82Å; A587-S590 PolarHBondContact O-N 3.47Å; A587-A591 WeakPolarHBondContact O-CB 3.44Å; A587-A591 PolarHBondContact O-N 3.29Å
588	L	97.7	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-33.9	175.1	-69.7	175	0	0	0	112.8	L584 L585 H586 A591 V592 V602 C605 V606 M609 L700	L584-L588 VanDerWaalsContact O-CG 3.24Å; L584-L588 WeakPolarHBondContact O-CG 3.22Å; L584-L588 PolarHBondContact O-N 3.39Å; L584-L588 VanDerWaalsContact O-N 3.14Å; L585-L588 PolarHBondContact O-N 3.03Å; H586-L588 VanDerWaalsContact C-N 3.32Å; H586-L588 PolarHBondContact O-N 2.83Å; L588-A591 WeakPolarHBondContact O-CB 3.46Å; L588-A591 PolarHBondContact O-N 2.85Å; L588-V592 PolarHBondContact O-N 2.81Å; L588-V592 VanDerWaalsContact O-N 3.1Å; L588-V602 HydrophobicContact CD2-CB 4.39Å; L588-V602 HydrophobicContact CD2-CG1 3.73Å; L588-C605 HydrophobicContact CD1-CB 4.21Å; L588-C605 HydrophobicContact CD2-CB 3.7Å; L588-C605 HydrophobicContact CG-CB 3.93Å; L588-V606 HydrophobicContact CD1-CG2 4.12Å; L588-V606 HydrophobicContact CD2-CG2 3.53Å; L588-V606 HydrophobicContact CG-CG2 4.49Å; L588-M609 HydrophobicContact CD1-CG 3.87Å; L588-L700 HydrophobicContact CB-CD1 4.01Å; L588-L700 HydrophobicContact CB-CD2 3.84Å; L588-L700 HydrophobicContact CB-CG 4.38Å; L588-L700 HydrophobicContact CD1-CD2 4.28Å
589	Q	95.8	Very high	95.6	Very high	110 Å²	110	33.8 Å²	33.8	51%	0.514	18%	0.184	S	C	.	.	H	α-helix	trans	-69	-42.8	174.6	-73.2	168.1	-9.7	0	0	111.8	L585 H586 A591 V592 G593 L700	L585-Q589 VanDerWaalsContact O-CG 3.29Å; L585-Q589 WeakPolarHBondContact O-CG 3.46Å; L585-Q589 PolarHBondContact O-N 3.42Å; H586-Q589 WeakPolarHBondContact O-CB 3.22Å; H586-Q589 PolarHBondContact O-N 3.34Å; H586-Q589 VanDerWaalsContact O-N 3.12Å; Q589-A591 VanDerWaalsContact C-N 3.34Å; Q589-V592 PolarHBondContact O-N 3.23Å; Q589-G593 PolarHBondContact O-N 3.45Å; Q589-L700 HydrophobicContact CG-CD1 4.09Å; Q589-L700 HydrophobicContact CG-CD2 4.48Å
590	S	95.1	Very high	95.7	Very high	15 Å²	15	37.6 Å²	37.6	11%	0.105	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-41.3	171.9	177.3	0	0	0	0	111.3	D546 A547 H586 A587 V592 G593 K594	D546-S590 WeakPolarHBondContact CA-OG 3.47Å; D546-S590 PolarHBondContact OD1-OG 3.48Å; A547-S590 PolarHBondContact N-OG 3.17Å; H586-S590 PolarHBondContact O-N 3.41Å; A587-S590 PolarHBondContact O-N 3.47Å; S590-V592 PolarHBondContact O-N 2.8Å; S590-G593 PolarHBondContact O-N 3Å; S590-K594 WeakPolarHBondContact O-CB 3.3Å; S590-K594 PolarHBondContact O-N 3.5Å
591	A	96.1	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.8	-49.7	174.5	0	0	0	0	0	112.8	W549 A587 L588 Q589 K594 K595 D596 V602	W549-A591 HydrophobicContact CH2-CB 4.11Å; W549-A591 HydrophobicContact CZ2-CB 3.71Å; A587-A591 WeakPolarHBondContact O-CB 3.44Å; A587-A591 PolarHBondContact O-N 3.29Å; L588-A591 WeakPolarHBondContact O-CB 3.46Å; L588-A591 PolarHBondContact O-N 2.85Å; Q589-A591 VanDerWaalsContact C-N 3.34Å; A591-K594 PolarHBondContact O-N 2.85Å; A591-K595 CarbonylContact O-C 3.57Å; A591-K595 WeakPolarHBondContact O-CA 3.39Å; A591-K595 PolarHBondContact O-N 2.89Å; A591-D596 PolarHBondContact O-N 2.73Å; A591-V602 HydrophobicContact CB-CG2 3.52Å
592	V	95.6	Very high	95.7	Very high	26 Å²	26	37.6 Å²	37.6	16%	0.158	20%	0.199	C	C	.	.	H	α-helix	trans	-66.1	-42.8	177.1	169.3	0	0	0	0	111.2	L588 Q589 S590 K594 K595 M597 L700 L704	L588-V592 PolarHBondContact O-N 2.81Å; L588-V592 VanDerWaalsContact O-N 3.1Å; Q589-V592 PolarHBondContact O-N 3.23Å; S590-V592 PolarHBondContact O-N 2.8Å; V592-K594 PolarHBondContact O-N 3.03Å; V592-K595 PolarHBondContact O-N 3.35Å; V592-K595 VanDerWaalsContact O-N 3.11Å; V592-M597 HydrophobicContact CB-SD 4.46Å; V592-M597 HydrophobicContact CG2-CG 4.05Å; V592-M597 HydrophobicContact CG2-SD 3.91Å; V592-L700 HydrophobicContact CG2-CD1 3.87Å; V592-L704 HydrophobicContact CG2-CD2 3.98Å; V592-L704 HydrophobicContact CG2-CG 4.01Å
593	G	93.8	Very high	95.8	Very high	69 Å²	69	36.9 Å²	36.9	71%	0.711	20%	0.195	S	C	*	.	H	α-helix	trans	-59.3	-33.2	176.5	0	0	0	0	0	113.6	Q589 S590	Q589-G593 PolarHBondContact O-N 3.45Å; S590-G593 PolarHBondContact O-N 3Å
594	K	93.3	Very high	95.9	Very high	116 Å²	116	37 Å²	37	50%	0.504	20%	0.195	S	C	.	.	H	α-helix	trans	-92	-8.1	175.5	-75.4	-171.6	165	176.2	0	115.4	D546 S590 A591 V592 D596	D546-K594 WeakPolarHBondContact OD1-CE 3.49Å; D546-K594 IonicContact OD1-NZ 2.94Å; D546-K594 WeakPolarHBondContact OD2-CE 3.48Å; D546-K594 IonicContact OD2-NZ 2.66Å; D546-K594 PolarHBondContact OD2-NZ 2.76Å; S590-K594 WeakPolarHBondContact O-CB 3.3Å; S590-K594 PolarHBondContact O-N 3.5Å; A591-K594 PolarHBondContact O-N 2.85Å; V592-K594 PolarHBondContact O-N 3.03Å; K594-D596 PolarHBondContact O-N 3.33Å
595	K	94	Very high	95.9	Very high	134 Å²	134	37 Å²	37	58%	0.583	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	23.8	-169.6	-54.5	-176.9	174.3	-61.8	0	114.8	A591 V592 M597 E707	A591-K595 CarbonylContact O-C 3.57Å; A591-K595 WeakPolarHBondContact O-CA 3.39Å; A591-K595 PolarHBondContact O-N 2.89Å; V592-K595 PolarHBondContact O-N 3.35Å; V592-K595 VanDerWaalsContact O-N 3.11Å; K595-M597 HydrophobicContact CB-CE 4.16Å; K595-M597 PolarHBondContact O-N 2.76Å; K595-E707 VanDerWaalsContact NZ-CD 3.35Å; K595-E707 IonicContact NZ-OE1 2.84Å; K595-E707 PolarHBondContact NZ-OE1 2.78Å; K595-E707 IonicContact NZ-OE2 2.69Å; K595-E707 PolarHBondContact NZ-OE2 2.79Å
596	D	93.2	Very high	96	Very high	60 Å²	60	36.5 Å²	36.5	32%	0.321	19%	0.193	S	C	.	.			trans	-97	64.9	175.6	-176.4	23.2	0	0	0	111.1	W549 A591 K594 N599 V602	W549-D596 PolarHBondContact NE1-OD2 3.19Å; A591-D596 PolarHBondContact O-N 2.73Å; K594-D596 PolarHBondContact O-N 3.33Å; D596-N599 PolarHBondContact OD2-ND2 3.2Å; D596-N599 VanDerWaalsContact OD2-ND2 3.16Å; D596-V602 WeakPolarHBondContact O-CG2 3.49Å
597	M	93.4	Very high	96.1	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.025	19%	0.187	C	C	.	.			trans	-97.9	-19.1	-170.7	-63.8	158.5	-64.9	0	0	114.1	V592 K595 N599 V602 L704 E707	V592-M597 HydrophobicContact CB-SD 4.46Å; V592-M597 HydrophobicContact CG2-CG 4.05Å; V592-M597 HydrophobicContact CG2-SD 3.91Å; K595-M597 HydrophobicContact CB-CE 4.16Å; K595-M597 PolarHBondContact O-N 2.76Å; M597-N599 VanDerWaalsContact C-N 3.28Å; M597-V602 WeakPolarHBondContact O-CB 3.21Å; M597-V602 WeakPolarHBondContact O-CG1 3.34Å; M597-L704 HydrophobicContact CB-CD2 3.94Å; M597-L704 HydrophobicContact CG-CD2 3.81Å; M597-L704 HydrophobicContact SD-CD2 4.34Å; M597-E707 HydrophobicContact CE-CB 3.3Å; M597-E707 HydrophobicContact CE-CG 4.44Å; M597-E707 HydrophobicContact SD-CB 3.83Å
598	D	93.9	Very high	96.2	Very high	63 Å²	63	35.1 Å²	35.1	34%	0.337	19%	0.187	S	C	.	.	S	Bend	trans	-86.1	-4.1	-179.1	-67.7	-36.5	0	0	0	113.1	S708 Q709 N710	D598-S708 WeakPolarHBondContact OD1-CA 3.35Å; D598-S708 WeakPolarHBondContact OD1-CB 3.48Å; D598-S708 PolarHBondContact OD1-OG 3.48Å; D598-Q709 VanDerWaalsContact CG-N 3.31Å; D598-Q709 PolarHBondContact OD1-N 2.72Å; D598-Q709 WeakPolarHBondContact OD2-CB 3.14Å; D598-Q709 PolarHBondContact OD2-N 2.7Å; D598-N710 HydrophobicContact CB-CB 4.25Å; D598-N710 WeakPolarHBondContact OD1-CB 3.45Å; D598-N710 PolarHBondContact OD1-N 3.47Å
599	N	94.3	Very high	96.3	Very high	38 Å²	38	35.1 Å²	35.1	20%	0.203	19%	0.187	C	C	.	.	S	Bend	trans	-52.5	135.2	172.1	-163.7	-52.8	0	0	0	112	W549 D596 M597 S601 V602 E603	W549-N599 WeakPolarHBondContact CB-ND2 3.45Å; D596-N599 PolarHBondContact OD2-ND2 3.2Å; D596-N599 VanDerWaalsContact OD2-ND2 3.16Å; M597-N599 VanDerWaalsContact C-N 3.28Å; N599-S601 PolarHBondContact O-N 3.49Å; N599-S601 VanDerWaalsContact O-N 3.13Å; N599-S601 VanDerWaalsContact OD1-CB 3.3Å; N599-S601 WeakPolarHBondContact OD1-CB 3.27Å; N599-S601 PolarHBondContact OD1-N 2.78Å; N599-S601 PolarHBondContact OD1-OG 2.5Å; N599-V602 HydrophobicContact CB-CB 4.37Å; N599-V602 HydrophobicContact CB-CG2 4.1Å; N599-V602 WeakPolarHBondContact O-CA 3.49Å; N599-V602 WeakPolarHBondContact O-CB 3.43Å; N599-V602 PolarHBondContact O-N 2.99Å; N599-E603 PolarHBondContact O-N 2.71Å; N599-E603 VanDerWaalsContact O-N 3.09Å
600	K	96.7	Very high	96.4	Very high	88 Å²	88	32.6 Å²	32.6	38%	0.383	17%	0.173	S	C	.	.	H	α-helix	trans	-61.3	-26.7	-179.9	-167	54.6	160.7	-173.5	0	113	K554 E603 N604	K554-K600 HydrophobicContact CD-CB 4.4Å; K554-K600 HydrophobicContact CG-CB 4.48Å; K600-E603 HydrophobicContact CD-CB 4.34Å; K600-E603 VanDerWaalsContact CD-OE2 3.3Å; K600-E603 WeakPolarHBondContact CD-OE2 3.44Å; K600-E603 IonicContact NZ-OE1 2.67Å; K600-E603 PolarHBondContact NZ-OE1 2.96Å; K600-E603 IonicContact NZ-OE2 3.18Å; K600-E603 PolarHBondContact NZ-OE2 3.45Å; K600-N604 PolarHBondContact O-N 2.91Å; K600-N604 PolarHBondContact O-ND2 3.26Å
601	S	97.9	Very high	96.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-41.4	172.7	-56.1	0	0	0	0	111.7	W549 N599 N604 C605	W549-S601 VanDerWaalsContact CE3-CB 3.43Å; N599-S601 PolarHBondContact O-N 3.49Å; N599-S601 VanDerWaalsContact O-N 3.13Å; N599-S601 VanDerWaalsContact OD1-CB 3.3Å; N599-S601 WeakPolarHBondContact OD1-CB 3.27Å; N599-S601 PolarHBondContact OD1-N 2.78Å; N599-S601 PolarHBondContact OD1-OG 2.5Å; S601-N604 PolarHBondContact O-N 2.54Å; S601-C605 PolarHBondContact O-N 2.89Å; S601-C605 PolarHBondContact O-SG 2.93Å
602	V	98.1	Very high	96.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-48.1	176	170.5	0	0	0	0	110.3	W549 L588 A591 D596 M597 N599 N604 C605 V606 L704 T713	W549-V602 HydrophobicContact CH2-CG2 3.68Å; W549-V602 HydrophobicContact CZ2-CG2 3.74Å; W549-V602 HydrophobicContact CZ3-CG2 4.32Å; L588-V602 HydrophobicContact CD2-CB 4.39Å; L588-V602 HydrophobicContact CD2-CG1 3.73Å; A591-V602 HydrophobicContact CB-CG2 3.52Å; D596-V602 WeakPolarHBondContact O-CG2 3.49Å; M597-V602 WeakPolarHBondContact O-CB 3.21Å; M597-V602 WeakPolarHBondContact O-CG1 3.34Å; N599-V602 HydrophobicContact CB-CB 4.37Å; N599-V602 HydrophobicContact CB-CG2 4.1Å; N599-V602 WeakPolarHBondContact O-CA 3.49Å; N599-V602 WeakPolarHBondContact O-CB 3.43Å; N599-V602 PolarHBondContact O-N 2.99Å; V602-N604 VanDerWaalsContact C-N 3.27Å; V602-N604 PolarHBondContact O-N 3.12Å; V602-C605 PolarHBondContact O-N 3.02Å; V602-V606 HydrophobicContact CG1-CG2 4.16Å; V602-V606 WeakPolarHBondContact O-CG2 3.48Å; V602-V606 PolarHBondContact O-N 2.77Å; V602-L704 HydrophobicContact CG1-CD2 4.09Å; V602-T713 HydrophobicContact CG1-CG2 4.38Å
603	E	98.3	Very high	96.8	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.019	17%	0.169	C	C	.	.	H	α-helix	trans	-53	-45.7	174.8	-170.9	-157.9	119.8	0	0	111.7	R561 N599 K600 C607 N710 N712	R561-E603 IonicContact CZ-OE1 3.31Å; R561-E603 IonicContact NH1-OE1 2.71Å; R561-E603 PolarHBondContact NH1-OE1 2.87Å; R561-E603 IonicContact NH2-OE1 3.27Å; R561-E603 PolarHBondContact NH2-OE1 3.18Å; N599-E603 PolarHBondContact O-N 2.71Å; N599-E603 VanDerWaalsContact O-N 3.09Å; K600-E603 HydrophobicContact CD-CB 4.34Å; K600-E603 VanDerWaalsContact CD-OE2 3.3Å; K600-E603 WeakPolarHBondContact CD-OE2 3.44Å; K600-E603 IonicContact NZ-OE1 2.67Å; K600-E603 PolarHBondContact NZ-OE1 2.96Å; K600-E603 IonicContact NZ-OE2 3.18Å; K600-E603 PolarHBondContact NZ-OE2 3.45Å; E603-C607 WeakPolarHBondContact O-CB 3.44Å; E603-C607 PolarHBondContact O-N 2.57Å; E603-C607 PolarHBondContact O-SG 3.45Å; E603-C607 VanDerWaalsContact O-SG 3.4Å; E603-N710 PolarHBondContact OE2-ND2 2.89Å; E603-N712 HydrophobicContact CG-CB 3.59Å
604	N	98.6	Very high	96.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-44.6	176	-76	-19.9	0	0	0	112.2	K554 S557 G558 R561 K600 S601 V602 C607 I608	K554-N604 PolarHBondContact O-ND2 2.97Å; K554-N604 VanDerWaalsContact O-ND2 3.1Å; S557-N604 WeakPolarHBondContact OG-CB 3.25Å; S557-N604 PolarHBondContact OG-ND2 3.28Å; G558-N604 WeakPolarHBondContact CA-ND2 3.34Å; G558-N604 PolarHBondContact N-ND2 2.95Å; R561-N604 WeakPolarHBondContact CD-OD1 3.27Å; R561-N604 PolarHBondContact NH1-OD1 3.45Å; K600-N604 PolarHBondContact O-N 2.91Å; K600-N604 PolarHBondContact O-ND2 3.26Å; S601-N604 PolarHBondContact O-N 2.54Å; V602-N604 VanDerWaalsContact C-N 3.27Å; V602-N604 PolarHBondContact O-N 3.12Å; N604-C607 PolarHBondContact O-N 3.39Å; N604-I608 WeakPolarHBondContact O-CG1 3.3Å; N604-I608 PolarHBondContact O-N 3.18Å
605	C	98.7	Very high	97	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-49.3	178.4	-66.3	0	0	0	0	111.7	L584 L588 S601 V602 C607 I608 M609	L584-C605 HydrophobicContact CD2-CB 4.08Å; L584-C605 WeakPolarHBondContact CD2-SG 3.45Å; L588-C605 HydrophobicContact CD1-CB 4.21Å; L588-C605 HydrophobicContact CD2-CB 3.7Å; L588-C605 HydrophobicContact CG-CB 3.93Å; S601-C605 PolarHBondContact O-N 2.89Å; S601-C605 PolarHBondContact O-SG 2.93Å; V602-C605 PolarHBondContact O-N 3.02Å; C605-C607 VanDerWaalsContact C-N 3.27Å; C605-C607 PolarHBondContact O-N 3.11Å; C605-I608 PolarHBondContact O-N 3.28Å; C605-I608 VanDerWaalsContact O-N 3.11Å; C605-M609 VanDerWaalsContact O-CG 3.28Å; C605-M609 WeakPolarHBondContact O-CG 3.16Å; C605-M609 PolarHBondContact O-N 3.1Å
606	V	98.6	Very high	96.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-36.2	177.6	-171.7	0	0	0	0	111.2	L588 V602 M609 R610 Y701 L704 T713 A716 A717	L588-V606 HydrophobicContact CD1-CG2 4.12Å; L588-V606 HydrophobicContact CD2-CG2 3.53Å; L588-V606 HydrophobicContact CG-CG2 4.49Å; V602-V606 HydrophobicContact CG1-CG2 4.16Å; V602-V606 WeakPolarHBondContact O-CG2 3.48Å; V602-V606 PolarHBondContact O-N 2.77Å; V606-M609 PolarHBondContact O-N 3.19Å; V606-R610 PolarHBondContact O-N 3.14Å; V606-Y701 HydrophobicContact CG1-CE1 4.42Å; V606-L704 HydrophobicContact CG2-CD1 3.7Å; V606-T713 HydrophobicContact CG2-CG2 4.26Å; V606-A716 HydrophobicContact CB-CB 3.96Å; V606-A716 HydrophobicContact CG1-CB 3.55Å; V606-A717 HydrophobicContact CG1-CB 4.04Å
607	C	98.6	Very high	96.8	Very high	8 Å²	8	19.1 Å²	19.1	5%	0.054	9%	0.089	C	C	.	.	H	α-helix	trans	-64.6	-40.7	172.9	-78.6	0	0	0	0	113.7	R561 E603 N604 C605 M609 N611 A716	R561-C607 HydrophobicContact CG-CB 3.78Å; R561-C607 VanDerWaalsContact CZ-SG 3.51Å; R561-C607 PolarHBondContact NH2-SG 3.36Å; E603-C607 WeakPolarHBondContact O-CB 3.44Å; E603-C607 PolarHBondContact O-N 2.57Å; E603-C607 PolarHBondContact O-SG 3.45Å; E603-C607 VanDerWaalsContact O-SG 3.4Å; N604-C607 PolarHBondContact O-N 3.39Å; C605-C607 VanDerWaalsContact C-N 3.27Å; C605-C607 PolarHBondContact O-N 3.11Å; C607-M609 VanDerWaalsContact C-N 3.33Å; C607-N611 WeakPolarHBondContact O-CB 3.45Å; C607-N611 PolarHBondContact O-N 3.34Å; C607-N611 VanDerWaalsContact O-N 3.07Å; C607-N611 PolarHBondContact O-ND2 3.24Å; C607-N611 PolarHBondContact O-OD1 3.07Å; C607-A716 VanDerWaalsContact SG-CB 3.59Å
608	I	98.8	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.5	-48.4	171.6	-63.8	160.5	0	0	0	109.3	L560 R561 L584 N604 C605 R610 N611 L612	L560-I608 HydrophobicContact CB-CD1 3.7Å; L560-I608 HydrophobicContact CB-CG1 4.33Å; R561-I608 HydrophobicContact CB-CG1 4.04Å; L584-I608 HydrophobicContact CD1-CB 4.22Å; L584-I608 HydrophobicContact CD1-CD1 4.1Å; L584-I608 HydrophobicContact CD1-CG2 3.67Å; L584-I608 HydrophobicContact CD2-CD1 4.17Å; N604-I608 WeakPolarHBondContact O-CG1 3.3Å; N604-I608 PolarHBondContact O-N 3.18Å; C605-I608 PolarHBondContact O-N 3.28Å; C605-I608 VanDerWaalsContact O-N 3.11Å; I608-R610 PolarHBondContact O-N 2.93Å; I608-N611 WeakPolarHBondContact O-CB 3.28Å; I608-N611 PolarHBondContact O-N 2.72Å; I608-L612 HydrophobicContact CG2-CD1 3.85Å; I608-L612 HydrophobicContact CG2-CG 4Å; I608-L612 WeakPolarHBondContact O-CG 3.42Å; I608-L612 PolarHBondContact O-N 3.32Å
609	M	98.5	Very high	96.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.4	-41.1	-177.2	-65.3	-60.5	-68.5	0	0	112.8	V581 L584 L585 L588 C605 V606 C607 S613 L692 Y701	V581-M609 HydrophobicContact CG1-CE 4.34Å; L584-M609 HydrophobicContact CB-SD 4.05Å; L584-M609 HydrophobicContact CD1-SD 4.49Å; L585-M609 HydrophobicContact CD1-CE 4.02Å; L585-M609 HydrophobicContact CD2-CE 3.47Å; L585-M609 VanDerWaalsContact CD2-CE 3.47Å; L585-M609 HydrophobicContact CG-CE 3.47Å; L585-M609 VanDerWaalsContact CG-CE 3.47Å; L585-M609 HydrophobicContact CG-SD 4.49Å; L588-M609 HydrophobicContact CD1-CG 3.87Å; C605-M609 VanDerWaalsContact O-CG 3.28Å; C605-M609 WeakPolarHBondContact O-CG 3.16Å; C605-M609 PolarHBondContact O-N 3.1Å; V606-M609 PolarHBondContact O-N 3.19Å; C607-M609 VanDerWaalsContact C-N 3.33Å; M609-S613 VanDerWaalsContact O-CB 3.31Å; M609-S613 WeakPolarHBondContact O-CB 3.22Å; M609-S613 PolarHBondContact O-N 3.1Å; M609-S613 PolarHBondContact O-OG 3.03Å; M609-L692 HydrophobicContact CE-CD2 3.4Å; M609-L692 HydrophobicContact SD-CD2 4.01Å; M609-Y701 HydrophobicContact CB-CE1 4.5Å
610	R	98.6	Very high	96.3	Very high	57 Å²	57	19.9 Å²	19.9	22%	0.215	9%	0.088	C	C	.	.	H	α-helix	trans	-57	-47.9	169.2	171.9	180	177	-164.4	13.9	111.9	V606 I608 S613 Y614 E715 A720 N723	V606-R610 PolarHBondContact O-N 3.14Å; I608-R610 PolarHBondContact O-N 2.93Å; R610-S613 WeakPolarHBondContact O-CB 3.11Å; R610-S613 PolarHBondContact O-N 3.11Å; R610-Y614 PolarHBondContact O-N 2.55Å; R610-Y614 VanDerWaalsContact O-N 3.15Å; R610-E715 IonicContact CZ-OE1 3.81Å; R610-E715 IonicContact NH1-OE1 3.76Å; R610-E715 PolarHBondContact NH1-OE1 2.93Å; R610-E715 IonicContact NH2-OE1 3.38Å; R610-E715 PolarHBondContact NH2-OE1 2.85Å; R610-A720 HydrophobicContact CB-CB 4.24Å; R610-N723 PolarHBondContact O-ND2 3.15Å
611	N	98.5	Very high	95.7	Very high	33 Å²	33	19.3 Å²	19.3	18%	0.176	9%	0.093	C	C	.	.	H	α-helix	trans	-67.3	-41.2	-176.5	-69.5	-8	0	0	0	112	S564 R571 C607 I608 S613 Y614	S564-N611 WeakPolarHBondContact OG-CB 3.42Å; S564-N611 PolarHBondContact OG-ND2 2.89Å; R571-N611 WeakPolarHBondContact CD-O 3.21Å; C607-N611 WeakPolarHBondContact O-CB 3.45Å; C607-N611 PolarHBondContact O-N 3.34Å; C607-N611 VanDerWaalsContact O-N 3.07Å; C607-N611 PolarHBondContact O-ND2 3.24Å; C607-N611 PolarHBondContact O-OD1 3.07Å; I608-N611 WeakPolarHBondContact O-CB 3.28Å; I608-N611 PolarHBondContact O-N 2.72Å; N611-S613 VanDerWaalsContact C-N 3.3Å; N611-S613 PolarHBondContact O-N 3.27Å; N611-Y614 WeakPolarHBondContact O-CB 3.43Å; N611-Y614 PolarHBondContact O-N 2.93Å
612	L	98.4	Very high	95	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.8	-26.7	175.9	-57.7	-173.2	0	0	0	112.9	R571 L574 R575 V581 I608 Y614 L692	R571-L612 HydrophobicContact CB-CD2 4.46Å; L574-L612 HydrophobicContact CB-CD1 4.17Å; L574-L612 HydrophobicContact CB-CD2 3.52Å; L574-L612 HydrophobicContact CB-CG 4.5Å; L574-L612 HydrophobicContact CD2-CD2 4.19Å; L574-L612 HydrophobicContact CG-CD2 4.5Å; R575-L612 HydrophobicContact CG-CB 4.07Å; R575-L612 HydrophobicContact CG-CD1 4.38Å; R575-L612 HydrophobicContact CG-CD2 4.37Å; R575-L612 HydrophobicContact CG-CG 4.49Å; R575-L612 PolarHBondContact NH1-O 3.5Å; V581-L612 HydrophobicContact CG2-CD1 4.1Å; I608-L612 HydrophobicContact CG2-CD1 3.85Å; I608-L612 HydrophobicContact CG2-CG 4Å; I608-L612 WeakPolarHBondContact O-CG 3.42Å; I608-L612 PolarHBondContact O-N 3.32Å; L612-Y614 VanDerWaalsContact C-N 3.32Å; L612-L692 HydrophobicContact CB-CD1 3.79Å; L612-L692 HydrophobicContact CB-CD2 4.29Å
613	S	97.7	Very high	94.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-72.8	-21.7	171.9	-58.1	0	0	0	0	113.2	M609 R610 N611 H615 V616	M609-S613 VanDerWaalsContact O-CB 3.31Å; M609-S613 WeakPolarHBondContact O-CB 3.22Å; M609-S613 PolarHBondContact O-N 3.1Å; M609-S613 PolarHBondContact O-OG 3.03Å; R610-S613 WeakPolarHBondContact O-CB 3.11Å; R610-S613 PolarHBondContact O-N 3.11Å; N611-S613 VanDerWaalsContact C-N 3.3Å; N611-S613 PolarHBondContact O-N 3.27Å; S613-H615 PolarHBondContact O-N 2.86Å; S613-V616 WeakPolarHBondContact O-CB 3.43Å; S613-V616 WeakPolarHBondContact O-CG1 3.23Å; S613-V616 PolarHBondContact O-N 3.46Å
614	Y	97.2	Very high	93.5	Very high	60 Å²	60	25.4 Å²	25.4	24%	0.235	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	131.9	178	-175.9	-95.8	0	0	0	110.8	R575 R610 N611 L612 V616 L906	R575-Y614 PolarHBondContact NH1-O 2.91Å; R610-Y614 PolarHBondContact O-N 2.55Å; R610-Y614 VanDerWaalsContact O-N 3.15Å; N611-Y614 WeakPolarHBondContact O-CB 3.43Å; N611-Y614 PolarHBondContact O-N 2.93Å; L612-Y614 VanDerWaalsContact C-N 3.32Å; Y614-V616 PolarHBondContact O-N 3.17Å; Y614-L906 HydrophobicContact CD2-CD1 4.18Å; Y614-L906 HydrophobicContact CE2-CD1 3.96Å; Y614-L906 HydrophobicContact CE2-CD2 3.81Å
615	H	94.1	Very high	92.6	Very high	29 Å²	29	33.9 Å²	33.9	13%	0.134	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	22.5	-173.4	-77.2	165.4	0	0	0	115.6	S613 H617 K618 E619	S613-H615 PolarHBondContact O-N 2.86Å; H615-H617 PolarHBondContact O-N 2.85Å; H615-H617 VanDerWaalsContact O-N 3.09Å; H615-K618 PolarHBondContact O-N 3.35Å; H615-E619 VanDerWaalsContact CB-CD 3.48Å; H615-E619 HydrophobicContact CB-CG 3.9Å; H615-E619 VanDerWaalsContact CB-OE1 3.29Å; H615-E619 WeakPolarHBondContact CB-OE1 3.16Å; H615-E619 IonicContact CG-OE1 2.67Å; H615-E619 IonicContact ND1-OE1 2.75Å; H615-E619 WeakPolarHBondContact O-CB 3.48Å; H615-E619 PolarHBondContact O-N 3.12Å
616	V	93.3	Very high	91.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-54.5	-35.9	179.4	73	0	0	0	0	111.9	S613 Y614 K618 E619 V620 Y693 L724 W729	S613-V616 WeakPolarHBondContact O-CB 3.43Å; S613-V616 WeakPolarHBondContact O-CG1 3.23Å; S613-V616 PolarHBondContact O-N 3.46Å; Y614-V616 PolarHBondContact O-N 3.17Å; V616-K618 VanDerWaalsContact C-N 3.26Å; V616-K618 PolarHBondContact O-N 3.37Å; V616-E619 PolarHBondContact O-N 3.23Å; V616-V620 HydrophobicContact CG2-CG1 3.48Å; V616-V620 VanDerWaalsContact CG2-CG1 3.48Å; V616-V620 WeakPolarHBondContact O-CG1 3.44Å; V616-V620 WeakPolarHBondContact O-CG2 3.41Å; V616-V620 PolarHBondContact O-N 3.36Å; V616-Y693 HydrophobicContact CG2-CD1 3.82Å; V616-Y693 HydrophobicContact CG2-CE1 4.44Å; V616-L724 HydrophobicContact CG1-CD2 4Å; V616-W729 HydrophobicContact CG1-CH2 4.31Å; V616-W729 HydrophobicContact CG1-CZ2 3.95Å
617	H	90.6	Very high	90.9	Very high	14 Å²	14	41.5 Å²	41.5	7%	0.065	19%	0.193	C	C	.	.	H	α-helix	trans	-70.7	-9.3	177.4	70.4	-102.2	0	0	0	115.8	H615 A726 W729	H615-H617 PolarHBondContact O-N 2.85Å; H615-H617 VanDerWaalsContact O-N 3.09Å; H617-A726 PolarHBondContact CE1-O 3.32Å; H617-A726 PolarHBondContact ND1-O 3.36Å; H617-W729 HydrophobicContact CB-CD2 3.53Å; H617-W729 HydrophobicContact CB-CE3 4.12Å; H617-W729 HydrophobicContact CB-CG 3.8Å; H617-W729 HydrophobicContact CB-CH2 4.4Å; H617-W729 HydrophobicContact CB-CZ2 3.81Å
618	K	90.4	Very high	89.3	Confident	87 Å²	87	43.5 Å²	43.5	38%	0.378	20%	0.203	S	C	.	.	H	α-helix	trans	-114.1	-26.3	174.1	-54.9	-170.9	-174.3	174.2	0	112.9	H615 V616 L906 E908	H615-K618 PolarHBondContact O-N 3.35Å; V616-K618 VanDerWaalsContact C-N 3.26Å; V616-K618 PolarHBondContact O-N 3.37Å; K618-L906 WeakPolarHBondContact CE-O 3.33Å; K618-L906 PolarHBondContact NZ-O 3.27Å; K618-E908 IonicContact NZ-OE2 3.63Å; K618-E908 PolarHBondContact NZ-OE2 2.97Å
619	E	91.4	Very high	87.2	Confident	27 Å²	27	48.7 Å²	48.7	13%	0.126	24%	0.236	C	C	.	.	H	α-helix	trans	-103.8	-17.3	-165.7	-67.6	175.5	-178.4	0	0	115	A568 R571 R575 H615 V616	A568-E619 HydrophobicContact CB-CG 4.37Å; A568-E619 WeakPolarHBondContact CB-OE1 3.4Å; R571-E619 IonicContact CZ-OE1 3.33Å; R571-E619 IonicContact CZ-OE2 2.7Å; R571-E619 IonicContact NE-OE1 3.01Å; R571-E619 PolarHBondContact NE-OE1 2.95Å; R571-E619 IonicContact NE-OE2 2.91Å; R571-E619 PolarHBondContact NE-OE2 3.45Å; R571-E619 IonicContact NH2-OE1 2.69Å; R571-E619 PolarHBondContact NH2-OE1 2.85Å; R571-E619 IonicContact NH2-OE2 3.54Å; R575-E619 IonicContact CZ-OE2 2.86Å; R575-E619 IonicContact NH1-OE2 2.72Å; R575-E619 PolarHBondContact NH1-OE2 2.76Å; R575-E619 IonicContact NH2-OE2 3.68Å; R575-E619 PolarHBondContact NH2-OE2 2.76Å; H615-E619 VanDerWaalsContact CB-CD 3.48Å; H615-E619 HydrophobicContact CB-CG 3.9Å; H615-E619 VanDerWaalsContact CB-OE1 3.29Å; H615-E619 WeakPolarHBondContact CB-OE1 3.16Å; H615-E619 IonicContact CG-OE1 2.67Å; H615-E619 IonicContact ND1-OE1 2.75Å; H615-E619 WeakPolarHBondContact O-CB 3.48Å; H615-E619 PolarHBondContact O-N 3.12Å; V616-E619 PolarHBondContact O-N 3.23Å
620	V	89.6	Confident	85.1	Confident	8 Å²	8	52.5 Å²	52.5	5%	0.048	26%	0.263	C	S	.	.	S	Bend	trans	-79.4	144.9	178.3	-59.2	0	0	0	0	112.5	V616 G622 A623 F689 Y693 W729	V616-V620 HydrophobicContact CG2-CG1 3.48Å; V616-V620 VanDerWaalsContact CG2-CG1 3.48Å; V616-V620 WeakPolarHBondContact O-CG1 3.44Å; V616-V620 WeakPolarHBondContact O-CG2 3.41Å; V616-V620 PolarHBondContact O-N 3.36Å; V620-G622 PolarHBondContact O-N 3.02Å; V620-A623 HydrophobicContact CG2-CB 3.91Å; V620-A623 WeakPolarHBondContact O-CB 3.49Å; V620-A623 PolarHBondContact O-N 3.04Å; V620-F689 HydrophobicContact CB-CD2 4.27Å; V620-F689 HydrophobicContact CB-CE2 3.98Å; V620-F689 HydrophobicContact CG1-CD2 3.86Å; V620-F689 HydrophobicContact CG1-CE2 4.1Å; V620-Y693 HydrophobicContact CG1-CE1 4.47Å; V620-Y693 HydrophobicContact CG2-CE1 4.45Å; V620-W729 HydrophobicContact CG2-CZ3 4.38Å
621	P	84.7	Confident	82.6	Confident	75 Å²	75	52.9 Å²	52.9	49%	0.487	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	130.2	174.5	-24.1	34.3	0	0	0	112.4
622	G	81.9	Confident	79.9	Confident	12 Å²	12	58.8 Å²	58.8	12%	0.124	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	14.1	175.9	0	0	0	0	0	115.5	V620 E624 R625	V620-G622 PolarHBondContact O-N 3.02Å; G622-E624 VanDerWaalsContact CA-OE1 3.32Å; G622-E624 WeakPolarHBondContact CA-OE1 3.5Å; G622-E624 WeakPolarHBondContact CA-OE2 3.49Å; G622-E624 PolarHBondContact O-N 3.4Å; G622-R625 WeakPolarHBondContact O-CB 3.42Å; G622-R625 PolarHBondContact O-N 2.89Å; G622-R625 PolarHBondContact O-NE 2.87Å; G622-R625 VanDerWaalsContact O-NE 3.1Å
623	A	83.4	Confident	77.1	Confident	4 Å²	4	67 Å²	67	3%	0.033	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-60.2	-30.9	179.2	0	0	0	0	0	113.3	V620 R625 F626	V620-A623 HydrophobicContact CG2-CB 3.91Å; V620-A623 WeakPolarHBondContact O-CB 3.49Å; V620-A623 PolarHBondContact O-N 3.04Å; A623-R625 PolarHBondContact O-N 2.96Å; A623-F626 PolarHBondContact O-N 3.28Å
624	E	81.3	Confident	73.9	Confident	118 Å²	118	70.1 Å²	70.1	55%	0.551	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-59.2	-28.3	178.2	71.2	-65.4	156	0	0	112.9	G622 F626 Q627	G622-E624 VanDerWaalsContact CA-OE1 3.32Å; G622-E624 WeakPolarHBondContact CA-OE1 3.5Å; G622-E624 WeakPolarHBondContact CA-OE2 3.49Å; G622-E624 PolarHBondContact O-N 3.4Å; E624-F626 PolarHBondContact O-N 3.02Å; E624-Q627 PolarHBondContact O-N 3.3Å
625	R	81.1	Confident	71.3	Confident	179 Å²	179	74 Å²	74	68%	0.675	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-69.1	-14.5	176.3	-57.1	176.8	-64.7	-176.6	2.3	113.6	G622 A623	G622-R625 WeakPolarHBondContact O-CB 3.42Å; G622-R625 PolarHBondContact O-N 2.89Å; G622-R625 PolarHBondContact O-NE 2.87Å; G622-R625 VanDerWaalsContact O-NE 3.1Å; A623-R625 PolarHBondContact O-N 2.96Å
626	F	82	Confident	68.8	Low	51 Å²	51	75.8 Å²	75.8	22%	0.224	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-108.5	2.7	178.7	-56.7	-70.9	0	0	0	112.8	A623 E624 W729 T730 W731	A623-F626 PolarHBondContact O-N 3.28Å; E624-F626 PolarHBondContact O-N 3.02Å; F626-W729 HydrophobicContact CB-CE3 3.96Å; F626-W729 HydrophobicContact CD2-CE3 4.5Å; F626-W729 HydrophobicContact CD2-CZ3 4.47Å; F626-W729 CarbonylContact O-C 3.58Å; F626-W729 WeakPolarHBondContact O-CA 3.16Å; F626-W729 WeakPolarHBondContact O-CB 3.41Å; F626-T730 PolarHBondContact O-N 2.89Å; F626-T730 PolarHBondContact O-OG1 3.37Å; F626-W731 AromaticContact CD1-CD1 3.97Å; F626-W731 AromaticContact CD1-NE1 3.4Å; F626-W731 AromaticContact CD2-NE1 3.83Å; F626-W731 HydrophobicContact CE1-CZ2 4.33Å; F626-W731 AromaticContact CE1-NE1 3.39Å; F626-W731 AromaticContact CE2-NE1 3.8Å; F626-W731 AromaticContact CG-CD1 3.83Å; F626-W731 AromaticContact CG-NE1 3.63Å; F626-W731 AromaticContact CZ-NE1 3.59Å
627	Q	79.1	Confident	65.9	Low	109 Å²	109	81.3 Å²	81.3	51%	0.509	47%	0.471	S	S	.	.	B	Isolated β-bridge	trans	-75.4	146.2	173.4	-65.5	-178.3	11.8	0	0	110.4	E624 P629	E624-Q627 PolarHBondContact O-N 3.3Å; Q627-P629 WeakPolarHBondContact O-CD 3.08Å
628	D	64.9	Low	63.2	Low	50 Å²	50	85.5 Å²	85.5	27%	0.267	51%	0.508	S	S	.	.			trans	-74.8	119.9	-179.5	-169.3	-44.1	0	0	0	110.4	S630 A631	D628-S630 VanDerWaalsContact CG-OG 3.22Å; D628-S630 PolarHBondContact O-N 2.81Å; D628-S630 VanDerWaalsContact OD1-CB 3.28Å; D628-S630 WeakPolarHBondContact OD1-CB 3.49Å; D628-S630 PolarHBondContact OD1-N 3.14Å; D628-S630 PolarHBondContact OD1-OG 3.43Å; D628-A631 WeakPolarHBondContact O-CB 3.42Å; D628-A631 PolarHBondContact O-N 2.88Å
629	P	55.4	Low	60.4	Low	109 Å²	109	84 Å²	84	71%	0.708	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-59.2	-20.5	-178.8	-25.5	35.6	0	0	0	114.6	Q627 A631	Q627-P629 WeakPolarHBondContact O-CD 3.08Å; P629-A631 VanDerWaalsContact C-N 3.29Å; P629-A631 PolarHBondContact O-N 2.72Å
630	S	52.6	Low	57.8	Low	80 Å²	80	88.8 Å²	88.8	56%	0.559	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-70	-23.4	176.2	66.6	0	0	0	0	113.4	D628 L632 Q633	D628-S630 VanDerWaalsContact CG-OG 3.22Å; D628-S630 PolarHBondContact O-N 2.81Å; D628-S630 VanDerWaalsContact OD1-CB 3.28Å; D628-S630 WeakPolarHBondContact OD1-CB 3.49Å; D628-S630 PolarHBondContact OD1-N 3.14Å; D628-S630 PolarHBondContact OD1-OG 3.43Å; S630-L632 PolarHBondContact O-N 3.49Å; S630-L632 VanDerWaalsContact O-N 3.15Å; S630-Q633 PolarHBondContact O-N 3.47Å; S630-Q633 VanDerWaalsContact O-N 3.17Å
631	A	47.8	Very low	55.2	Low	64 Å²	64	97.1 Å²	97.1	53%	0.529	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-64.7	-19	-179	0	0	0	0	0	113.8	D628 P629	D628-A631 WeakPolarHBondContact O-CB 3.42Å; D628-A631 PolarHBondContact O-N 2.88Å; P629-A631 VanDerWaalsContact C-N 3.29Å; P629-A631 PolarHBondContact O-N 2.72Å
632	L	41.4	Very low	52.7	Low	157 Å²	157	104.9 Å²	104.9	82%	0.822	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-83.8	-8.9	178.6	-68.3	171.9	0	0	0	114	S630 A634	S630-L632 PolarHBondContact O-N 3.49Å; S630-L632 VanDerWaalsContact O-N 3.15Å; L632-A634 PolarHBondContact O-N 3.05Å
633	Q	38.8	Very low	50.5	Low	174 Å²	174	114.4 Å²	114.4	81%	0.813	65%	0.646	S	S	*	*			trans	-93.5	72.7	177	-68.1	-164.2	14.8	0	0	112.5	S630	S630-Q633 PolarHBondContact O-N 3.47Å; S630-Q633 VanDerWaalsContact O-N 3.17Å
634	A	30.6	Very low	48.1	Very low	65 Å²	65	123.8 Å²	123.8	54%	0.537	69%	0.686	S	S	.	*			trans	-65.6	125.6	166.4	0	0	0	0	0	110.7	L632 G636	L632-A634 PolarHBondContact O-N 3.05Å; A634-G636 PolarHBondContact O-N 3.23Å
635	P	43.6	Very low	45.9	Very low	141 Å²	141	124.2 Å²	124.2	92%	0.916	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	83	-179.4	30.7	-35	0	0	0	111.3
636	G	41.9	Very low	43.6	Very low	67 Å²	67	122 Å²	122	69%	0.691	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-172.6	-26.6	177.3	0	0	0	0	0	117.1	A634 A638	A634-G636 PolarHBondContact O-N 3.23Å; G636-A638 VanDerWaalsContact C-N 3.27Å; G636-A638 PolarHBondContact O-N 3.49Å
637	S	31.3	Very low	41.2	Very low	117 Å²	117	125.3 Å²	125.3	82%	0.818	71%	0.708	S	S	*	*			trans	-82.5	53.5	-168.6	-59.5	0	0	0	0	115.2	G639	S637-G639 PolarHBondContact O-N 3.18Å
638	A	34.8	Very low	39	Very low	102 Å²	102	125.3 Å²	125.3	84%	0.843	73%	0.726	S	S	*	*			trans	-77	67.9	174.2	0	0	0	0	0	112.3	G636	G636-A638 VanDerWaalsContact C-N 3.27Å; G636-A638 PolarHBondContact O-N 3.49Å
639	G	31.1	Very low	37.2	Very low	55 Å²	55	126.6 Å²	126.6	57%	0.567	75%	0.751	S	S	*	*			trans	-65.9	146.1	170.2	0	0	0	0	0	112	S637 Q641	S637-G639 PolarHBondContact O-N 3.18Å; G639-Q641 PolarHBondContact O-N 3.36Å
640	P	37.5	Very low	36.2	Very low	128 Å²	128	127.1 Å²	127.1	83%	0.831	76%	0.756	S	S	*	*			trans	-72.2	100.5	-169.2	28	-35.1	0	0	0	113	R642	P640-R642 PolarHBondContact O-N 3.32Å; P640-R642 VanDerWaalsContact O-N 3.1Å
641	Q	33.7	Very low	35.1	Very low	182 Å²	182	133 Å²	133	85%	0.85	77%	0.772	S	S	*	*			trans	-52	112.2	165	-87.3	-86.8	-33.3	0	0	110.5	G639 K643	G639-Q641 PolarHBondContact O-N 3.36Å; Q641-K643 PolarHBondContact O-N 3Å
642	R	33.4	Very low	34.3	Very low	238 Å²	238	133.8 Å²	133.8	90%	0.898	79%	0.787	S	S	*	*			trans	-66.2	115.1	171.2	-82.7	-177.8	166.5	178.2	-4.2	108.8	P640 K644	P640-R642 PolarHBondContact O-N 3.32Å; P640-R642 VanDerWaalsContact O-N 3.1Å; R642-K644 PolarHBondContact O-N 3.4Å
643	K	35.9	Very low	33.7	Very low	212 Å²	212	129.8 Å²	129.8	92%	0.922	78%	0.783	S	S	*	*			trans	-50.9	120.8	174.1	-68.6	180	177.4	179.2	0	110.8	Q641	Q641-K643 PolarHBondContact O-N 3Å
644	K	32.3	Very low	33.3	Very low	202 Å²	202	131.7 Å²	131.7	88%	0.878	79%	0.789	S	S	*	*			trans	-106.5	124	143.4	-160.8	176.9	-178.5	-173.2	0	107	R642	R642-K644 PolarHBondContact O-N 3.4Å
645	K	35.7	Very low	33.5	Very low	127 Å²	127	138.7 Å²	138.7	55%	0.552	81%	0.807	S	S	*	*			trans	-82.5	150.1	178.5	-176.2	-171.5	156.9	-74.5	0	108.5	D647	K645-D647 WeakPolarHBondContact CE-OD1 3.41Å; K645-D647 IonicContact NZ-OD1 3.36Å; K645-D647 PolarHBondContact NZ-OD1 2.96Å; K645-D647 IonicContact NZ-OD2 2.57Å; K645-D647 PolarHBondContact NZ-OD2 3.44Å
646	D	31.9	Very low	32.7	Very low	131 Å²	131	135.7 Å²	135.7	70%	0.701	79%	0.794	S	S	*	*				177.5	95.2	125.2	-80.9	-23.7	0	0	0	112.9
647	D	31.1	Very low	32.2	Very low	122 Å²	122	142.8 Å²	142.8	65%	0.652	81%	0.806	S	S	*	*			trans	53.2	158.8	134.5	-56.3	-6.7	0	0	0	123.8	K645	K645-D647 WeakPolarHBondContact CE-OD1 3.41Å; K645-D647 IonicContact NZ-OD1 3.36Å; K645-D647 PolarHBondContact NZ-OD1 2.96Å; K645-D647 IonicContact NZ-OD2 2.57Å; K645-D647 PolarHBondContact NZ-OD2 3.44Å
648	A	33.4	Very low	32.2	Very low	109 Å²	109	145 Å²	145	90%	0.901	80%	0.803	S	S	*	*			trans	66.3	122.2	-179	0	0	0	0	0	117.2
649	G	27.8	Very low	31.8	Very low	76 Å²	76	148 Å²	148	78%	0.784	80%	0.799	S	S	*	*			cis	129.9	105.2	-17.5	0	0	0	0	0	115.5
650	C	33.2	Very low	31.6	Very low	120 Å²	120	157.1 Å²	157.1	81%	0.811	82%	0.817	S	S	*	*			trans	-162.1	155.3	158.6	-101.2	0	0	0	0	112
651	F	30.7	Very low	31.1	Very low	204 Å²	204	160.4 Å²	160.4	90%	0.895	82%	0.819	S	S	*	*			trans	-7.3	136.7	166.6	-57.8	-100.9	0	0	0	118.1
652	G	29.7	Very low	30.9	Very low	81 Å²	81	158 Å²	158	84%	0.835	81%	0.812	S	S	*	*			cis	99.8	129.7	18.6	0	0	0	0	0	111.9
653	G	28.4	Very low	30.7	Very low	73 Å²	73	155 Å²	155	75%	0.753	81%	0.808	S	S	*	*			cis	171.5	172	-7.8	0	0	0	0	0	113.3
654	K	31.3	Very low	30.5	Very low	213 Å²	213	148.4 Å²	148.4	93%	0.926	80%	0.801	S	S	*	*			trans	84.3	110.6	170.8	-57	175.9	-179.6	172	0	120.8
655	K	34.1	Very low	30.5	Very low	213 Å²	213	150.2 Å²	150.2	93%	0.926	80%	0.802	S	S	*	*			trans	53.4	109.5	137.5	-73.1	-173.6	171.2	-177.4	0	122.7
656	A	26.7	Very low	30.2	Very low	77 Å²	77	151.5 Å²	151.5	64%	0.636	81%	0.807	S	S	*	*				-161.8	126.4	117.2	0	0	0	0	0	106.5
657	K	33.3	Very low	30.1	Very low	217 Å²	217	153.5 Å²	153.5	94%	0.943	82%	0.818	S	S	*	*				61.3	26.5	54.7	-143.1	-146.8	171.4	-173.2	0	116.7
658	E	30	Very low	30.1	Very low	163 Å²	163	150.9 Å²	150.9	76%	0.762	82%	0.82	S	S	*	*			trans	-143.8	-6.2	171.3	-150.4	148.7	-135.5	0	0	116.7	W660	E658-W660 PolarHBondContact O-N 3.08Å
659	E	26	Very low	29.8	Very low	164 Å²	164	152.8 Å²	152.8	77%	0.766	81%	0.81	S	S	*	*	G	3₁₀ helix	trans	-78.6	-12.9	-171.6	-64	-172.1	121.7	0	0	116.2	F661 N662	E659-F661 PolarHBondContact O-N 3.22Å; E659-F661 VanDerWaalsContact O-N 3.11Å; E659-N662 PolarHBondContact O-N 3.18Å
660	W	28.5	Very low	29.9	Very low	248 Å²	248	155.9 Å²	155.9	94%	0.939	81%	0.809	S	S	*	*	G	3₁₀ helix	trans	-71.9	-3.1	-176.6	-116.3	67.7	0	0	0	115	E658	E658-W660 PolarHBondContact O-N 3.08Å
661	F	26.6	Very low	30	Very low	196 Å²	196	156 Å²	156	86%	0.86	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-108.8	-7	-179.2	-115.5	-93.1	0	0	0	115.1	E659	E659-F661 PolarHBondContact O-N 3.22Å; E659-F661 VanDerWaalsContact O-N 3.11Å
662	N	28.3	Very low	30.4	Very low	132 Å²	132	154.3 Å²	154.3	71%	0.706	79%	0.794	S	S	*	*			trans	-108.9	-1	-173.7	-85.3	-47.6	0	0	0	115.8	E659 G664	E659-N662 PolarHBondContact O-N 3.18Å; N662-G664 PolarHBondContact O-N 2.81Å
663	Q	29.9	Very low	30.8	Very low	174 Å²	174	155 Å²	155	81%	0.813	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-68.4	-1.5	175.7	-71.7	-172.8	-17.4	0	0	114.5	R665	Q663-R665 VanDerWaalsContact C-N 3.33Å; Q663-R665 PolarHBondContact O-N 3.23Å
664	G	31.1	Very low	31.5	Very low	75 Å²	75	155.7 Å²	155.7	77%	0.773	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-77.8	-2.4	176	0	0	0	0	0	116.3	N662	N662-G664 PolarHBondContact O-N 2.81Å
665	R	32.8	Very low	32	Very low	240 Å²	240	149.5 Å²	149.5	91%	0.906	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-137.9	29.8	-173.8	-72.6	-165.7	173.9	-160.2	-1.2	116.6	Q663	Q663-R665 VanDerWaalsContact C-N 3.33Å; Q663-R665 PolarHBondContact O-N 3.23Å
666	K	30	Very low	32.6	Very low	153 Å²	153	143.6 Å²	143.6	67%	0.665	72%	0.718	S	S	*	*			trans	-126.5	83.3	163.8	-88.4	-150.2	166.4	-143.2	0	112.2	E669	K666-E669 WeakPolarHBondContact CE-OE2 3.47Å; K666-E669 IonicContact NZ-OE1 2.7Å; K666-E669 PolarHBondContact NZ-OE1 3.17Å; K666-E669 IonicContact NZ-OE2 3.56Å; K666-E669 PolarHBondContact NZ-OE2 2.92Å
667	N	29.3	Very low	33.9	Very low	173 Å²	173	142 Å²	142	93%	0.925	70%	0.698	S	S	*	*			trans	-136.7	35.8	170.6	-119.2	-0.8	0	0	0	110.9
668	G	31.6	Very low	34.9	Very low	68 Å²	68	136.6 Å²	136.6	70%	0.701	68%	0.68	S	S	*	*			trans	-125.9	6.4	-170.2	0	0	0	0	0	116.2
669	E	27.3	Very low	36.3	Very low	148 Å²	148	132.2 Å²	132.2	69%	0.692	66%	0.661	S	S	*	*	S	Bend	trans	-117	18.3	-174.8	-69.9	168.9	132.8	0	0	112.9	K666	K666-E669 WeakPolarHBondContact CE-OE2 3.47Å; K666-E669 IonicContact NZ-OE1 2.7Å; K666-E669 PolarHBondContact NZ-OE1 3.17Å; K666-E669 IonicContact NZ-OE2 3.56Å; K666-E669 PolarHBondContact NZ-OE2 2.92Å
670	N	30.1	Very low	38	Very low	142 Å²	142	127.2 Å²	127.2	76%	0.759	64%	0.643	S	S	*	*			trans	-121.4	12.2	178	-117.2	-7.3	0	0	0	113.6	K672	N670-K672 PolarHBondContact O-N 3.16Å
671	D	33.6	Very low	39.2	Very low	123 Å²	123	124.4 Å²	124.4	66%	0.658	64%	0.638	S	S	*	*			trans	-77.7	67.1	171.6	-160.2	5.3	0	0	0	110.3	N673 R775	D671-N673 PolarHBondContact O-N 3.27Å; D671-R775 IonicContact OD1-CZ 2.72Å; D671-R775 IonicContact OD1-NH2 2.92Å; D671-R775 PolarHBondContact OD1-NH2 3.2Å; D671-R775 IonicContact OD2-NH2 2.68Å
672	K	40.1	Very low	40.9	Very low	167 Å²	167	120.1 Å²	120.1	73%	0.726	62%	0.616	S	S	*	*			trans	-72.1	67.2	173.5	-75.4	-172.4	176.4	-179.9	0	110.7	N670 Y674	N670-K672 PolarHBondContact O-N 3.16Å; K672-Y674 WeakPolarHBondContact O-CD2 3.48Å; K672-Y674 PolarHBondContact O-N 2.9Å
673	N	38.6	Very low	42.4	Very low	96 Å²	96	120.6 Å²	120.6	51%	0.513	62%	0.624	S	S	.	*			trans	38.9	53.9	155.2	-165.2	5.7	0	0	0	116.3	D671 D675 T676	D671-N673 PolarHBondContact O-N 3.27Å; N673-D675 PolarHBondContact O-N 3.3Å; N673-D675 VanDerWaalsContact O-N 3.1Å; N673-T676 PolarHBondContact ND2-OG1 3.07Å; N673-T676 CarbonylContact O-C 3.6Å; N673-T676 PolarHBondContact O-N 2.71Å; N673-T676 PolarHBondContact OD1-N 3.4Å; N673-T676 PolarHBondContact OD1-OG1 2.89Å
674	Y	42.1	Very low	44.2	Very low	88 Å²	88	119.1 Å²	119.1	35%	0.345	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-67.3	-5.3	177.4	-96.8	-99.7	0	0	0	114.3	K672 L677 N733	K672-Y674 WeakPolarHBondContact O-CD2 3.48Å; K672-Y674 PolarHBondContact O-N 2.9Å; Y674-L677 HydrophobicContact CD1-CD1 3.55Å; Y674-L677 HydrophobicContact CD1-CG 4.07Å; Y674-L677 HydrophobicContact CE1-CD1 3.95Å; Y674-L677 HydrophobicContact CG-CD1 4.45Å; Y674-N733 HydrophobicContact CE1-CB 4.42Å
675	D	41.8	Very low	46.6	Very low	82 Å²	82	120.3 Å²	120.3	44%	0.439	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-86.2	-31.6	174.4	-75	-30.3	0	0	0	113.1	N673 L677 R740 K741 R775	N673-D675 PolarHBondContact O-N 3.3Å; N673-D675 VanDerWaalsContact O-N 3.1Å; D675-L677 VanDerWaalsContact C-N 3.28Å; D675-L677 PolarHBondContact O-N 2.7Å; D675-R740 IonicContact OD1-NH2 3.67Å; D675-K741 WeakPolarHBondContact O-CE 3.29Å; D675-K741 PolarHBondContact O-NZ 3.1Å; D675-R775 IonicContact OD1-NH1 2.76Å; D675-R775 PolarHBondContact OD1-NH1 2.89Å; D675-R775 IonicContact OD2-CZ 2.71Å; D675-R775 IonicContact OD2-NH1 3.56Å; D675-R775 PolarHBondContact OD2-NH1 2.83Å
676	T	46.5	Very low	49.1	Very low	89 Å²	89	110.1 Å²	110.1	55%	0.546	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-98.4	48.8	162.8	23.2	0	0	0	0	111.4	N673 D678	N673-T676 PolarHBondContact ND2-OG1 3.07Å; N673-T676 CarbonylContact O-C 3.6Å; N673-T676 PolarHBondContact O-N 2.71Å; N673-T676 PolarHBondContact OD1-N 3.4Å; N673-T676 PolarHBondContact OD1-OG1 2.89Å; T676-D678 PolarHBondContact O-N 2.89Å
677	L	53.6	Low	51.8	Low	44 Å²	44	108.1 Å²	108.1	23%	0.23	57%	0.568	C	S	.	*			trans	-62.2	81.4	145.1	-84	-174.4	0	0	0	109.1	Y674 D675 Y734	Y674-L677 HydrophobicContact CD1-CD1 3.55Å; Y674-L677 HydrophobicContact CD1-CG 4.07Å; Y674-L677 HydrophobicContact CE1-CD1 3.95Å; Y674-L677 HydrophobicContact CG-CD1 4.45Å; D675-L677 VanDerWaalsContact C-N 3.28Å; D675-L677 PolarHBondContact O-N 2.7Å; L677-Y734 HydrophobicContact CB-CD1 4.11Å; L677-Y734 HydrophobicContact CB-CE1 3.82Å; L677-Y734 HydrophobicContact CD1-CD1 3.99Å; L677-Y734 HydrophobicContact CD1-CE1 4.11Å; L677-Y734 HydrophobicContact CD2-CE1 3.94Å; L677-Y734 HydrophobicContact CG-CD1 4.48Å; L677-Y734 HydrophobicContact CG-CE1 4.18Å
678	D	54.7	Low	54.7	Low	103 Å²	103	100.8 Å²	100.8	55%	0.551	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-55.6	137.9	156.6	-82	2	0	0	0	108	T676 Y734	T676-D678 PolarHBondContact O-N 2.89Å; D678-Y734 WeakPolarHBondContact O-CE1 3.37Å; D678-Y734 PolarHBondContact O-OH 3.05Å
679	L	60.6	Low	57.7	Low	72 Å²	72	99.8 Å²	99.8	38%	0.377	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-61.2	147.4	169.4	-78.6	73.7	0	0	0	108.5	K681 P695	L679-K681 PolarHBondContact O-N 3.03Å; L679-K681 VanDerWaalsContact O-N 3.11Å; L679-P695 HydrophobicContact CD1-CG 4.49Å; L679-P695 HydrophobicContact CD2-CB 4.5Å; L679-P695 HydrophobicContact CD2-CG 3.89Å; L679-P695 HydrophobicContact CG-CG 4.17Å
680	P	61.1	Low	60.8	Low	59 Å²	59	94.9 Å²	94.9	38%	0.383	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-56.6	123.1	176.2	-20.3	33.1	0	0	0	108.8	R682 Y734	P680-R682 VanDerWaalsContact C-N 3.35Å; P680-R682 WeakPolarHBondContact O-CG 3.27Å; P680-R682 PolarHBondContact O-N 2.98Å; P680-Y734 WeakPolarHBondContact CD-OH 3.32Å; P680-Y734 HydrophobicContact CG-CE2 3.99Å; P680-Y734 WeakPolarHBondContact CG-OH 3.24Å
681	K	54.6	Low	63.9	Low	189 Å²	189	89.9 Å²	89.9	82%	0.822	46%	0.46	S	S	*	.			trans	-66.6	93	-177.3	-67.3	-175.9	-180	-179.9	0	109.6	L679	L679-K681 PolarHBondContact O-N 3.03Å; L679-K681 VanDerWaalsContact O-N 3.11Å
682	R	61.5	Low	66.9	Low	105 Å²	105	84 Å²	84	40%	0.396	43%	0.428	S	S	.	.			trans	-74.3	142.7	178.7	-53.2	-165.7	70.5	161.5	2.8	110	P680 E684 S686 E690	P680-R682 VanDerWaalsContact C-N 3.35Å; P680-R682 WeakPolarHBondContact O-CG 3.27Å; P680-R682 PolarHBondContact O-N 2.98Å; R682-E684 VanDerWaalsContact C-N 3.35Å; R682-E684 VanDerWaalsContact CB-O 3.29Å; R682-E684 WeakPolarHBondContact CB-O 3.39Å; R682-S686 PolarHBondContact NH1-OG 2.68Å; R682-E690 IonicContact CZ-OE2 3.25Å; R682-E690 IonicContact NH1-OE2 2.7Å; R682-E690 PolarHBondContact NH1-OE2 3.34Å; R682-E690 IonicContact NH2-OE1 2.73Å; R682-E690 PolarHBondContact NH2-OE1 2.91Å; R682-E690 IonicContact NH2-OE2 3.85Å; R682-E690 PolarHBondContact NH2-OE2 2.71Å
683	T	59.6	Low	69.4	Low	143 Å²	143	76.3 Å²	76.3	88%	0.877	40%	0.395	S	S	*	.	S	Bend	trans	-81	-18.5	170.6	47.2	0	0	0	0	112.8
684	E	68.7	Low	72	Confident	142 Å²	142	72.3 Å²	72.3	66%	0.664	37%	0.373	S	S	*	.	S	Bend	trans	-131.9	145.8	-176.3	-67.4	173.8	-170.8	0	0	109.8	R682	R682-E684 VanDerWaalsContact C-N 3.35Å; R682-E684 VanDerWaalsContact CB-O 3.29Å; R682-E684 WeakPolarHBondContact CB-O 3.39Å
685	P	79.9	Confident	74.3	Confident	101 Å²	101	68.3 Å²	68.3	66%	0.656	36%	0.357	S	S	*	.			trans	-69.7	140.2	175.9	29.9	-34.6	0	0	0	111.1	K687	P685-K687 PolarHBondContact O-N 2.76Å
686	S	85.2	Confident	76.7	Confident	26 Å²	26	68.7 Å²	68.7	18%	0.182	36%	0.357	C	S	.	.			trans	-60.3	131.1	172.1	-49.7	0	0	0	0	110.2	R682 L691 Q694	R682-S686 PolarHBondContact NH1-OG 2.68Å; S686-L691 VanDerWaalsContact O-CD2 3.31Å; S686-L691 WeakPolarHBondContact O-CD2 3.4Å; S686-Q694 PolarHBondContact OG-OE1 2.96Å
687	K	87.8	Confident	79	Confident	111 Å²	111	64.9 Å²	64.9	48%	0.483	33%	0.333	S	S	.	.			trans	-133.6	160.9	177	-66.2	-166.1	176.9	-164.6	0	110.9	E537 P685 E690	E537-K687 IonicContact OE1-NZ 2.81Å; P685-K687 PolarHBondContact O-N 2.76Å; K687-E690 PolarHBondContact O-N 3.4Å
688	G	90.9	Very high	81.1	Confident	19 Å²	19	62.8 Å²	62.8	20%	0.196	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	59.7	-139.3	175.8	0	0	0	0	0	113.4	V581 D582 E690 L691	V581-G688 WeakPolarHBondContact CG1-O 3.39Å; D582-G688 PolarHBondContact OD1-N 3.41Å; D582-G688 WeakPolarHBondContact OD2-CA 3.19Å; G688-E690 PolarHBondContact O-N 2.7Å; G688-E690 VanDerWaalsContact O-N 3.07Å; G688-L691 VanDerWaalsContact O-CB 3.28Å; G688-L691 WeakPolarHBondContact O-CB 3.47Å; G688-L691 WeakPolarHBondContact O-CG 3.35Å; G688-L691 PolarHBondContact O-N 2.81Å; G688-L691 VanDerWaalsContact O-N 3.08Å
689	F	93.1	Very high	83.1	Confident	46 Å²	46	63.5 Å²	63.5	20%	0.202	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-61.6	-16.4	-178.8	69.2	-95.9	0	0	0	115.1	R575 V620 L691 L692 Y693	R575-F689 HydrophobicContact CB-CB 3.58Å; R575-F689 HydrophobicContact CB-CD1 4.5Å; R575-F689 HydrophobicContact CB-CG 4.16Å; R575-F689 HydrophobicContact CG-CB 3.82Å; R575-F689 WeakPolarHBondContact O-CB 3.2Å; R575-F689 WeakPolarHBondContact O-CD1 3.27Å; V620-F689 HydrophobicContact CB-CD2 4.27Å; V620-F689 HydrophobicContact CB-CE2 3.98Å; V620-F689 HydrophobicContact CG1-CD2 3.86Å; V620-F689 HydrophobicContact CG1-CE2 4.1Å; F689-L691 PolarHBondContact O-N 2.8Å; F689-L692 HydrophobicContact CB-CD1 4.25Å; F689-L692 WeakPolarHBondContact O-CB 3.49Å; F689-L692 WeakPolarHBondContact O-CG 3.49Å; F689-L692 PolarHBondContact O-N 3.16Å; F689-Y693 HydrophobicContact CD2-CE1 4.41Å
690	E	93.7	Very high	84.9	Confident	45 Å²	45	60.6 Å²	60.6	21%	0.21	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-64	-31.4	175	-60.5	-159.2	145.8	0	0	112	R682 K687 G688 L692 Y693 Q694	R682-E690 IonicContact CZ-OE2 3.25Å; R682-E690 IonicContact NH1-OE2 2.7Å; R682-E690 PolarHBondContact NH1-OE2 3.34Å; R682-E690 IonicContact NH2-OE1 2.73Å; R682-E690 PolarHBondContact NH2-OE1 2.91Å; R682-E690 IonicContact NH2-OE2 3.85Å; R682-E690 PolarHBondContact NH2-OE2 2.71Å; K687-E690 PolarHBondContact O-N 3.4Å; G688-E690 PolarHBondContact O-N 2.7Å; G688-E690 VanDerWaalsContact O-N 3.07Å; E690-L692 PolarHBondContact O-N 3.38Å; E690-Y693 HydrophobicContact CB-CE1 4.45Å; E690-Y693 WeakPolarHBondContact CG-OH 3.43Å; E690-Y693 PolarHBondContact O-N 3.39Å; E690-Q694 WeakPolarHBondContact O-CG 3.1Å; E690-Q694 PolarHBondContact O-NE2 2.71Å
691	L	94.6	Very high	86.7	Confident	38 Å²	38	57.8 Å²	57.8	20%	0.199	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-56.3	-31.8	177.6	-63.7	172.1	0	0	0	112.4	V581 D582 L585 S686 G688 F689 Y693 Q694 V697	V581-L691 HydrophobicContact CG1-CB 4.25Å; D582-L691 HydrophobicContact CB-CD1 4.27Å; D582-L691 WeakPolarHBondContact OD1-CD1 3.48Å; L585-L691 HydrophobicContact CD1-CB 3.4Å; L585-L691 HydrophobicContact CD1-CD1 3.88Å; L585-L691 HydrophobicContact CD1-CG 4.22Å; S686-L691 VanDerWaalsContact O-CD2 3.31Å; S686-L691 WeakPolarHBondContact O-CD2 3.4Å; G688-L691 VanDerWaalsContact O-CB 3.28Å; G688-L691 WeakPolarHBondContact O-CB 3.47Å; G688-L691 WeakPolarHBondContact O-CG 3.35Å; G688-L691 PolarHBondContact O-N 2.81Å; G688-L691 VanDerWaalsContact O-N 3.08Å; F689-L691 PolarHBondContact O-N 2.8Å; L691-Y693 PolarHBondContact O-N 2.8Å; L691-Y693 VanDerWaalsContact O-N 3.12Å; L691-Q694 PolarHBondContact O-N 2.8Å; L691-V697 WeakPolarHBondContact O-CG1 3.36Å
692	L	95.6	Very high	88.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-55	-33	-178	-64.9	175.9	0	0	0	113.6	R575 V581 M609 L612 F689 E690 L724	R575-L692 HydrophobicContact CG-CD1 3.72Å; V581-L692 HydrophobicContact CG1-CD2 3.73Å; V581-L692 HydrophobicContact CG1-CG 3.95Å; M609-L692 HydrophobicContact CE-CD2 3.4Å; M609-L692 HydrophobicContact SD-CD2 4.01Å; L612-L692 HydrophobicContact CB-CD1 3.79Å; L612-L692 HydrophobicContact CB-CD2 4.29Å; F689-L692 HydrophobicContact CB-CD1 4.25Å; F689-L692 WeakPolarHBondContact O-CB 3.49Å; F689-L692 WeakPolarHBondContact O-CG 3.49Å; F689-L692 PolarHBondContact O-N 3.16Å; E690-L692 PolarHBondContact O-N 3.38Å; L692-L724 VanDerWaalsContact O-CD1 3.22Å; L692-L724 WeakPolarHBondContact O-CD1 3.49Å; L692-L724 WeakPolarHBondContact O-CD2 3.5Å
693	Y	93.6	Very high	90.5	Very high	5 Å²	5	46 Å²	46	2%	0.02	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-116.6	10.5	-173.3	57.9	-101.1	0	0	0	113.8	V616 V620 F689 E690 L691 W729 W731	V616-Y693 HydrophobicContact CG2-CD1 3.82Å; V616-Y693 HydrophobicContact CG2-CE1 4.44Å; V620-Y693 HydrophobicContact CG1-CE1 4.47Å; V620-Y693 HydrophobicContact CG2-CE1 4.45Å; F689-Y693 HydrophobicContact CD2-CE1 4.41Å; E690-Y693 HydrophobicContact CB-CE1 4.45Å; E690-Y693 WeakPolarHBondContact CG-OH 3.43Å; E690-Y693 PolarHBondContact O-N 3.39Å; L691-Y693 PolarHBondContact O-N 2.8Å; L691-Y693 VanDerWaalsContact O-N 3.12Å; Y693-W729 AromaticContact CD1-CH2 3.96Å; Y693-W729 HydrophobicContact CD1-CH2 3.96Å; Y693-W729 HydrophobicContact CD2-CH2 4.06Å; Y693-W729 HydrophobicContact CE1-CH2 4.39Å; Y693-W729 HydrophobicContact CE2-CH2 4.49Å; Y693-W729 AromaticContact CG-CH2 3.76Å; Y693-W729 HydrophobicContact CG-CH2 3.76Å; Y693-W729 HydrophobicContact CG-CZ2 4.3Å; Y693-W731 HydrophobicContact CD2-CB 4.04Å; Y693-W731 AromaticContact CD2-CD1 3.71Å; Y693-W731 AromaticContact CD2-CD2 3.54Å; Y693-W731 HydrophobicContact CD2-CD2 3.54Å; Y693-W731 AromaticContact CD2-CE2 3.81Å; Y693-W731 HydrophobicContact CD2-CE3 4.07Å; Y693-W731 AromaticContact CD2-CG 3.5Å; Y693-W731 HydrophobicContact CD2-CG 3.5Å; Y693-W731 VanDerWaalsContact CD2-CG 3.5Å; Y693-W731 AromaticContact CD2-NE1 3.89Å; Y693-W731 AromaticContact CE2-CD1 3.76Å; Y693-W731 AromaticContact CE2-CD2 3.89Å; Y693-W731 HydrophobicContact CE2-CD2 3.89Å; Y693-W731 AromaticContact CE2-CE2 3.62Å; Y693-W731 AromaticContact CE2-CG 3.99Å; Y693-W731 HydrophobicContact CE2-CG 3.99Å; Y693-W731 HydrophobicContact CE2-CZ2 4.13Å; Y693-W731 AromaticContact CE2-NE1 3.54Å; Y693-W731 HydrophobicContact CG-CG 4.42Å
694	Q	92.3	Very high	92.4	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.056	20%	0.199	C	C	.	.	S	Bend	trans	-74.6	141.3	171.1	-53.3	-54.8	-76.6	0	0	110.2	S686 E690 L691 E696 V697	S686-Q694 PolarHBondContact OG-OE1 2.96Å; E690-Q694 WeakPolarHBondContact O-CG 3.1Å; E690-Q694 PolarHBondContact O-NE2 2.71Å; L691-Q694 PolarHBondContact O-N 2.8Å; Q694-E696 WeakPolarHBondContact CB-OE2 3.38Å; Q694-E696 PolarHBondContact O-N 3.08Å; Q694-V697 WeakPolarHBondContact O-CG2 3.16Å; Q694-V697 PolarHBondContact O-N 3.07Å
695	P	91.9	Very high	93.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.019	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-28.2	179.4	-33.2	40.4	0	0	0	115.9	L679 V697 V698 T738	L679-P695 HydrophobicContact CD1-CG 4.49Å; L679-P695 HydrophobicContact CD2-CB 4.5Å; L679-P695 HydrophobicContact CD2-CG 3.89Å; L679-P695 HydrophobicContact CG-CG 4.17Å; P695-V697 VanDerWaalsContact C-N 3.28Å; P695-V697 PolarHBondContact O-N 3.03Å; P695-V698 VanDerWaalsContact O-CB 3.25Å; P695-V698 WeakPolarHBondContact O-CB 3.48Å; P695-V698 WeakPolarHBondContact O-CG2 3.3Å; P695-V698 PolarHBondContact O-N 3.19Å; P695-V698 VanDerWaalsContact O-N 3.1Å; P695-T738 HydrophobicContact CB-CG2 4.17Å
696	E	91.3	Very high	94.6	Very high	91 Å²	91	32 Å²	32	43%	0.425	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.4	-175.8	-72.1	56.7	-128.8	0	0	112.8	Q694 V698 R699	Q694-E696 WeakPolarHBondContact CB-OE2 3.38Å; Q694-E696 PolarHBondContact O-N 3.08Å; E696-V698 PolarHBondContact O-N 2.89Å; E696-R699 PolarHBondContact O-N 3.41Å
697	V	95.8	Very high	95.1	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.048	17%	0.171	C	C	.	.	H	α-helix	trans	-66.8	-18.5	179.1	-51.4	0	0	0	0	112.9	L585 L691 Q694 P695 R699 L700 Y701 L724	L585-V697 HydrophobicContact CD1-CG1 4.46Å; L585-V697 HydrophobicContact CD2-CG1 3.94Å; L691-V697 WeakPolarHBondContact O-CG1 3.36Å; Q694-V697 WeakPolarHBondContact O-CG2 3.16Å; Q694-V697 PolarHBondContact O-N 3.07Å; P695-V697 VanDerWaalsContact C-N 3.28Å; P695-V697 PolarHBondContact O-N 3.03Å; V697-R699 VanDerWaalsContact C-N 3.28Å; V697-R699 PolarHBondContact O-N 2.96Å; V697-L700 WeakPolarHBondContact O-CB 3.02Å; V697-L700 PolarHBondContact O-N 3.02Å; V697-Y701 HydrophobicContact CB-CD2 4.34Å; V697-Y701 HydrophobicContact CB-CE2 3.88Å; V697-Y701 HydrophobicContact CG2-CD2 4.11Å; V697-Y701 HydrophobicContact CG2-CE2 3.57Å; V697-Y701 WeakPolarHBondContact O-CD2 3.21Å; V697-Y701 PolarHBondContact O-N 3.28Å; V697-L724 HydrophobicContact CG2-CD1 3.79Å
698	V	97.6	Very high	95.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.9	-40.6	175.5	174.6	0	0	0	0	110.7	P695 E696 L700 Y701 L702 L721 I735 T738 V739	P695-V698 VanDerWaalsContact O-CB 3.25Å; P695-V698 WeakPolarHBondContact O-CB 3.48Å; P695-V698 WeakPolarHBondContact O-CG2 3.3Å; P695-V698 PolarHBondContact O-N 3.19Å; P695-V698 VanDerWaalsContact O-N 3.1Å; E696-V698 PolarHBondContact O-N 2.89Å; V698-L700 PolarHBondContact O-N 2.96Å; V698-Y701 PolarHBondContact O-N 2.7Å; V698-L702 HydrophobicContact CG1-CD1 3.72Å; V698-L702 HydrophobicContact CG1-CG 4.13Å; V698-L702 WeakPolarHBondContact O-CB 3.37Å; V698-L702 VanDerWaalsContact O-CG 3.26Å; V698-L702 WeakPolarHBondContact O-CG 3.48Å; V698-L702 PolarHBondContact O-N 3.34Å; V698-L721 HydrophobicContact CG1-CD2 4.46Å; V698-L721 HydrophobicContact CG2-CD2 4.27Å; V698-I735 HydrophobicContact CG2-CD1 3.63Å; V698-I735 HydrophobicContact CG2-CG2 4.24Å; V698-T738 HydrophobicContact CB-CG2 3.93Å; V698-T738 HydrophobicContact CG1-CG2 4.09Å; V698-T738 HydrophobicContact CG2-CG2 4.09Å; V698-V739 HydrophobicContact CG1-CB 4.35Å; V698-V739 HydrophobicContact CG1-CG2 3.56Å; V698-V739 HydrophobicContact CG2-CG2 4.13Å
699	R	96.8	Very high	95.8	Very high	118 Å²	118	36.3 Å²	36.3	45%	0.445	18%	0.178	S	C	.	.	H	α-helix	trans	-63.1	-44.2	178.4	-63.2	-172	-174.5	101.3	12.1	111.4	E696 V697 Y701 L702 S703 E742	E696-R699 PolarHBondContact O-N 3.41Å; V697-R699 VanDerWaalsContact C-N 3.28Å; V697-R699 PolarHBondContact O-N 2.96Å; R699-Y701 PolarHBondContact O-N 3.39Å; R699-L702 PolarHBondContact O-N 3Å; R699-S703 PolarHBondContact O-N 3.13Å; R699-S703 PolarHBondContact O-OG 2.94Å; R699-E742 WeakPolarHBondContact CD-OE2 3.3Å; R699-E742 HydrophobicContact CG-CG 4.14Å; R699-E742 WeakPolarHBondContact CG-OE2 3.1Å; R699-E742 IonicContact CZ-OE1 3.99Å; R699-E742 IonicContact CZ-OE2 3.63Å; R699-E742 IonicContact NE-OE1 3.77Å; R699-E742 PolarHBondContact NE-OE1 3.09Å; R699-E742 IonicContact NE-OE2 3.94Å; R699-E742 PolarHBondContact NE-OE2 2.82Å; R699-E742 IonicContact NH2-OE1 2.7Å; R699-E742 PolarHBondContact NH2-OE1 2.83Å; R699-E742 IonicContact NH2-OE2 2.7Å
700	L	97.8	Very high	96	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.063	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-50.3	177.1	178.9	65.6	0	0	0	111.6	L585 L588 Q589 V592 V697 V698 L702 S703 L704	L585-L700 HydrophobicContact CD2-CD2 3.64Å; L588-L700 HydrophobicContact CB-CD1 4.01Å; L588-L700 HydrophobicContact CB-CD2 3.84Å; L588-L700 HydrophobicContact CB-CG 4.38Å; L588-L700 HydrophobicContact CD1-CD2 4.28Å; Q589-L700 HydrophobicContact CG-CD1 4.09Å; Q589-L700 HydrophobicContact CG-CD2 4.48Å; V592-L700 HydrophobicContact CG2-CD1 3.87Å; V697-L700 WeakPolarHBondContact O-CB 3.02Å; V697-L700 PolarHBondContact O-N 3.02Å; V698-L700 PolarHBondContact O-N 2.96Å; L700-L702 PolarHBondContact O-N 3.02Å; L700-S703 PolarHBondContact O-N 3.21Å; L700-L704 HydrophobicContact CD1-CD1 4.47Å; L700-L704 HydrophobicContact CG-CD1 4.25Å; L700-L704 WeakPolarHBondContact O-CG 3.48Å; L700-L704 PolarHBondContact O-N 2.89Å; L700-L704 VanDerWaalsContact O-N 3.09Å
701	Y	98.6	Very high	96.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.6	-34.9	178	-60.9	-50.6	0	0	0	112.7	V606 M609 V697 V698 R699 L704 L705 A717 A720 L721 L724	V606-Y701 HydrophobicContact CG1-CE1 4.42Å; M609-Y701 HydrophobicContact CB-CE1 4.5Å; V697-Y701 HydrophobicContact CB-CD2 4.34Å; V697-Y701 HydrophobicContact CB-CE2 3.88Å; V697-Y701 HydrophobicContact CG2-CD2 4.11Å; V697-Y701 HydrophobicContact CG2-CE2 3.57Å; V697-Y701 WeakPolarHBondContact O-CD2 3.21Å; V697-Y701 PolarHBondContact O-N 3.28Å; V698-Y701 PolarHBondContact O-N 2.7Å; R699-Y701 PolarHBondContact O-N 3.39Å; Y701-L704 HydrophobicContact CD1-CD1 4.35Å; Y701-L704 PolarHBondContact O-N 3.1Å; Y701-L705 WeakPolarHBondContact O-CB 3.21Å; Y701-L705 WeakPolarHBondContact O-CD1 3.5Å; Y701-L705 WeakPolarHBondContact O-CG 3.45Å; Y701-L705 PolarHBondContact O-N 3.42Å; Y701-A717 HydrophobicContact CD1-CB 4.23Å; Y701-A720 HydrophobicContact CD1-CB 4.08Å; Y701-A720 HydrophobicContact CD2-CB 4.24Å; Y701-A720 HydrophobicContact CE1-CB 3.68Å; Y701-A720 HydrophobicContact CE2-CB 3.84Å; Y701-A720 HydrophobicContact CG-CB 4.36Å; Y701-L721 HydrophobicContact CD2-CD2 3.84Å; Y701-L721 HydrophobicContact CD2-CG 4.26Å; Y701-L721 HydrophobicContact CG-CD2 4.39Å; Y701-L721 HydrophobicContact CG-CG 4.42Å; Y701-L724 HydrophobicContact CE2-CD1 3.79Å
702	L	98.4	Very high	96.2	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-70.6	-37.1	176.8	-70.1	178.5	0	0	0	112.8	V698 R699 L700 L705 T706 L721 E742 G744 I747	V698-L702 HydrophobicContact CG1-CD1 3.72Å; V698-L702 HydrophobicContact CG1-CG 4.13Å; V698-L702 WeakPolarHBondContact O-CB 3.37Å; V698-L702 VanDerWaalsContact O-CG 3.26Å; V698-L702 WeakPolarHBondContact O-CG 3.48Å; V698-L702 PolarHBondContact O-N 3.34Å; R699-L702 PolarHBondContact O-N 3Å; L700-L702 PolarHBondContact O-N 3.02Å; L702-L705 HydrophobicContact CD2-CD1 4.3Å; L702-L705 PolarHBondContact O-N 3.22Å; L702-T706 WeakPolarHBondContact O-CB 3.3Å; L702-T706 PolarHBondContact O-N 2.84Å; L702-T706 PolarHBondContact O-OG1 3.44Å; L702-L721 HydrophobicContact CD2-CD1 4.01Å; L702-E742 HydrophobicContact CD1-CB 3.75Å; L702-G744 VanDerWaalsContact CD2-CA 3.43Å; L702-I747 HydrophobicContact CB-CD1 4.43Å; L702-I747 HydrophobicContact CD2-CD1 4.33Å
703	S	98.2	Very high	96.4	Very high	38 Å²	38	39.7 Å²	39.7	27%	0.266	19%	0.192	S	C	.	.	H	α-helix	trans	-61.3	-48.1	170.7	-71.1	0	0	0	0	111.3	R699 L700 L705 T706 E707	R699-S703 PolarHBondContact O-N 3.13Å; R699-S703 PolarHBondContact O-OG 2.94Å; L700-S703 PolarHBondContact O-N 3.21Å; S703-L705 VanDerWaalsContact C-N 3.3Å; S703-L705 PolarHBondContact O-N 2.86Å; S703-T706 PolarHBondContact O-N 3.32Å; S703-E707 PolarHBondContact O-N 2.95Å
704	L	98.2	Very high	96.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.3	-42.5	174.7	-70.3	164.3	0	0	0	111.8	V592 M597 V602 V606 L700 Y701 T706 S708 T713 L714 A717	V592-L704 HydrophobicContact CG2-CD2 3.98Å; V592-L704 HydrophobicContact CG2-CG 4.01Å; M597-L704 HydrophobicContact CB-CD2 3.94Å; M597-L704 HydrophobicContact CG-CD2 3.81Å; M597-L704 HydrophobicContact SD-CD2 4.34Å; V602-L704 HydrophobicContact CG1-CD2 4.09Å; V606-L704 HydrophobicContact CG2-CD1 3.7Å; L700-L704 HydrophobicContact CD1-CD1 4.47Å; L700-L704 HydrophobicContact CG-CD1 4.25Å; L700-L704 WeakPolarHBondContact O-CG 3.48Å; L700-L704 PolarHBondContact O-N 2.89Å; L700-L704 VanDerWaalsContact O-N 3.09Å; Y701-L704 HydrophobicContact CD1-CD1 4.35Å; Y701-L704 PolarHBondContact O-N 3.1Å; L704-T706 VanDerWaalsContact C-N 3.26Å; L704-T706 PolarHBondContact O-N 3.02Å; L704-S708 WeakPolarHBondContact O-CB 3.47Å; L704-S708 PolarHBondContact O-N 3.36Å; L704-S708 VanDerWaalsContact O-N 3.17Å; L704-T713 HydrophobicContact CD2-CG2 4.14Å; L704-L714 WeakPolarHBondContact O-CD2 3.36Å; L704-A717 HydrophobicContact CB-CB 4.23Å
705	L	98.4	Very high	96.9	Very high	5 Å²	5	41 Å²	41	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-70.5	-16.3	177.4	-73.2	164.8	0	0	0	114.6	Y701 L702 S703 L714 A717 A718 L721 I747 L748 L751	Y701-L705 WeakPolarHBondContact O-CB 3.21Å; Y701-L705 WeakPolarHBondContact O-CD1 3.5Å; Y701-L705 WeakPolarHBondContact O-CG 3.45Å; Y701-L705 PolarHBondContact O-N 3.42Å; L702-L705 HydrophobicContact CD2-CD1 4.3Å; L702-L705 PolarHBondContact O-N 3.22Å; S703-L705 VanDerWaalsContact C-N 3.3Å; S703-L705 PolarHBondContact O-N 2.86Å; L705-L714 HydrophobicContact CD2-CD2 4.22Å; L705-L714 WeakPolarHBondContact CD2-O 3.5Å; L705-A717 HydrophobicContact CD1-CB 4.29Å; L705-A717 HydrophobicContact CD2-CB 3.98Å; L705-A717 HydrophobicContact CG-CB 3.78Å; L705-A718 HydrophobicContact CD2-CB 4.01Å; L705-L721 HydrophobicContact CD1-CD1 3.64Å; L705-I747 HydrophobicContact CB-CG2 3.93Å; L705-L748 HydrophobicContact CD1-CD2 4.13Å; L705-L751 HydrophobicContact CB-CD1 4.01Å; L705-L751 HydrophobicContact CD2-CD1 3.5Å; L705-L751 HydrophobicContact CG-CD1 4.3Å
706	T	97.3	Very high	97.2	Very high	85 Å²	85	40.9 Å²	40.9	52%	0.521	20%	0.198	S	C	.	.	H	α-helix	trans	-98.8	-34.5	-178.8	-54	0	0	0	0	112.2	L702 S703 L704 I747	L702-T706 WeakPolarHBondContact O-CB 3.3Å; L702-T706 PolarHBondContact O-N 2.84Å; L702-T706 PolarHBondContact O-OG1 3.44Å; S703-T706 PolarHBondContact O-N 3.32Å; L704-T706 VanDerWaalsContact C-N 3.26Å; L704-T706 PolarHBondContact O-N 3.02Å; T706-I747 WeakPolarHBondContact OG1-CD1 3.27Å
707	E	95.6	Very high	97.6	Very high	77 Å²	77	36.5 Å²	36.5	36%	0.36	18%	0.177	S	C	.	.	H	α-helix	trans	-115.3	-13.3	-167.9	-58	-166.1	-142.6	0	0	115.1	K595 M597 S703	K595-E707 VanDerWaalsContact NZ-CD 3.35Å; K595-E707 IonicContact NZ-OE1 2.84Å; K595-E707 PolarHBondContact NZ-OE1 2.78Å; K595-E707 IonicContact NZ-OE2 2.69Å; K595-E707 PolarHBondContact NZ-OE2 2.79Å; M597-E707 HydrophobicContact CE-CB 3.3Å; M597-E707 HydrophobicContact CE-CG 4.44Å; M597-E707 HydrophobicContact SD-CB 3.83Å; S703-E707 PolarHBondContact O-N 2.95Å
708	S	96.9	Very high	97.7	Very high	10 Å²	10	36.1 Å²	36.1	7%	0.07	18%	0.175	C	C	.	.			trans	-83.7	139.3	177.7	-178.8	0	0	0	0	112.1	D598 L704 N710 T713	D598-S708 WeakPolarHBondContact OD1-CA 3.35Å; D598-S708 WeakPolarHBondContact OD1-CB 3.48Å; D598-S708 PolarHBondContact OD1-OG 3.48Å; L704-S708 WeakPolarHBondContact O-CB 3.47Å; L704-S708 PolarHBondContact O-N 3.36Å; L704-S708 VanDerWaalsContact O-N 3.17Å; S708-N710 PolarHBondContact OG-N 3.07Å; S708-T713 WeakPolarHBondContact OG-CB 3.27Å; S708-T713 WeakPolarHBondContact OG-CG2 3.48Å
709	Q	95.8	Very high	97.8	Very high	161 Å²	161	36.1 Å²	36.1	75%	0.752	18%	0.175	S	C	*	.			trans	-98.4	-16.6	173.1	-54.4	-174.8	16.6	0	0	112.7	D598 Y711	D598-Q709 VanDerWaalsContact CG-N 3.31Å; D598-Q709 PolarHBondContact OD1-N 2.72Å; D598-Q709 WeakPolarHBondContact OD2-CB 3.14Å; D598-Q709 PolarHBondContact OD2-N 2.7Å; Q709-Y711 PolarHBondContact O-N 2.97Å
710	N	96.8	Very high	97.8	Very high	31 Å²	31	30.5 Å²	30.5	17%	0.166	15%	0.154	C	C	.	.			trans	-72.9	106.8	177.7	-178.2	-7.5	0	0	0	111.2	D598 E603 S708 N712 T713 L714	D598-N710 HydrophobicContact CB-CB 4.25Å; D598-N710 WeakPolarHBondContact OD1-CB 3.45Å; D598-N710 PolarHBondContact OD1-N 3.47Å; E603-N710 PolarHBondContact OE2-ND2 2.89Å; S708-N710 PolarHBondContact OG-N 3.07Å; N710-N712 PolarHBondContact O-N 3.01Å; N710-N712 WeakPolarHBondContact OD1-CB 3.28Å; N710-N712 PolarHBondContact OD1-N 2.92Å; N710-N712 PolarHBondContact OD1-ND2 2.92Å; N710-T713 WeakPolarHBondContact O-CA 3.32Å; N710-T713 WeakPolarHBondContact O-CB 3.44Å; N710-T713 PolarHBondContact O-N 2.91Å; N710-L714 PolarHBondContact O-N 3.18Å
711	Y	96.9	Very high	97.9	Very high	110 Å²	110	30 Å²	30	43%	0.431	15%	0.151	S	C	.	.	H	α-helix	trans	-51.5	-28.8	177.2	-62.1	-54.2	0	0	0	114.8	Q709 L714 E715 V759	Q709-Y711 PolarHBondContact O-N 2.97Å; Y711-L714 HydrophobicContact CD1-CD1 4.24Å; Y711-E715 WeakPolarHBondContact O-CB 3.36Å; Y711-E715 PolarHBondContact O-N 3.39Å; Y711-V759 HydrophobicContact CD1-CG2 4.21Å; Y711-V759 WeakPolarHBondContact O-CG2 3.49Å
712	N	97.5	Very high	97.8	Very high	59 Å²	59	31.4 Å²	31.4	32%	0.316	16%	0.157	S	C	.	.	H	α-helix	trans	-74	-35.7	176.8	-54.8	-85.6	0	0	0	111.7	E603 N710 A716	E603-N712 HydrophobicContact CG-CB 3.59Å; N710-N712 PolarHBondContact O-N 3.01Å; N710-N712 WeakPolarHBondContact OD1-CB 3.28Å; N710-N712 PolarHBondContact OD1-N 2.92Å; N710-N712 PolarHBondContact OD1-ND2 2.92Å; N712-A716 WeakPolarHBondContact O-CB 3.3Å; N712-A716 PolarHBondContact O-N 3.19Å
713	T	98.3	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.4	-42.7	172.6	-59.6	0	0	0	0	110.2	V602 V606 L704 S708 N710 A716 A717	V602-T713 HydrophobicContact CG1-CG2 4.38Å; V606-T713 HydrophobicContact CG2-CG2 4.26Å; L704-T713 HydrophobicContact CD2-CG2 4.14Å; S708-T713 WeakPolarHBondContact OG-CB 3.27Å; S708-T713 WeakPolarHBondContact OG-CG2 3.48Å; N710-T713 WeakPolarHBondContact O-CA 3.32Å; N710-T713 WeakPolarHBondContact O-CB 3.44Å; N710-T713 PolarHBondContact O-N 2.91Å; T713-A716 PolarHBondContact O-N 2.87Å; T713-A717 WeakPolarHBondContact O-CB 3.34Å; T713-A717 PolarHBondContact O-N 3.25Å
714	L	98.5	Very high	97.7	Very high	9 Å²	9	29.7 Å²	29.7	5%	0.047	15%	0.145	C	C	.	.	H	α-helix	trans	-62.3	-47.9	174.8	-62.9	176.4	0	0	0	112.2	L704 L705 N710 Y711 A716 A717 A718 L751 V759	L704-L714 WeakPolarHBondContact O-CD2 3.36Å; L705-L714 HydrophobicContact CD2-CD2 4.22Å; L705-L714 WeakPolarHBondContact CD2-O 3.5Å; N710-L714 PolarHBondContact O-N 3.18Å; Y711-L714 HydrophobicContact CD1-CD1 4.24Å; L714-A716 VanDerWaalsContact C-N 3.3Å; L714-A716 PolarHBondContact O-N 3.49Å; L714-A717 PolarHBondContact O-N 3.01Å; L714-A718 WeakPolarHBondContact O-CB 3.37Å; L714-A718 PolarHBondContact O-N 3.45Å; L714-L751 HydrophobicContact CD1-CD2 4.29Å; L714-V759 HydrophobicContact CB-CG1 4.32Å; L714-V759 HydrophobicContact CB-CG2 3.98Å
715	E	98.4	Very high	97.6	Very high	35 Å²	35	29.7 Å²	29.7	16%	0.164	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-42.8	174.2	-169.1	-145.7	139.6	0	0	111	R610 Y711 G719 K758 V759 A762	R610-E715 IonicContact CZ-OE1 3.81Å; R610-E715 IonicContact NH1-OE1 3.76Å; R610-E715 PolarHBondContact NH1-OE1 2.93Å; R610-E715 IonicContact NH2-OE1 3.38Å; R610-E715 PolarHBondContact NH2-OE1 2.85Å; Y711-E715 WeakPolarHBondContact O-CB 3.36Å; Y711-E715 PolarHBondContact O-N 3.39Å; E715-G719 PolarHBondContact O-N 2.67Å; E715-K758 HydrophobicContact CG-CB 3.99Å; E715-K758 WeakPolarHBondContact OE2-CD 3.45Å; E715-V759 HydrophobicContact CB-CG2 4.36Å; E715-A762 HydrophobicContact CG-CB 4.11Å
716	A	98.6	Very high	97.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.2	-43	-178.7	0	0	0	0	0	112.5	V606 C607 N712 T713 L714 G719 A720	V606-A716 HydrophobicContact CB-CB 3.96Å; V606-A716 HydrophobicContact CG1-CB 3.55Å; C607-A716 VanDerWaalsContact SG-CB 3.59Å; N712-A716 WeakPolarHBondContact O-CB 3.3Å; N712-A716 PolarHBondContact O-N 3.19Å; T713-A716 PolarHBondContact O-N 2.87Å; L714-A716 VanDerWaalsContact C-N 3.3Å; L714-A716 PolarHBondContact O-N 3.49Å; A716-G719 PolarHBondContact O-N 3.09Å; A716-A720 WeakPolarHBondContact O-CB 3.47Å; A716-A720 PolarHBondContact O-N 3.34Å
717	A	98.8	Very high	96.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-69.5	-42.3	178.4	0	0	0	0	0	112	V606 Y701 L704 L705 T713 L714 G719 A720 L721	V606-A717 HydrophobicContact CG1-CB 4.04Å; Y701-A717 HydrophobicContact CD1-CB 4.23Å; L704-A717 HydrophobicContact CB-CB 4.23Å; L705-A717 HydrophobicContact CD1-CB 4.29Å; L705-A717 HydrophobicContact CD2-CB 3.98Å; L705-A717 HydrophobicContact CG-CB 3.78Å; T713-A717 WeakPolarHBondContact O-CB 3.34Å; T713-A717 PolarHBondContact O-N 3.25Å; L714-A717 PolarHBondContact O-N 3.01Å; A717-G719 VanDerWaalsContact C-N 3.33Å; A717-G719 PolarHBondContact O-N 2.69Å; A717-A720 PolarHBondContact O-N 2.75Å; A717-L721 PolarHBondContact O-N 3.37Å; A717-L721 VanDerWaalsContact O-N 3.08Å
718	A	98.7	Very high	96.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-41.8	172.7	0	0	0	0	0	111.1	L705 L714 A720 L721 Q722 A762 V763	L705-A718 HydrophobicContact CD2-CB 4.01Å; L714-A718 WeakPolarHBondContact O-CB 3.37Å; L714-A718 PolarHBondContact O-N 3.45Å; A718-A720 VanDerWaalsContact C-N 3.34Å; A718-A720 PolarHBondContact O-N 3.3Å; A718-L721 PolarHBondContact O-N 3.38Å; A718-Q722 WeakPolarHBondContact O-CB 3.41Å; A718-Q722 PolarHBondContact O-N 2.64Å; A718-A762 HydrophobicContact CB-CB 3.89Å; A718-V763 HydrophobicContact CB-CG2 3.9Å
719	G	98.4	Very high	95.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-30.5	174.8	0	0	0	0	0	114.1	E715 A716 A717 Q722 N723	E715-G719 PolarHBondContact O-N 2.67Å; A716-G719 PolarHBondContact O-N 3.09Å; A717-G719 VanDerWaalsContact C-N 3.33Å; A717-G719 PolarHBondContact O-N 2.69Å; G719-Q722 WeakPolarHBondContact O-CB 3.29Å; G719-N723 WeakPolarHBondContact O-CB 3.44Å; G719-N723 PolarHBondContact O-N 3.35Å; G719-N723 PolarHBondContact O-ND2 3.46Å
720	A	98.7	Very high	95.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.8	-47.5	171.6	0	0	0	0	0	110.9	R610 Y701 A716 A717 A718 Q722 N723 L724	R610-A720 HydrophobicContact CB-CB 4.24Å; Y701-A720 HydrophobicContact CD1-CB 4.08Å; Y701-A720 HydrophobicContact CD2-CB 4.24Å; Y701-A720 HydrophobicContact CE1-CB 3.68Å; Y701-A720 HydrophobicContact CE2-CB 3.84Å; Y701-A720 HydrophobicContact CG-CB 4.36Å; A716-A720 WeakPolarHBondContact O-CB 3.47Å; A716-A720 PolarHBondContact O-N 3.34Å; A717-A720 PolarHBondContact O-N 2.75Å; A718-A720 VanDerWaalsContact C-N 3.34Å; A718-A720 PolarHBondContact O-N 3.3Å; A720-Q722 VanDerWaalsContact C-N 3.33Å; A720-Q722 PolarHBondContact O-N 2.88Å; A720-N723 PolarHBondContact O-N 3.32Å; A720-N723 VanDerWaalsContact O-N 3.17Å; A720-L724 WeakPolarHBondContact O-CG 3.3Å; A720-L724 PolarHBondContact O-N 3.33Å
721	L	98.4	Very high	95.4	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-38.1	174	-68.2	179.8	0	0	0	112.4	V698 Y701 L702 L705 A717 A718 L724 S725 V739	V698-L721 HydrophobicContact CG1-CD2 4.46Å; V698-L721 HydrophobicContact CG2-CD2 4.27Å; Y701-L721 HydrophobicContact CD2-CD2 3.84Å; Y701-L721 HydrophobicContact CD2-CG 4.26Å; Y701-L721 HydrophobicContact CG-CD2 4.39Å; Y701-L721 HydrophobicContact CG-CG 4.42Å; L702-L721 HydrophobicContact CD2-CD1 4.01Å; L705-L721 HydrophobicContact CD1-CD1 3.64Å; A717-L721 PolarHBondContact O-N 3.37Å; A717-L721 VanDerWaalsContact O-N 3.08Å; A718-L721 PolarHBondContact O-N 3.38Å; L721-L724 PolarHBondContact O-N 2.93Å; L721-S725 VanDerWaalsContact O-CB 3.29Å; L721-S725 WeakPolarHBondContact O-CB 3.38Å; L721-S725 PolarHBondContact O-N 2.97Å; L721-S725 PolarHBondContact O-OG 3.2Å; L721-V739 HydrophobicContact CD2-CG2 4.11Å
722	Q	97.9	Very high	95.3	Very high	29 Å²	29	13.8 Å²	13.8	14%	0.136	7%	0.071	C	C	.	.	H	α-helix	trans	-55.6	-49.9	171	175.4	-169.4	-17.2	0	0	111.2	A718 G719 A720 S725 A726 I765 A766 N769	A718-Q722 WeakPolarHBondContact O-CB 3.41Å; A718-Q722 PolarHBondContact O-N 2.64Å; G719-Q722 WeakPolarHBondContact O-CB 3.29Å; A720-Q722 VanDerWaalsContact C-N 3.33Å; A720-Q722 PolarHBondContact O-N 2.88Å; Q722-S725 PolarHBondContact O-OG 3.19Å; Q722-A726 PolarHBondContact O-N 3.27Å; Q722-I765 HydrophobicContact CG-CB 4.13Å; Q722-I765 HydrophobicContact CG-CG2 3.84Å; Q722-A766 HydrophobicContact CB-CB 4.07Å; Q722-N769 PolarHBondContact O-ND2 3.24Å
723	N	97.8	Very high	95.1	Very high	9 Å²	9	12.1 Å²	12.1	5%	0.048	6%	0.062	C	C	.	.	H	α-helix	trans	-68	-40.5	-178.2	-73.7	-13.5	0	0	0	112.5	R610 G719 A720 A726	R610-N723 PolarHBondContact O-ND2 3.15Å; G719-N723 WeakPolarHBondContact O-CB 3.44Å; G719-N723 PolarHBondContact O-N 3.35Å; G719-N723 PolarHBondContact O-ND2 3.46Å; A720-N723 PolarHBondContact O-N 3.32Å; A720-N723 VanDerWaalsContact O-N 3.17Å; N723-A726 WeakPolarHBondContact O-CB 3.43Å; N723-A726 PolarHBondContact O-N 3.06Å
724	L	96.8	Very high	94.8	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-76.4	-25.2	-179	-64.6	175.6	0	0	0	113.8	V616 L692 V697 Y701 A720 L721 S732 I735	V616-L724 HydrophobicContact CG1-CD2 4Å; L692-L724 VanDerWaalsContact O-CD1 3.22Å; L692-L724 WeakPolarHBondContact O-CD1 3.49Å; L692-L724 WeakPolarHBondContact O-CD2 3.5Å; V697-L724 HydrophobicContact CG2-CD1 3.79Å; Y701-L724 HydrophobicContact CE2-CD1 3.79Å; A720-L724 WeakPolarHBondContact O-CG 3.3Å; A720-L724 PolarHBondContact O-N 3.33Å; L721-L724 PolarHBondContact O-N 2.93Å; L724-S732 WeakPolarHBondContact O-CB 3.36Å; L724-S732 PolarHBondContact O-OG 3.31Å; L724-I735 HydrophobicContact CB-CG1 4.33Å; L724-I735 HydrophobicContact CB-CG2 4.06Å
725	S	96.1	Very high	94.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.7	172.6	57.7	0	0	0	0	113.8	L721 Q722 R736 N769	L721-S725 VanDerWaalsContact O-CB 3.29Å; L721-S725 WeakPolarHBondContact O-CB 3.38Å; L721-S725 PolarHBondContact O-N 2.97Å; L721-S725 PolarHBondContact O-OG 3.2Å; Q722-S725 PolarHBondContact O-OG 3.19Å; S725-R736 PolarHBondContact O-NH1 2.86Å; S725-N769 WeakPolarHBondContact OG-CB 3.46Å
726	A	91.2	Very high	94.6	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.008	6%	0.057	C	C	.	.			trans	-84	140.7	-180	0	0	0	0	0	113.2	H617 Q722 N723 S732 L906	H617-A726 PolarHBondContact CE1-O 3.32Å; H617-A726 PolarHBondContact ND1-O 3.36Å; Q722-A726 PolarHBondContact O-N 3.27Å; N723-A726 WeakPolarHBondContact O-CB 3.43Å; N723-A726 PolarHBondContact O-N 3.06Å; A726-S732 PolarHBondContact O-OG 2.68Å; A726-S732 VanDerWaalsContact O-OG 3.06Å; A726-L906 HydrophobicContact CB-CB 4.36Å; A726-L906 HydrophobicContact CB-CD1 3.97Å; A726-L906 HydrophobicContact CB-CG 4.34Å
727	G	83.4	Confident	94.5	Very high	2 Å²	2	11.4 Å²	11.4	2%	0.021	6%	0.058	C	C	.	.	S	Bend	trans	98	173	176.8	0	0	0	0	0	113.9	R736	G727-R736 PolarHBondContact O-NH1 2.69Å; G727-R736 PolarHBondContact O-NH2 2.9Å
728	Q	85.6	Confident	94.4	Very high	83 Å²	83	12.1 Å²	12.1	39%	0.388	6%	0.062	S	C	.	.	S	Bend	trans	-119.9	73.8	-174.5	-165.5	64.6	2.8	0	0	111.2
729	W	90.5	Very high	94.3	Very high	5 Å²	5	12.1 Å²	12.1	2%	0.019	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-143.9	162.3	179.5	74.8	-39.7	0	0	0	109.7	V616 H617 V620 F626 Y693 W731 S732 N733	V616-W729 HydrophobicContact CG1-CH2 4.31Å; V616-W729 HydrophobicContact CG1-CZ2 3.95Å; H617-W729 HydrophobicContact CB-CD2 3.53Å; H617-W729 HydrophobicContact CB-CE3 4.12Å; H617-W729 HydrophobicContact CB-CG 3.8Å; H617-W729 HydrophobicContact CB-CH2 4.4Å; H617-W729 HydrophobicContact CB-CZ2 3.81Å; V620-W729 HydrophobicContact CG2-CZ3 4.38Å; F626-W729 HydrophobicContact CB-CE3 3.96Å; F626-W729 HydrophobicContact CD2-CE3 4.5Å; F626-W729 HydrophobicContact CD2-CZ3 4.47Å; F626-W729 CarbonylContact O-C 3.58Å; F626-W729 WeakPolarHBondContact O-CA 3.16Å; F626-W729 WeakPolarHBondContact O-CB 3.41Å; Y693-W729 AromaticContact CD1-CH2 3.96Å; Y693-W729 HydrophobicContact CD1-CH2 3.96Å; Y693-W729 HydrophobicContact CD2-CH2 4.06Å; Y693-W729 HydrophobicContact CE1-CH2 4.39Å; Y693-W729 HydrophobicContact CE2-CH2 4.49Å; Y693-W729 AromaticContact CG-CH2 3.76Å; Y693-W729 HydrophobicContact CG-CH2 3.76Å; Y693-W729 HydrophobicContact CG-CZ2 4.3Å; W729-W731 VanDerWaalsContact C-N 3.31Å; W729-W731 HydrophobicContact CD2-CB 4.16Å; W729-W731 HydrophobicContact CE3-CB 4.46Å; W729-W731 AromaticContact CE3-CD1 3.88Å; W729-W731 HydrophobicContact CH2-CB 3.98Å; W729-W731 AromaticContact CH2-CD1 3.91Å; W729-W731 HydrophobicContact CH2-CG 4.23Å; W729-W731 HydrophobicContact CZ2-CB 3.65Å; W729-W731 HydrophobicContact CZ2-CG 4.39Å; W729-W731 HydrophobicContact CZ3-CB 4.38Å; W729-W731 AromaticContact CZ3-CD1 3.63Å; W729-W731 HydrophobicContact CZ3-CG 4.35Å; W729-W731 PolarHBondContact O-N 3.2Å; W729-S732 VanDerWaalsContact CD1-OG 3.25Å; W729-S732 PolarHBondContact NE1-OG 2.84Å; W729-S732 PolarHBondContact O-N 3.27Å; W729-N733 PolarHBondContact O-N 2.96Å
730	T	90.7	Very high	94.2	Very high	50 Å²	50	13.9 Å²	13.9	31%	0.307	7%	0.069	S	C	.	.	H	α-helix	trans	-58.7	-40.1	-169	-22.7	0	0	0	0	112.7	F626 S732 N733 Y734	F626-T730 PolarHBondContact O-N 2.89Å; F626-T730 PolarHBondContact O-OG1 3.37Å; T730-S732 PolarHBondContact O-N 3.22Å; T730-N733 WeakPolarHBondContact O-CB 3.4Å; T730-N733 PolarHBondContact O-N 3.29Å; T730-N733 VanDerWaalsContact O-N 3.1Å; T730-Y734 HydrophobicContact CG2-CD2 4.16Å; T730-Y734 HydrophobicContact CG2-CE2 3.54Å; T730-Y734 WeakPolarHBondContact O-CD2 3.48Å; T730-Y734 PolarHBondContact O-N 2.77Å
731	W	92.7	Very high	94	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.019	9%	0.09	C	C	.	.	H	α-helix	trans	-66.8	-37.7	-177.6	-63.8	106.1	0	0	0	113.1	F626 Y693 W729 N733 Y734 I735	F626-W731 AromaticContact CD1-CD1 3.97Å; F626-W731 AromaticContact CD1-NE1 3.4Å; F626-W731 AromaticContact CD2-NE1 3.83Å; F626-W731 HydrophobicContact CE1-CZ2 4.33Å; F626-W731 AromaticContact CE1-NE1 3.39Å; F626-W731 AromaticContact CE2-NE1 3.8Å; F626-W731 AromaticContact CG-CD1 3.83Å; F626-W731 AromaticContact CG-NE1 3.63Å; F626-W731 AromaticContact CZ-NE1 3.59Å; Y693-W731 HydrophobicContact CD2-CB 4.04Å; Y693-W731 AromaticContact CD2-CD1 3.71Å; Y693-W731 AromaticContact CD2-CD2 3.54Å; Y693-W731 HydrophobicContact CD2-CD2 3.54Å; Y693-W731 AromaticContact CD2-CE2 3.81Å; Y693-W731 HydrophobicContact CD2-CE3 4.07Å; Y693-W731 AromaticContact CD2-CG 3.5Å; Y693-W731 HydrophobicContact CD2-CG 3.5Å; Y693-W731 VanDerWaalsContact CD2-CG 3.5Å; Y693-W731 AromaticContact CD2-NE1 3.89Å; Y693-W731 AromaticContact CE2-CD1 3.76Å; Y693-W731 AromaticContact CE2-CD2 3.89Å; Y693-W731 HydrophobicContact CE2-CD2 3.89Å; Y693-W731 AromaticContact CE2-CE2 3.62Å; Y693-W731 AromaticContact CE2-CG 3.99Å; Y693-W731 HydrophobicContact CE2-CG 3.99Å; Y693-W731 HydrophobicContact CE2-CZ2 4.13Å; Y693-W731 AromaticContact CE2-NE1 3.54Å; Y693-W731 HydrophobicContact CG-CG 4.42Å; W729-W731 VanDerWaalsContact C-N 3.31Å; W729-W731 HydrophobicContact CD2-CB 4.16Å; W729-W731 HydrophobicContact CE3-CB 4.46Å; W729-W731 AromaticContact CE3-CD1 3.88Å; W729-W731 HydrophobicContact CH2-CB 3.98Å; W729-W731 AromaticContact CH2-CD1 3.91Å; W729-W731 HydrophobicContact CH2-CG 4.23Å; W729-W731 HydrophobicContact CZ2-CB 3.65Å; W729-W731 HydrophobicContact CZ2-CG 4.39Å; W729-W731 HydrophobicContact CZ3-CB 4.38Å; W729-W731 AromaticContact CZ3-CD1 3.63Å; W729-W731 HydrophobicContact CZ3-CG 4.35Å; W729-W731 PolarHBondContact O-N 3.2Å; W731-N733 VanDerWaalsContact C-N 3.31Å; W731-N733 PolarHBondContact O-N 2.94Å; W731-Y734 HydrophobicContact CE3-CD2 4.12Å; W731-Y734 PolarHBondContact O-N 3.13Å; W731-I735 VanDerWaalsContact O-CG1 3.29Å; W731-I735 WeakPolarHBondContact O-CG1 3.38Å; W731-I735 PolarHBondContact O-N 3.45Å
732	S	94.2	Very high	93.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.4	-29.2	171.1	-67.4	0	0	0	0	113	L724 A726 W729 T730 R736	L724-S732 WeakPolarHBondContact O-CB 3.36Å; L724-S732 PolarHBondContact O-OG 3.31Å; A726-S732 PolarHBondContact O-OG 2.68Å; A726-S732 VanDerWaalsContact O-OG 3.06Å; W729-S732 VanDerWaalsContact CD1-OG 3.25Å; W729-S732 PolarHBondContact NE1-OG 2.84Å; W729-S732 PolarHBondContact O-N 3.27Å; T730-S732 PolarHBondContact O-N 3.22Å; S732-R736 VanDerWaalsContact O-CB 3.27Å; S732-R736 WeakPolarHBondContact O-CB 3.49Å; S732-R736 WeakPolarHBondContact O-CG 3.44Å; S732-R736 PolarHBondContact O-N 3.17Å; S732-R736 PolarHBondContact O-NE 3.19Å
733	N	92.9	Very high	93.8	Very high	23 Å²	23	28 Å²	28	12%	0.123	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-46	170.2	-72.5	-22	0	0	0	111.2	Y674 W729 T730 W731 R736 A737	Y674-N733 HydrophobicContact CE1-CB 4.42Å; W729-N733 PolarHBondContact O-N 2.96Å; T730-N733 WeakPolarHBondContact O-CB 3.4Å; T730-N733 PolarHBondContact O-N 3.29Å; T730-N733 VanDerWaalsContact O-N 3.1Å; W731-N733 VanDerWaalsContact C-N 3.31Å; W731-N733 PolarHBondContact O-N 2.94Å; N733-R736 PolarHBondContact O-N 2.97Å; N733-R736 PolarHBondContact OD1-NH2 3.31Å; N733-A737 WeakPolarHBondContact O-CB 3.21Å; N733-A737 PolarHBondContact O-N 3.37Å
734	Y	93.4	Very high	93.7	Very high	24 Å²	24	27.6 Å²	27.6	9%	0.094	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-48.2	174.3	-69	-66.7	0	0	0	111.9	L677 D678 P680 T730 W731 R736 A737 T738	L677-Y734 HydrophobicContact CB-CD1 4.11Å; L677-Y734 HydrophobicContact CB-CE1 3.82Å; L677-Y734 HydrophobicContact CD1-CD1 3.99Å; L677-Y734 HydrophobicContact CD1-CE1 4.11Å; L677-Y734 HydrophobicContact CD2-CE1 3.94Å; L677-Y734 HydrophobicContact CG-CD1 4.48Å; L677-Y734 HydrophobicContact CG-CE1 4.18Å; D678-Y734 WeakPolarHBondContact O-CE1 3.37Å; D678-Y734 PolarHBondContact O-OH 3.05Å; P680-Y734 WeakPolarHBondContact CD-OH 3.32Å; P680-Y734 HydrophobicContact CG-CE2 3.99Å; P680-Y734 WeakPolarHBondContact CG-OH 3.24Å; T730-Y734 HydrophobicContact CG2-CD2 4.16Å; T730-Y734 HydrophobicContact CG2-CE2 3.54Å; T730-Y734 WeakPolarHBondContact O-CD2 3.48Å; T730-Y734 PolarHBondContact O-N 2.77Å; W731-Y734 HydrophobicContact CE3-CD2 4.12Å; W731-Y734 PolarHBondContact O-N 3.13Å; Y734-R736 PolarHBondContact O-N 3.05Å; Y734-A737 PolarHBondContact O-N 3.23Å; Y734-T738 WeakPolarHBondContact O-CB 3.48Å; Y734-T738 PolarHBondContact O-N 3.33Å; Y734-T738 PolarHBondContact O-OG1 3.4Å
735	I	96.3	Very high	93.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-59.3	-46.7	177.7	-66.3	-72.4	0	0	0	111.4	V698 L724 W731 A737 T738 V739	V698-I735 HydrophobicContact CG2-CD1 3.63Å; V698-I735 HydrophobicContact CG2-CG2 4.24Å; L724-I735 HydrophobicContact CB-CG1 4.33Å; L724-I735 HydrophobicContact CB-CG2 4.06Å; W731-I735 VanDerWaalsContact O-CG1 3.29Å; W731-I735 WeakPolarHBondContact O-CG1 3.38Å; W731-I735 PolarHBondContact O-N 3.45Å; I735-A737 VanDerWaalsContact C-N 3.31Å; I735-A737 PolarHBondContact O-N 3.38Å; I735-T738 PolarHBondContact O-N 3.46Å; I735-V739 HydrophobicContact CG2-CG2 4.44Å; I735-V739 WeakPolarHBondContact O-CG2 3.25Å; I735-V739 PolarHBondContact O-N 3.46Å
736	R	96.5	Very high	93.8	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-37.1	178.2	-72.7	-175.7	-68.2	-121.7	14.1	112.3	S725 G727 S732 N733 Y734 N769 L770 D773 N776	S725-R736 PolarHBondContact O-NH1 2.86Å; G727-R736 PolarHBondContact O-NH1 2.69Å; G727-R736 PolarHBondContact O-NH2 2.9Å; S732-R736 VanDerWaalsContact O-CB 3.27Å; S732-R736 WeakPolarHBondContact O-CB 3.49Å; S732-R736 WeakPolarHBondContact O-CG 3.44Å; S732-R736 PolarHBondContact O-N 3.17Å; S732-R736 PolarHBondContact O-NE 3.19Å; N733-R736 PolarHBondContact O-N 2.97Å; N733-R736 PolarHBondContact OD1-NH2 3.31Å; Y734-R736 PolarHBondContact O-N 3.05Å; R736-N769 WeakPolarHBondContact CD-O 3.4Å; R736-L770 HydrophobicContact CG-CD2 4.27Å; R736-D773 HydrophobicContact CB-CB 4.11Å; R736-N776 PolarHBondContact O-ND2 3.47Å
737	A	95.1	Very high	94.1	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-74.2	-38	174.8	0	0	0	0	0	112.9	N733 Y734 I735 R740 K741	N733-A737 WeakPolarHBondContact O-CB 3.21Å; N733-A737 PolarHBondContact O-N 3.37Å; Y734-A737 PolarHBondContact O-N 3.23Å; I735-A737 VanDerWaalsContact C-N 3.31Å; I735-A737 PolarHBondContact O-N 3.38Å; A737-R740 WeakPolarHBondContact O-CB 3.5Å; A737-R740 PolarHBondContact O-N 2.88Å; A737-K741 WeakPolarHBondContact O-CG 3.38Å; A737-K741 PolarHBondContact O-N 2.95Å
738	T	96.4	Very high	94.9	Very high	16 Å²	16	32.5 Å²	32.5	10%	0.098	16%	0.158	C	C	.	.	H	α-helix	trans	-70	-40.8	-179.7	-62.8	0	0	0	0	112	P695 V698 Y734 I735 R740 K741 E742	P695-T738 HydrophobicContact CB-CG2 4.17Å; V698-T738 HydrophobicContact CB-CG2 3.93Å; V698-T738 HydrophobicContact CG1-CG2 4.09Å; V698-T738 HydrophobicContact CG2-CG2 4.09Å; Y734-T738 WeakPolarHBondContact O-CB 3.48Å; Y734-T738 PolarHBondContact O-N 3.33Å; Y734-T738 PolarHBondContact O-OG1 3.4Å; I735-T738 PolarHBondContact O-N 3.46Å; T738-R740 PolarHBondContact O-N 3.13Å; T738-R740 VanDerWaalsContact O-N 3.17Å; T738-K741 PolarHBondContact O-N 3.3Å; T738-E742 HydrophobicContact CG2-CG 3.74Å; T738-E742 WeakPolarHBondContact O-CB 3.19Å; T738-E742 WeakPolarHBondContact O-CG 3.39Å; T738-E742 PolarHBondContact O-N 3.21Å
739	V	97.5	Very high	95.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.5	-32	173.2	172.8	0	0	0	0	111.8	V698 L721 I735 G744 L745 L748 L770	V698-V739 HydrophobicContact CG1-CB 4.35Å; V698-V739 HydrophobicContact CG1-CG2 3.56Å; V698-V739 HydrophobicContact CG2-CG2 4.13Å; L721-V739 HydrophobicContact CD2-CG2 4.11Å; I735-V739 HydrophobicContact CG2-CG2 4.44Å; I735-V739 WeakPolarHBondContact O-CG2 3.25Å; I735-V739 PolarHBondContact O-N 3.46Å; V739-G744 WeakPolarHBondContact O-CA 3.29Å; V739-G744 PolarHBondContact O-N 2.88Å; V739-L745 HydrophobicContact CG1-CD2 3.92Å; V739-L745 HydrophobicContact CG1-CG 4.38Å; V739-L748 HydrophobicContact CG1-CD1 4.37Å; V739-L770 HydrophobicContact CB-CD2 3.73Å; V739-L770 HydrophobicContact CG1-CD1 3.9Å; V739-L770 HydrophobicContact CG1-CD2 3.74Å; V739-L770 HydrophobicContact CG2-CD2 4Å
740	R	95.6	Very high	95.7	Very high	36 Å²	36	34.8 Å²	34.8	14%	0.136	17%	0.169	C	C	.	.	H	α-helix	trans	-71.3	-49.6	171.3	179.1	176.5	63.7	-114.4	8.1	112.3	D675 A737 T738 E742 K743 L745 D773 N776 L779	D675-R740 IonicContact OD1-NH2 3.67Å; A737-R740 WeakPolarHBondContact O-CB 3.5Å; A737-R740 PolarHBondContact O-N 2.88Å; T738-R740 PolarHBondContact O-N 3.13Å; T738-R740 VanDerWaalsContact O-N 3.17Å; R740-E742 PolarHBondContact O-N 2.96Å; R740-K743 PolarHBondContact O-N 3.16Å; R740-L745 HydrophobicContact CB-CD1 4.18Å; R740-L745 HydrophobicContact CG-CD1 4.34Å; R740-D773 IonicContact CZ-OD2 3.13Å; R740-D773 IonicContact NH1-OD1 2.73Å; R740-D773 PolarHBondContact NH1-OD1 3.02Å; R740-D773 VanDerWaalsContact NH1-OD1 3.09Å; R740-D773 IonicContact NH1-OD2 3.31Å; R740-D773 PolarHBondContact NH1-OD2 2.99Å; R740-D773 IonicContact NH2-OD2 3.77Å; R740-N776 WeakPolarHBondContact CB-OD1 3.43Å; R740-N776 WeakPolarHBondContact CD-OD1 3.47Å; R740-N776 PolarHBondContact NH1-OD1 3.44Å; R740-L779 HydrophobicContact CG-CD1 3.96Å
741	K	94.5	Very high	96	Very high	100 Å²	100	33.6 Å²	33.6	44%	0.435	16%	0.161	S	C	.	.	H	α-helix	trans	-61.1	-42.3	-178.6	-73	177.2	173.9	-175.7	0	112.5	D675 A737 T738 K743	D675-K741 WeakPolarHBondContact O-CE 3.29Å; D675-K741 PolarHBondContact O-NZ 3.1Å; A737-K741 WeakPolarHBondContact O-CG 3.38Å; A737-K741 PolarHBondContact O-N 2.95Å; T738-K741 PolarHBondContact O-N 3.3Å; K741-K743 PolarHBondContact O-N 3.43Å
742	E	95.7	Very high	96.1	Very high	67 Å²	67	33.4 Å²	33.4	31%	0.313	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	13	178.5	-55.2	-62.4	140.4	0	0	113.3	R699 L702 T738 R740 G744	R699-E742 WeakPolarHBondContact CD-OE2 3.3Å; R699-E742 HydrophobicContact CG-CG 4.14Å; R699-E742 WeakPolarHBondContact CG-OE2 3.1Å; R699-E742 IonicContact CZ-OE1 3.99Å; R699-E742 IonicContact CZ-OE2 3.63Å; R699-E742 IonicContact NE-OE1 3.77Å; R699-E742 PolarHBondContact NE-OE1 3.09Å; R699-E742 IonicContact NE-OE2 3.94Å; R699-E742 PolarHBondContact NE-OE2 2.82Å; R699-E742 IonicContact NH2-OE1 2.7Å; R699-E742 PolarHBondContact NH2-OE1 2.83Å; R699-E742 IonicContact NH2-OE2 2.7Å; L702-E742 HydrophobicContact CD1-CB 3.75Å; T738-E742 HydrophobicContact CG2-CG 3.74Å; T738-E742 WeakPolarHBondContact O-CB 3.19Å; T738-E742 WeakPolarHBondContact O-CG 3.39Å; T738-E742 PolarHBondContact O-N 3.21Å; R740-E742 PolarHBondContact O-N 2.96Å; E742-G744 PolarHBondContact O-N 3.45Å
743	K	95.9	Very high	96.1	Very high	160 Å²	160	39.1 Å²	39.1	70%	0.696	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	27	179.6	-53.4	176.7	-176.5	172.8	0	114.9	R740 K741 L745 P746	R740-K743 PolarHBondContact O-N 3.16Å; K741-K743 PolarHBondContact O-N 3.43Å; K743-L745 VanDerWaalsContact C-N 3.31Å; K743-L745 PolarHBondContact O-N 3.42Å; K743-P746 WeakPolarHBondContact O-CD 3.47Å
744	G	97.5	Very high	96.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.8	-23	179.6	0	0	0	0	0	115.2	L702 V739 E742 I747 L748	L702-G744 VanDerWaalsContact CD2-CA 3.43Å; V739-G744 WeakPolarHBondContact O-CA 3.29Å; V739-G744 PolarHBondContact O-N 2.88Å; E742-G744 PolarHBondContact O-N 3.45Å; G744-I747 PolarHBondContact O-N 3.42Å; G744-L748 WeakPolarHBondContact O-CG 3.35Å; G744-L748 PolarHBondContact O-N 2.86Å
745	L	97.6	Very high	95.9	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-46.8	-178.9	-58.9	177.1	0	0	0	113	V739 R740 K743 I747 L748 V749 L767 L770 N776 I780 Y783	V739-L745 HydrophobicContact CG1-CD2 3.92Å; V739-L745 HydrophobicContact CG1-CG 4.38Å; R740-L745 HydrophobicContact CB-CD1 4.18Å; R740-L745 HydrophobicContact CG-CD1 4.34Å; K743-L745 VanDerWaalsContact C-N 3.31Å; K743-L745 PolarHBondContact O-N 3.42Å; L745-I747 PolarHBondContact O-N 3.06Å; L745-L748 PolarHBondContact O-N 2.82Å; L745-V749 WeakPolarHBondContact O-CG2 3.47Å; L745-V749 PolarHBondContact O-N 3.49Å; L745-L767 HydrophobicContact CD2-CD2 4.39Å; L745-L770 HydrophobicContact CD2-CB 4.26Å; L745-L770 HydrophobicContact CD2-CD1 3.86Å; L745-L770 HydrophobicContact CD2-CG 4.45Å; L745-N776 HydrophobicContact CD1-CB 4.48Å; L745-I780 HydrophobicContact CD1-CG1 4.25Å; L745-I780 HydrophobicContact CD2-CD1 4.05Å; L745-I780 HydrophobicContact CD2-CG1 4.26Å; L745-Y783 HydrophobicContact CB-CE2 4.48Å; L745-Y783 WeakPolarHBondContact CB-OH 3.46Å; L745-Y783 WeakPolarHBondContact CD1-OH 3.38Å
746	P	97.2	Very high	95.8	Very high	70 Å²	70	44.7 Å²	44.7	46%	0.455	22%	0.216	S	C	.	.	H	α-helix	trans	-51.2	-46.8	167.1	-32.2	34.3	0	0	0	115.1	K743 L748 V749 E750	K743-P746 WeakPolarHBondContact O-CD 3.47Å; P746-L748 PolarHBondContact O-N 2.82Å; P746-V749 PolarHBondContact O-N 3.1Å; P746-V749 VanDerWaalsContact O-N 3.13Å; P746-E750 PolarHBondContact O-N 3.27Å
747	I	97.9	Very high	95.7	Very high	36 Å²	36	45.7 Å²	45.7	19%	0.185	22%	0.221	C	C	.	.	H	α-helix	trans	-59.9	-46.3	-179.1	-64.5	159.5	0	0	0	110.3	L702 L705 T706 G744 L745 V749 E750 L751	L702-I747 HydrophobicContact CB-CD1 4.43Å; L702-I747 HydrophobicContact CD2-CD1 4.33Å; L705-I747 HydrophobicContact CB-CG2 3.93Å; T706-I747 WeakPolarHBondContact OG1-CD1 3.27Å; G744-I747 PolarHBondContact O-N 3.42Å; L745-I747 PolarHBondContact O-N 3.06Å; I747-V749 PolarHBondContact O-N 3.5Å; I747-E750 PolarHBondContact O-N 3.36Å; I747-L751 HydrophobicContact CG2-CD1 4.36Å; I747-L751 WeakPolarHBondContact O-CG 3.36Å; I747-L751 PolarHBondContact O-N 3.05Å; I747-L751 VanDerWaalsContact O-N 3.08Å
748	L	98.3	Very high	95.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-41.1	175.1	-69	171.1	0	0	0	112.1	L705 V739 G744 L745 P746 E750 L751 L752 V763 L767 L770	L705-L748 HydrophobicContact CD1-CD2 4.13Å; V739-L748 HydrophobicContact CG1-CD1 4.37Å; G744-L748 WeakPolarHBondContact O-CG 3.35Å; G744-L748 PolarHBondContact O-N 2.86Å; L745-L748 PolarHBondContact O-N 2.82Å; P746-L748 PolarHBondContact O-N 2.82Å; L748-E750 VanDerWaalsContact C-N 3.31Å; L748-E750 PolarHBondContact O-N 3.42Å; L748-L751 PolarHBondContact O-N 3.44Å; L748-L752 PolarHBondContact O-N 2.97Å; L748-V763 HydrophobicContact CB-CG1 4.24Å; L748-V763 HydrophobicContact CD2-CG1 4.43Å; L748-V763 HydrophobicContact CD2-CG2 4.18Å; L748-V763 WeakPolarHBondContact O-CG1 3.24Å; L748-L767 HydrophobicContact CB-CD1 4.46Å; L748-L767 HydrophobicContact CB-CD2 3.87Å; L748-L767 HydrophobicContact CB-CG 4.13Å; L748-L767 HydrophobicContact CD1-CD2 4.24Å; L748-L770 HydrophobicContact CD1-CD1 3.38Å
749	V	97	Very high	95.8	Very high	8 Å²	8	50 Å²	50	5%	0.048	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-31.2	177.7	172	0	0	0	0	112.6	L745 P746 I747 L752 L767 Y783 A784 D787	L745-V749 WeakPolarHBondContact O-CG2 3.47Å; L745-V749 PolarHBondContact O-N 3.49Å; P746-V749 PolarHBondContact O-N 3.1Å; P746-V749 VanDerWaalsContact O-N 3.13Å; I747-V749 PolarHBondContact O-N 3.5Å; V749-L752 WeakPolarHBondContact O-CB 3.37Å; V749-L752 PolarHBondContact O-N 2.94Å; V749-L767 HydrophobicContact CG2-CD1 4.17Å; V749-L767 HydrophobicContact CG2-CD2 4.29Å; V749-Y783 HydrophobicContact CG1-CD2 4.46Å; V749-Y783 HydrophobicContact CG2-CD2 4.1Å; V749-Y783 HydrophobicContact CG2-CE2 3.89Å; V749-A784 HydrophobicContact CB-CB 4.48Å; V749-A784 HydrophobicContact CG1-CB 4.17Å; V749-A784 HydrophobicContact CG2-CB 3.41Å; V749-A784 VanDerWaalsContact CG2-CB 3.41Å; V749-D787 HydrophobicContact CG1-CB 4.25Å
750	E	96.3	Very high	95.8	Very high	129 Å²	129	50 Å²	50	60%	0.603	24%	0.238	S	C	*	.	H	α-helix	trans	-68.3	-41.4	172.9	-172.5	162.5	178.5	0	0	111.7	P746 I747 L748 L752 R753	P746-E750 PolarHBondContact O-N 3.27Å; I747-E750 PolarHBondContact O-N 3.36Å; L748-E750 VanDerWaalsContact C-N 3.31Å; L748-E750 PolarHBondContact O-N 3.42Å; E750-L752 PolarHBondContact O-N 2.69Å; E750-R753 VanDerWaalsContact O-CB 3.28Å; E750-R753 WeakPolarHBondContact O-CB 3.31Å; E750-R753 WeakPolarHBondContact O-CG 3.34Å; E750-R753 PolarHBondContact O-N 3.1Å
751	L	96.9	Very high	95.9	Very high	25 Å²	25	50.7 Å²	50.7	13%	0.131	24%	0.241	C	C	.	.	H	α-helix	trans	-67.1	-15.6	177.1	-69.2	172	0	0	0	114.5	L705 L714 I747 L748 R753 S754 V759 V763	L705-L751 HydrophobicContact CB-CD1 4.01Å; L705-L751 HydrophobicContact CD2-CD1 3.5Å; L705-L751 HydrophobicContact CG-CD1 4.3Å; L714-L751 HydrophobicContact CD1-CD2 4.29Å; I747-L751 HydrophobicContact CG2-CD1 4.36Å; I747-L751 WeakPolarHBondContact O-CG 3.36Å; I747-L751 PolarHBondContact O-N 3.05Å; I747-L751 VanDerWaalsContact O-N 3.08Å; L748-L751 PolarHBondContact O-N 3.44Å; L751-R753 PolarHBondContact O-N 3.3Å; L751-R753 VanDerWaalsContact O-N 3.14Å; L751-S754 WeakPolarHBondContact O-CB 3.48Å; L751-S754 PolarHBondContact O-N 3.1Å; L751-V759 HydrophobicContact CB-CG1 4.31Å; L751-V759 HydrophobicContact CD2-CG1 4.48Å; L751-V763 HydrophobicContact CB-CG1 4.45Å; L751-V763 HydrophobicContact CB-CG2 3.82Å; L751-V763 HydrophobicContact CD1-CG2 4.36Å
752	L	95.6	Very high	96	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.6	164.8	-68.6	174.4	0	0	0	112.7	L748 V749 E750 V760 V763 A764 L767 L788 N791	L748-L752 PolarHBondContact O-N 2.97Å; V749-L752 WeakPolarHBondContact O-CB 3.37Å; V749-L752 PolarHBondContact O-N 2.94Å; E750-L752 PolarHBondContact O-N 2.69Å; L752-V760 HydrophobicContact CD2-CG1 4.36Å; L752-V763 HydrophobicContact CD2-CB 4.39Å; L752-V763 HydrophobicContact CD2-CG1 3.65Å; L752-V763 HydrophobicContact CG-CG1 3.82Å; L752-A764 HydrophobicContact CD2-CB 4.44Å; L752-L767 HydrophobicContact CD1-CD1 3.78Å; L752-L767 HydrophobicContact CD2-CD1 4.31Å; L752-L767 HydrophobicContact CG-CD1 4.11Å; L752-L788 HydrophobicContact CD1-CD2 3.65Å; L752-L788 HydrophobicContact CD1-CG 3.84Å; L752-L788 HydrophobicContact CD2-CD2 4.1Å; L752-N791 PolarHBondContact O-ND2 2.83Å
753	R	93.1	Very high	96.1	Very high	121 Å²	121	42.9 Å²	42.9	46%	0.457	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.9	174.6	-53.8	-177.6	-173.5	126.6	10.6	113.4	E750 L751 D787 K801	E750-R753 VanDerWaalsContact O-CB 3.28Å; E750-R753 WeakPolarHBondContact O-CB 3.31Å; E750-R753 WeakPolarHBondContact O-CG 3.34Å; E750-R753 PolarHBondContact O-N 3.1Å; L751-R753 PolarHBondContact O-N 3.3Å; L751-R753 VanDerWaalsContact O-N 3.14Å; R753-D787 IonicContact CZ-OD1 2.69Å; R753-D787 IonicContact NE-OD1 3.62Å; R753-D787 PolarHBondContact NE-OD1 3.31Å; R753-D787 IonicContact NH2-OD1 3.22Å; R753-D787 PolarHBondContact NH2-OD1 2.93Å; R753-D787 IonicContact NH2-OD2 2.68Å; R753-K801 PolarHBondContact O-NZ 2.93Å
754	S	93.6	Very high	96.2	Very high	16 Å²	16	35.2 Å²	35.2	11%	0.112	17%	0.173	C	C	.	.			trans	-58.5	146.3	177.8	-173.1	0	0	0	0	112.1	L751 S756 V760 K801	L751-S754 WeakPolarHBondContact O-CB 3.48Å; L751-S754 PolarHBondContact O-N 3.1Å; S754-S756 VanDerWaalsContact C-N 3.25Å; S754-S756 PolarHBondContact OG-N 3.15Å; S754-V760 WeakPolarHBondContact O-CG2 3.39Å; S754-K801 PolarHBondContact O-NZ 3.29Å
755	D	90.3	Very high	96.3	Very high	125 Å²	125	36 Å²	36	67%	0.668	18%	0.177	S	C	*	.	S	Bend	trans	-78	-10.8	172.4	-65.4	-51.6	0	0	0	113	D757 K801	D755-D757 PolarHBondContact O-N 3.23Å; D755-K801 IonicContact OD1-NZ 3.94Å; D755-K801 PolarHBondContact OD1-NZ 3.12Å
756	S	93.9	Very high	96.3	Very high	24 Å²	24	35.9 Å²	35.9	17%	0.168	18%	0.177	C	C	.	.			trans	-86	108.5	175.7	-171.7	0	0	0	0	111.2	S754 K758 V759 V760	S754-S756 VanDerWaalsContact C-N 3.25Å; S754-S756 PolarHBondContact OG-N 3.15Å; S756-K758 PolarHBondContact O-N 3.14Å; S756-V759 WeakPolarHBondContact O-CB 3.29Å; S756-V759 PolarHBondContact O-N 2.03Å; S756-V760 PolarHBondContact O-N 3.48Å; S756-V760 VanDerWaalsContact O-N 3.08Å
757	D	94.1	Very high	96.4	Very high	21 Å²	21	32.6 Å²	32.6	11%	0.112	16%	0.155	C	C	.	.	H	α-helix	trans	-48.7	-42.5	175.1	173.1	92.4	0	0	0	112.5	D755 V759 V760 R761 L803 E804 T807	D755-D757 PolarHBondContact O-N 3.23Å; D757-V759 VanDerWaalsContact C-N 3.35Å; D757-V759 PolarHBondContact O-N 3.03Å; D757-V760 PolarHBondContact O-N 3.32Å; D757-R761 WeakPolarHBondContact O-CB 3.2Å; D757-R761 PolarHBondContact O-N 3.43Å; D757-R761 IonicContact OD2-CZ 3.61Å; D757-R761 IonicContact OD2-NE 3.71Å; D757-R761 IonicContact OD2-NH2 3.51Å; D757-R761 PolarHBondContact OD2-NH2 2.9Å; D757-L803 HydrophobicContact CB-CD2 4.25Å; D757-L803 WeakPolarHBondContact OD1-CA 3.2Å; D757-E804 PolarHBondContact OD1-N 3.43Å; D757-T807 WeakPolarHBondContact OD1-CB 3.34Å; D757-T807 WeakPolarHBondContact OD1-CG2 3.47Å; D757-T807 PolarHBondContact OD1-OG1 2.87Å; D757-T807 PolarHBondContact OD2-OG1 3.11Å
758	K	95.7	Very high	96.4	Very high	110 Å²	110	32.4 Å²	32.4	48%	0.478	15%	0.152	S	C	.	.	H	α-helix	trans	-60.6	-41.1	178.2	-61.1	-174.6	-178.2	-179.2	0	112.9	E715 S756 R761 A762	E715-K758 HydrophobicContact CG-CB 3.99Å; E715-K758 WeakPolarHBondContact OE2-CD 3.45Å; S756-K758 PolarHBondContact O-N 3.14Å; K758-R761 PolarHBondContact O-N 2.91Å; K758-A762 WeakPolarHBondContact O-CB 3.11Å; K758-A762 PolarHBondContact O-N 3.49Å
759	V	97.3	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-48.3	176.1	177	0	0	0	0	109.4	Y711 L714 E715 L751 S756 D757 R761 A762 V763	Y711-V759 HydrophobicContact CD1-CG2 4.21Å; Y711-V759 WeakPolarHBondContact O-CG2 3.49Å; L714-V759 HydrophobicContact CB-CG1 4.32Å; L714-V759 HydrophobicContact CB-CG2 3.98Å; E715-V759 HydrophobicContact CB-CG2 4.36Å; L751-V759 HydrophobicContact CB-CG1 4.31Å; L751-V759 HydrophobicContact CD2-CG1 4.48Å; S756-V759 WeakPolarHBondContact O-CB 3.29Å; S756-V759 PolarHBondContact O-N 2.03Å; D757-V759 VanDerWaalsContact C-N 3.35Å; D757-V759 PolarHBondContact O-N 3.03Å; V759-R761 VanDerWaalsContact C-N 3.29Å; V759-R761 PolarHBondContact O-N 3.15Å; V759-A762 PolarHBondContact O-N 3.34Å; V759-V763 HydrophobicContact CG1-CG2 4.11Å; V759-V763 WeakPolarHBondContact O-CB 3.37Å; V759-V763 WeakPolarHBondContact O-CG2 3.5Å; V759-V763 PolarHBondContact O-N 3.19Å
760	V	97	Very high	96.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.8	-41.6	176.6	179.5	0	0	0	0	111.3	L752 S754 S756 D757 A764 L803 T807 I811	L752-V760 HydrophobicContact CD2-CG1 4.36Å; S754-V760 WeakPolarHBondContact O-CG2 3.39Å; S756-V760 PolarHBondContact O-N 3.48Å; S756-V760 VanDerWaalsContact O-N 3.08Å; D757-V760 PolarHBondContact O-N 3.32Å; V760-A764 VanDerWaalsContact O-CB 3.29Å; V760-A764 WeakPolarHBondContact O-CB 3.49Å; V760-A764 PolarHBondContact O-N 2.84Å; V760-L803 HydrophobicContact CG1-CD1 4.41Å; V760-T807 HydrophobicContact CB-CG2 4.24Å; V760-T807 HydrophobicContact CG1-CG2 3.93Å; V760-I811 HydrophobicContact CG1-CD1 4.17Å
761	R	97.5	Very high	96.3	Very high	50 Å²	50	26.1 Å²	26.1	19%	0.189	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-52.6	176.9	-163.5	-175.8	-53.7	-175	14.1	112	D757 K758 V759 V763 A764 I765 E804 D806 T807 A810	D757-R761 WeakPolarHBondContact O-CB 3.2Å; D757-R761 PolarHBondContact O-N 3.43Å; D757-R761 IonicContact OD2-CZ 3.61Å; D757-R761 IonicContact OD2-NE 3.71Å; D757-R761 IonicContact OD2-NH2 3.51Å; D757-R761 PolarHBondContact OD2-NH2 2.9Å; K758-R761 PolarHBondContact O-N 2.91Å; V759-R761 VanDerWaalsContact C-N 3.29Å; V759-R761 PolarHBondContact O-N 3.15Å; R761-V763 VanDerWaalsContact C-N 3.34Å; R761-V763 PolarHBondContact O-N 2.81Å; R761-A764 PolarHBondContact O-N 3.22Å; R761-I765 HydrophobicContact CG-CD1 4.28Å; R761-I765 WeakPolarHBondContact O-CG1 3.31Å; R761-I765 PolarHBondContact O-N 3.41Å; R761-I765 VanDerWaalsContact O-N 3.14Å; R761-E804 IonicContact CZ-OE2 2.7Å; R761-E804 IonicContact NH1-OE2 3.6Å; R761-E804 VanDerWaalsContact NH2-CD 3.28Å; R761-E804 IonicContact NH2-OE1 3.5Å; R761-E804 IonicContact NH2-OE2 3.38Å; R761-E804 PolarHBondContact NH2-OE2 3.25Å; R761-D806 IonicContact NH1-OD2 3.24Å; R761-D806 PolarHBondContact NH1-OD2 3.46Å; R761-T807 HydrophobicContact CB-CG2 4.11Å; R761-T807 PolarHBondContact NE-OG1 2.89Å; R761-T807 PolarHBondContact NH2-OG1 3.31Å; R761-A810 HydrophobicContact CG-CB 4.29Å
762	A	98.1	Very high	96.1	Very high	3 Å²	3	27.2 Å²	27.2	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-42.8	179.5	0	0	0	0	0	111.8	E715 A718 K758 V759 I765 A766	E715-A762 HydrophobicContact CG-CB 4.11Å; A718-A762 HydrophobicContact CB-CB 3.89Å; K758-A762 WeakPolarHBondContact O-CB 3.11Å; K758-A762 PolarHBondContact O-N 3.49Å; V759-A762 PolarHBondContact O-N 3.34Å; A762-I765 PolarHBondContact O-N 2.91Å; A762-A766 WeakPolarHBondContact O-CB 3.43Å; A762-A766 PolarHBondContact O-N 3.14Å
763	V	98.3	Very high	96	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.7	-43	177.6	167.2	0	0	0	0	112	A718 L748 L751 L752 V759 R761 A766 L767	A718-V763 HydrophobicContact CB-CG2 3.9Å; L748-V763 HydrophobicContact CB-CG1 4.24Å; L748-V763 HydrophobicContact CD2-CG1 4.43Å; L748-V763 HydrophobicContact CD2-CG2 4.18Å; L748-V763 WeakPolarHBondContact O-CG1 3.24Å; L751-V763 HydrophobicContact CB-CG1 4.45Å; L751-V763 HydrophobicContact CB-CG2 3.82Å; L751-V763 HydrophobicContact CD1-CG2 4.36Å; L752-V763 HydrophobicContact CD2-CB 4.39Å; L752-V763 HydrophobicContact CD2-CG1 3.65Å; L752-V763 HydrophobicContact CG-CG1 3.82Å; V759-V763 HydrophobicContact CG1-CG2 4.11Å; V759-V763 WeakPolarHBondContact O-CB 3.37Å; V759-V763 WeakPolarHBondContact O-CG2 3.5Å; V759-V763 PolarHBondContact O-N 3.19Å; R761-V763 VanDerWaalsContact C-N 3.34Å; R761-V763 PolarHBondContact O-N 2.81Å; V763-A766 PolarHBondContact O-N 2.86Å; V763-L767 HydrophobicContact CG1-CD1 4.07Å; V763-L767 WeakPolarHBondContact O-CB 3.36Å; V763-L767 WeakPolarHBondContact O-CG 3.46Å; V763-L767 PolarHBondContact O-N 3.39Å
764	A	98.1	Very high	96	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-49.3	176.3	0	0	0	0	0	111.3	L752 V760 R761 A766 L767 R768 A810 I811 T814	L752-A764 HydrophobicContact CD2-CB 4.44Å; V760-A764 VanDerWaalsContact O-CB 3.29Å; V760-A764 WeakPolarHBondContact O-CB 3.49Å; V760-A764 PolarHBondContact O-N 2.84Å; R761-A764 PolarHBondContact O-N 3.22Å; A764-A766 VanDerWaalsContact C-N 3.32Å; A764-A766 PolarHBondContact O-N 3.26Å; A764-L767 PolarHBondContact O-N 2.68Å; A764-R768 WeakPolarHBondContact O-CB 3.14Å; A764-R768 PolarHBondContact O-N 3.46Å; A764-A810 HydrophobicContact CB-CB 4.37Å; A764-I811 HydrophobicContact CB-CG1 4.12Å; A764-T814 WeakPolarHBondContact O-CG2 3.4Å; A764-T814 PolarHBondContact O-OG1 3.49Å
765	I	98.2	Very high	96	Very high	16 Å²	16	33.4 Å²	33.4	8%	0.082	15%	0.15	C	C	.	.	H	α-helix	trans	-67.9	-33.2	179.8	-49.9	163	0	0	0	111.1	Q722 R761 A762 R768 N769 A810	Q722-I765 HydrophobicContact CG-CB 4.13Å; Q722-I765 HydrophobicContact CG-CG2 3.84Å; R761-I765 HydrophobicContact CG-CD1 4.28Å; R761-I765 WeakPolarHBondContact O-CG1 3.31Å; R761-I765 PolarHBondContact O-N 3.41Å; R761-I765 VanDerWaalsContact O-N 3.14Å; A762-I765 PolarHBondContact O-N 2.91Å; I765-R768 WeakPolarHBondContact O-CB 3.2Å; I765-R768 PolarHBondContact O-N 3.29Å; I765-N769 PolarHBondContact O-N 3.43Å; I765-A810 HydrophobicContact CD1-CB 4.3Å; I765-A810 HydrophobicContact CG1-CB 3.85Å
766	A	98.5	Very high	96.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61	-50.4	170.2	0	0	0	0	0	111.8	Q722 A762 V763 A764 R768 N769 L770	Q722-A766 HydrophobicContact CB-CB 4.07Å; A762-A766 WeakPolarHBondContact O-CB 3.43Å; A762-A766 PolarHBondContact O-N 3.14Å; V763-A766 PolarHBondContact O-N 2.86Å; A764-A766 VanDerWaalsContact C-N 3.32Å; A764-A766 PolarHBondContact O-N 3.26Å; A766-R768 VanDerWaalsContact C-N 3.25Å; A766-R768 PolarHBondContact O-N 2.86Å; A766-N769 PolarHBondContact O-N 3.15Å; A766-N769 VanDerWaalsContact O-N 3.17Å; A766-L770 WeakPolarHBondContact O-CB 3.35Å; A766-L770 WeakPolarHBondContact O-CD1 3.21Å; A766-L770 WeakPolarHBondContact O-CG 3.41Å; A766-L770 PolarHBondContact O-N 3.02Å
767	L	98.3	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60	-34.5	176.8	-74.1	170.7	0	0	0	112.5	L745 L748 V749 L752 V763 A764 L770 S771 I780 T814	L745-L767 HydrophobicContact CD2-CD2 4.39Å; L748-L767 HydrophobicContact CB-CD1 4.46Å; L748-L767 HydrophobicContact CB-CD2 3.87Å; L748-L767 HydrophobicContact CB-CG 4.13Å; L748-L767 HydrophobicContact CD1-CD2 4.24Å; V749-L767 HydrophobicContact CG2-CD1 4.17Å; V749-L767 HydrophobicContact CG2-CD2 4.29Å; L752-L767 HydrophobicContact CD1-CD1 3.78Å; L752-L767 HydrophobicContact CD2-CD1 4.31Å; L752-L767 HydrophobicContact CG-CD1 4.11Å; V763-L767 HydrophobicContact CG1-CD1 4.07Å; V763-L767 WeakPolarHBondContact O-CB 3.36Å; V763-L767 WeakPolarHBondContact O-CG 3.46Å; V763-L767 PolarHBondContact O-N 3.39Å; A764-L767 PolarHBondContact O-N 2.68Å; L767-L770 PolarHBondContact O-N 3.32Å; L767-S771 WeakPolarHBondContact O-CB 3.4Å; L767-S771 PolarHBondContact O-N 3.39Å; L767-S771 PolarHBondContact O-OG 2.8Å; L767-I780 HydrophobicContact CD2-CD1 4.12Å; L767-I780 HydrophobicContact CD2-CG1 4.31Å; L767-I780 HydrophobicContact CD2-CG2 4.5Å; L767-T814 HydrophobicContact CB-CG2 4.18Å
768	R	97.5	Very high	96.4	Very high	32 Å²	32	29.3 Å²	29.3	12%	0.121	13%	0.126	C	C	.	.	H	α-helix	trans	-66	-43.9	173.4	-173.9	-179.2	172.7	-132.8	-10.6	113.1	A764 I765 A766 L770 S771 N813 T814 E817	A764-R768 WeakPolarHBondContact O-CB 3.14Å; A764-R768 PolarHBondContact O-N 3.46Å; I765-R768 WeakPolarHBondContact O-CB 3.2Å; I765-R768 PolarHBondContact O-N 3.29Å; A766-R768 VanDerWaalsContact C-N 3.25Å; A766-R768 PolarHBondContact O-N 2.86Å; R768-L770 VanDerWaalsContact C-N 3.33Å; R768-S771 PolarHBondContact O-N 2.94Å; R768-S771 PolarHBondContact O-OG 3.2Å; R768-S771 VanDerWaalsContact O-OG 3.05Å; R768-N813 PolarHBondContact NE-O 3.47Å; R768-T814 HydrophobicContact CB-CG2 4.03Å; R768-E817 HydrophobicContact CG-CB 3.95Å; R768-E817 HydrophobicContact CG-CG 4.29Å
769	N	97.4	Very high	96.4	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.032	12%	0.12	C	C	.	.	H	α-helix	trans	-70.4	-34.1	176.1	-69.7	-8.4	0	0	0	111	Q722 S725 R736 I765 A766 I772	Q722-N769 PolarHBondContact O-ND2 3.24Å; S725-N769 WeakPolarHBondContact OG-CB 3.46Å; R736-N769 WeakPolarHBondContact CD-O 3.4Å; I765-N769 PolarHBondContact O-N 3.43Å; A766-N769 PolarHBondContact O-N 3.15Å; A766-N769 VanDerWaalsContact O-N 3.17Å; N769-I772 WeakPolarHBondContact O-CB 3.49Å; N769-I772 WeakPolarHBondContact O-CD1 3.28Å; N769-I772 WeakPolarHBondContact O-CG1 3.39Å; N769-I772 PolarHBondContact O-N 3.43Å
770	L	97.4	Very high	96.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-36.4	175.7	-72.1	161.3	0	0	0	112.6	R736 V739 L745 L748 A766 L767 R768 I772 D773 N776 I780	R736-L770 HydrophobicContact CG-CD2 4.27Å; V739-L770 HydrophobicContact CB-CD2 3.73Å; V739-L770 HydrophobicContact CG1-CD1 3.9Å; V739-L770 HydrophobicContact CG1-CD2 3.74Å; V739-L770 HydrophobicContact CG2-CD2 4Å; L745-L770 HydrophobicContact CD2-CB 4.26Å; L745-L770 HydrophobicContact CD2-CD1 3.86Å; L745-L770 HydrophobicContact CD2-CG 4.45Å; L748-L770 HydrophobicContact CD1-CD1 3.38Å; A766-L770 WeakPolarHBondContact O-CB 3.35Å; A766-L770 WeakPolarHBondContact O-CD1 3.21Å; A766-L770 WeakPolarHBondContact O-CG 3.41Å; A766-L770 PolarHBondContact O-N 3.02Å; L767-L770 PolarHBondContact O-N 3.32Å; R768-L770 VanDerWaalsContact C-N 3.33Å; L770-I772 PolarHBondContact O-N 3.04Å; L770-D773 PolarHBondContact O-N 2.95Å; L770-N776 WeakPolarHBondContact O-CB 3.41Å; L770-N776 PolarHBondContact O-ND2 3.34Å; L770-I780 HydrophobicContact CB-CD1 4.19Å
771	S	96.2	Very high	96.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	4.1	177.5	66.2	0	0	0	0	115	L767 R768 D773 K777	L767-S771 WeakPolarHBondContact O-CB 3.4Å; L767-S771 PolarHBondContact O-N 3.39Å; L767-S771 PolarHBondContact O-OG 2.8Å; R768-S771 PolarHBondContact O-N 2.94Å; R768-S771 PolarHBondContact O-OG 3.2Å; R768-S771 VanDerWaalsContact O-OG 3.05Å; S771-D773 VanDerWaalsContact C-N 3.26Å; S771-K777 WeakPolarHBondContact O-CB 3.46Å; S771-K777 WeakPolarHBondContact O-CE 3.24Å
772	I	93	Very high	95.9	Very high	48 Å²	48	28.8 Å²	28.8	25%	0.246	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-33	163.4	-61	170.2	0	0	0	110.5	N769 L770 M907	N769-I772 WeakPolarHBondContact O-CB 3.49Å; N769-I772 WeakPolarHBondContact O-CD1 3.28Å; N769-I772 WeakPolarHBondContact O-CG1 3.39Å; N769-I772 PolarHBondContact O-N 3.43Å; L770-I772 PolarHBondContact O-N 3.04Å; I772-M907 HydrophobicContact CD1-SD 3.65Å
773	D	93.1	Very high	95.6	Very high	21 Å²	21	32.5 Å²	32.5	11%	0.112	15%	0.152	C	C	.	.	S	Bend	trans	-73	126.6	166.6	171.3	-46	0	0	0	108.9	R736 R740 L770 S771 R775 N776 K777	R736-D773 HydrophobicContact CB-CB 4.11Å; R740-D773 IonicContact CZ-OD2 3.13Å; R740-D773 IonicContact NH1-OD1 2.73Å; R740-D773 PolarHBondContact NH1-OD1 3.02Å; R740-D773 VanDerWaalsContact NH1-OD1 3.09Å; R740-D773 IonicContact NH1-OD2 3.31Å; R740-D773 PolarHBondContact NH1-OD2 2.99Å; R740-D773 IonicContact NH2-OD2 3.77Å; L770-D773 PolarHBondContact O-N 2.95Å; S771-D773 VanDerWaalsContact C-N 3.26Å; D773-R775 PolarHBondContact O-N 3.12Å; D773-R775 WeakPolarHBondContact OD1-CA 3.37Å; D773-R775 WeakPolarHBondContact OD1-CB 3.37Å; D773-R775 PolarHBondContact OD1-N 3.23Å; D773-N776 HydrophobicContact CB-CB 4.04Å; D773-N776 CarbonylContact O-C 3.58Å; D773-N776 WeakPolarHBondContact O-CB 3.25Å; D773-N776 PolarHBondContact O-N 2.8Å; D773-N776 PolarHBondContact OD1-N 3.28Å; D773-K777 PolarHBondContact O-N 3Å
774	R	93.3	Very high	95.4	Very high	183 Å²	183	32.5 Å²	32.5	69%	0.691	15%	0.152	S	C	*	.	H	α-helix	trans	-61.8	-40.3	-176.7	-177.9	176	178.2	161.6	3.9	113.6	N776 K777 D778	R774-N776 VanDerWaalsContact C-N 3.28Å; R774-N776 PolarHBondContact O-N 3.47Å; R774-K777 WeakPolarHBondContact O-CB 3.16Å; R774-K777 PolarHBondContact O-N 3.48Å; R774-K777 VanDerWaalsContact O-N 3.1Å; R774-D778 IonicContact NE-OD2 2.68Å; R774-D778 PolarHBondContact O-N 2.91Å
775	R	93.7	Very high	95.3	Very high	62 Å²	62	32.8 Å²	32.8	23%	0.234	15%	0.153	C	C	.	.	H	α-helix	trans	-68.1	-33.3	179	-58.8	174.9	-177.5	-169.5	-6.1	110.1	D671 D675 D773 L779	D671-R775 IonicContact OD1-CZ 2.72Å; D671-R775 IonicContact OD1-NH2 2.92Å; D671-R775 PolarHBondContact OD1-NH2 3.2Å; D671-R775 IonicContact OD2-NH2 2.68Å; D675-R775 IonicContact OD1-NH1 2.76Å; D675-R775 PolarHBondContact OD1-NH1 2.89Å; D675-R775 IonicContact OD2-CZ 2.71Å; D675-R775 IonicContact OD2-NH1 3.56Å; D675-R775 PolarHBondContact OD2-NH1 2.83Å; D773-R775 PolarHBondContact O-N 3.12Å; D773-R775 WeakPolarHBondContact OD1-CA 3.37Å; D773-R775 WeakPolarHBondContact OD1-CB 3.37Å; D773-R775 PolarHBondContact OD1-N 3.23Å; R775-L779 WeakPolarHBondContact O-CB 3.19Å; R775-L779 WeakPolarHBondContact O-CD1 3.45Å; R775-L779 VanDerWaalsContact O-CG 3.27Å; R775-L779 WeakPolarHBondContact O-CG 3.42Å; R775-L779 PolarHBondContact O-N 3.1Å
776	N	96.1	Very high	95.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-43.2	167.5	-70.3	-6.6	0	0	0	111.9	R736 R740 L745 L770 D773 R774 D778 L779 I780	R736-N776 PolarHBondContact O-ND2 3.47Å; R740-N776 WeakPolarHBondContact CB-OD1 3.43Å; R740-N776 WeakPolarHBondContact CD-OD1 3.47Å; R740-N776 PolarHBondContact NH1-OD1 3.44Å; L745-N776 HydrophobicContact CD1-CB 4.48Å; L770-N776 WeakPolarHBondContact O-CB 3.41Å; L770-N776 PolarHBondContact O-ND2 3.34Å; D773-N776 HydrophobicContact CB-CB 4.04Å; D773-N776 CarbonylContact O-C 3.58Å; D773-N776 WeakPolarHBondContact O-CB 3.25Å; D773-N776 PolarHBondContact O-N 2.8Å; D773-N776 PolarHBondContact OD1-N 3.28Å; R774-N776 VanDerWaalsContact C-N 3.28Å; R774-N776 PolarHBondContact O-N 3.47Å; N776-D778 VanDerWaalsContact C-N 3.35Å; N776-D778 PolarHBondContact O-N 3.05Å; N776-L779 PolarHBondContact O-N 3.43Å; N776-I780 HydrophobicContact CB-CD1 4.13Å; N776-I780 VanDerWaalsContact O-CB 3.3Å; N776-I780 WeakPolarHBondContact O-CB 3.37Å; N776-I780 WeakPolarHBondContact O-CD1 3.46Å; N776-I780 WeakPolarHBondContact O-CG1 3.25Å; N776-I780 PolarHBondContact O-N 3.41Å
777	K	95.8	Very high	95	Very high	20 Å²	20	40 Å²	40	9%	0.087	18%	0.18	C	C	.	.	H	α-helix	trans	-56.4	-47.7	179.3	-167.4	173.4	-71.4	-151	0	111.7	S771 D773 R774 G781 E817 T820 N825	S771-K777 WeakPolarHBondContact O-CB 3.46Å; S771-K777 WeakPolarHBondContact O-CE 3.24Å; D773-K777 PolarHBondContact O-N 3Å; R774-K777 WeakPolarHBondContact O-CB 3.16Å; R774-K777 PolarHBondContact O-N 3.48Å; R774-K777 VanDerWaalsContact O-N 3.1Å; K777-G781 PolarHBondContact O-N 2.75Å; K777-E817 VanDerWaalsContact CE-O 3.27Å; K777-E817 WeakPolarHBondContact CE-O 3.44Å; K777-E817 PolarHBondContact NZ-O 3.13Å; K777-E817 IonicContact NZ-OE1 3.75Å; K777-E817 PolarHBondContact NZ-OE1 2.7Å; K777-T820 PolarHBondContact NZ-O 3.38Å; K777-N825 PolarHBondContact O-ND2 2.79Å
778	D	94.8	Very high	94.8	Very high	64 Å²	64	40 Å²	40	34%	0.342	18%	0.18	S	C	.	.	H	α-helix	trans	-68.4	-41.5	179.8	-62.2	-31.4	0	0	0	111.4	R774 N776 S782	R774-D778 IonicContact NE-OD2 2.68Å; R774-D778 PolarHBondContact O-N 2.91Å; N776-D778 VanDerWaalsContact C-N 3.35Å; N776-D778 PolarHBondContact O-N 3.05Å; D778-S782 PolarHBondContact O-N 3.36Å; D778-S782 VanDerWaalsContact O-N 3.16Å
779	L	95.5	Very high	94.6	Very high	70 Å²	70	38.8 Å²	38.8	37%	0.366	18%	0.176	S	C	.	.	H	α-helix	trans	-64	-53.7	175.3	-76.8	171.6	0	0	0	112.7	R740 R775 N776 G781 S782 Y783	R740-L779 HydrophobicContact CG-CD1 3.96Å; R775-L779 WeakPolarHBondContact O-CB 3.19Å; R775-L779 WeakPolarHBondContact O-CD1 3.45Å; R775-L779 VanDerWaalsContact O-CG 3.27Å; R775-L779 WeakPolarHBondContact O-CG 3.42Å; R775-L779 PolarHBondContact O-N 3.1Å; N776-L779 PolarHBondContact O-N 3.43Å; L779-G781 VanDerWaalsContact C-N 3.26Å; L779-G781 PolarHBondContact O-N 3.08Å; L779-S782 PolarHBondContact O-N 2.66Å; L779-S782 PolarHBondContact O-OG 3.06Å; L779-Y783 HydrophobicContact CB-CE1 3.92Å; L779-Y783 HydrophobicContact CD2-CE1 4.28Å; L779-Y783 WeakPolarHBondContact O-CD1 3.36Å; L779-Y783 WeakPolarHBondContact O-CE1 3.32Å; L779-Y783 PolarHBondContact O-N 3.42Å
780	I	95.6	Very high	94.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-41	179.9	-64.6	165.1	0	0	0	109.8	L745 L767 L770 N776 S782 A784 I818	L745-I780 HydrophobicContact CD1-CG1 4.25Å; L745-I780 HydrophobicContact CD2-CD1 4.05Å; L745-I780 HydrophobicContact CD2-CG1 4.26Å; L767-I780 HydrophobicContact CD2-CD1 4.12Å; L767-I780 HydrophobicContact CD2-CG1 4.31Å; L767-I780 HydrophobicContact CD2-CG2 4.5Å; L770-I780 HydrophobicContact CB-CD1 4.19Å; N776-I780 HydrophobicContact CB-CD1 4.13Å; N776-I780 VanDerWaalsContact O-CB 3.3Å; N776-I780 WeakPolarHBondContact O-CB 3.37Å; N776-I780 WeakPolarHBondContact O-CD1 3.46Å; N776-I780 WeakPolarHBondContact O-CG1 3.25Å; N776-I780 PolarHBondContact O-N 3.41Å; I780-S782 VanDerWaalsContact C-N 3.29Å; I780-S782 PolarHBondContact O-N 3.08Å; I780-A784 HydrophobicContact CG2-CB 3.61Å; I780-A784 WeakPolarHBondContact O-CA 3.46Å; I780-A784 WeakPolarHBondContact O-CB 2.93Å; I780-A784 PolarHBondContact O-N 3.23Å; I780-I818 HydrophobicContact CG2-CD1 3.56Å; I780-I818 HydrophobicContact CG2-CG1 4.08Å
781	G	94.6	Very high	94.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-35.8	174.9	0	0	0	0	0	114.1	K777 L779 M785	K777-G781 PolarHBondContact O-N 2.75Å; L779-G781 VanDerWaalsContact C-N 3.26Å; L779-G781 PolarHBondContact O-N 3.08Å; G781-M785 WeakPolarHBondContact O-CB 3.49Å
782	S	90.9	Very high	93.8	Very high	80 Å²	80	42.1 Å²	42.1	56%	0.559	20%	0.198	S	C	*	.	H	α-helix	trans	-71.7	-33.7	-177.8	74.5	0	0	0	0	115.3	D778 L779 I780	D778-S782 PolarHBondContact O-N 3.36Å; D778-S782 VanDerWaalsContact O-N 3.16Å; L779-S782 PolarHBondContact O-N 2.66Å; L779-S782 PolarHBondContact O-OG 3.06Å; I780-S782 VanDerWaalsContact C-N 3.29Å; I780-S782 PolarHBondContact O-N 3.08Å
783	Y	91.6	Very high	93.4	Very high	81 Å²	81	41.9 Å²	41.9	32%	0.318	20%	0.2	S	C	.	.	H	α-helix	trans	-126.6	-23.4	-176.2	56.4	-103.6	0	0	0	115.9	L745 V749 L779	L745-Y783 HydrophobicContact CB-CE2 4.48Å; L745-Y783 WeakPolarHBondContact CB-OH 3.46Å; L745-Y783 WeakPolarHBondContact CD1-OH 3.38Å; V749-Y783 HydrophobicContact CG1-CD2 4.46Å; V749-Y783 HydrophobicContact CG2-CD2 4.1Å; V749-Y783 HydrophobicContact CG2-CE2 3.89Å; L779-Y783 HydrophobicContact CB-CE1 3.92Å; L779-Y783 HydrophobicContact CD2-CE1 4.28Å; L779-Y783 WeakPolarHBondContact O-CD1 3.36Å; L779-Y783 WeakPolarHBondContact O-CE1 3.32Å; L779-Y783 PolarHBondContact O-N 3.42Å
784	A	95	Very high	92.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-22.8	179.4	0	0	0	0	0	113.2	V749 I780 R786 D787 L788	V749-A784 HydrophobicContact CB-CB 4.48Å; V749-A784 HydrophobicContact CG1-CB 4.17Å; V749-A784 HydrophobicContact CG2-CB 3.41Å; V749-A784 VanDerWaalsContact CG2-CB 3.41Å; I780-A784 HydrophobicContact CG2-CB 3.61Å; I780-A784 WeakPolarHBondContact O-CA 3.46Å; I780-A784 WeakPolarHBondContact O-CB 2.93Å; I780-A784 PolarHBondContact O-N 3.23Å; A784-R786 VanDerWaalsContact C-N 3.35Å; A784-R786 PolarHBondContact O-N 3.12Å; A784-D787 PolarHBondContact O-N 3.27Å; A784-L788 HydrophobicContact CB-CD1 4.27Å; A784-L788 PolarHBondContact O-N 3Å
785	M	95.8	Very high	90.6	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-57.5	-43.2	-165.2	-168.3	63	74.5	0	0	113.5	G781 D787 L788 V789 I815 I818 V819 N825 L829 A832	G781-M785 WeakPolarHBondContact O-CB 3.49Å; M785-D787 VanDerWaalsContact C-N 3.32Å; M785-D787 PolarHBondContact O-N 3.01Å; M785-L788 PolarHBondContact O-N 3.21Å; M785-V789 WeakPolarHBondContact O-CB 3.43Å; M785-V789 WeakPolarHBondContact O-CG2 3.46Å; M785-V789 PolarHBondContact O-N 3.17Å; M785-I815 HydrophobicContact SD-CG2 4.43Å; M785-I818 HydrophobicContact CE-CB 4.41Å; M785-I818 HydrophobicContact CE-CG2 3.59Å; M785-V819 HydrophobicContact CE-CG1 3.86Å; M785-N825 HydrophobicContact CE-CB 4.48Å; M785-L829 HydrophobicContact CE-CB 4.13Å; M785-L829 HydrophobicContact CG-CB 4.18Å; M785-L829 HydrophobicContact CG-CD1 4.25Å; M785-L829 HydrophobicContact SD-CB 3.9Å; M785-L829 HydrophobicContact SD-CD1 3.55Å; M785-L829 VanDerWaalsContact SD-CD1 3.55Å; M785-L829 HydrophobicContact SD-CG 4.3Å; M785-A832 HydrophobicContact CG-CB 4.2Å
786	R	94.4	Very high	88.6	Confident	160 Å²	160	43.4 Å²	43.4	60%	0.604	24%	0.238	S	C	*	.	H	α-helix	trans	-62.5	-39	177.1	-177.9	-165.9	61.8	-165.1	-8.8	112.1	A784 V789 S790	A784-R786 VanDerWaalsContact C-N 3.35Å; A784-R786 PolarHBondContact O-N 3.12Å; R786-V789 PolarHBondContact O-N 3.18Å; R786-S790 WeakPolarHBondContact O-CB 3.41Å; R786-S790 PolarHBondContact O-N 3.31Å; R786-S790 PolarHBondContact O-OG 3.49Å
787	D	94.4	Very high	86.1	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.048	27%	0.271	C	S	.	.	H	α-helix	trans	-83.3	-20.6	-174.7	-69.3	-99.8	0	0	0	112.5	V749 R753 A784 M785 S790 N791	V749-D787 HydrophobicContact CG1-CB 4.25Å; R753-D787 IonicContact CZ-OD1 2.69Å; R753-D787 IonicContact NE-OD1 3.62Å; R753-D787 PolarHBondContact NE-OD1 3.31Å; R753-D787 IonicContact NH2-OD1 3.22Å; R753-D787 PolarHBondContact NH2-OD1 2.93Å; R753-D787 IonicContact NH2-OD2 2.68Å; A784-D787 PolarHBondContact O-N 3.27Å; M785-D787 VanDerWaalsContact C-N 3.32Å; M785-D787 PolarHBondContact O-N 3.01Å; D787-S790 WeakPolarHBondContact CA-OG 2.87Å; D787-S790 PolarHBondContact O-OG 3.06Å; D787-N791 PolarHBondContact O-ND2 3.24Å
788	L	95.1	Very high	83.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-72.1	-43.9	161.1	-70.5	166.2	0	0	0	111.3	L752 A784 M785 N791 I811 T814 I815 I818	L752-L788 HydrophobicContact CD1-CD2 3.65Å; L752-L788 HydrophobicContact CD1-CG 3.84Å; L752-L788 HydrophobicContact CD2-CD2 4.1Å; A784-L788 HydrophobicContact CB-CD1 4.27Å; A784-L788 PolarHBondContact O-N 3Å; M785-L788 PolarHBondContact O-N 3.21Å; L788-N791 PolarHBondContact O-N 3.37Å; L788-I811 HydrophobicContact CB-CG2 4.35Å; L788-I811 HydrophobicContact CD2-CG2 4.31Å; L788-I811 WeakPolarHBondContact O-CG2 3.15Å; L788-T814 HydrophobicContact CD1-CG2 4.19Å; L788-T814 HydrophobicContact CD2-CG2 4.02Å; L788-I815 HydrophobicContact CB-CD1 4.12Å; L788-I815 HydrophobicContact CB-CG1 3.97Å; L788-I815 HydrophobicContact CD1-CG1 4.18Å; L788-I818 HydrophobicContact CD1-CD1 3.49Å; L788-I818 VanDerWaalsContact CD1-CD1 3.49Å
789	V	94.1	Very high	81.4	Confident	5 Å²	5	61 Å²	61	3%	0.03	31%	0.313	C	S	.	.	H	α-helix	trans	-74.4	-29.4	-176.3	172.3	0	0	0	0	112.8	M785 R786 N791 L792 I815 L829 A832 A834 K837	M785-V789 WeakPolarHBondContact O-CB 3.43Å; M785-V789 WeakPolarHBondContact O-CG2 3.46Å; M785-V789 PolarHBondContact O-N 3.17Å; R786-V789 PolarHBondContact O-N 3.18Å; V789-N791 VanDerWaalsContact C-N 3.28Å; V789-N791 PolarHBondContact O-N 2.91Å; V789-L792 PolarHBondContact O-N 2.95Å; V789-I815 HydrophobicContact CG2-CD1 4.15Å; V789-L829 HydrophobicContact CG2-CD1 3.71Å; V789-A832 HydrophobicContact CB-CB 4.42Å; V789-A832 WeakPolarHBondContact CG1-O 3.32Å; V789-A832 HydrophobicContact CG2-CB 4.28Å; V789-A834 HydrophobicContact CB-CB 4.33Å; V789-A834 HydrophobicContact CG1-CB 3.69Å; V789-A834 HydrophobicContact CG2-CB 3.58Å; V789-K837 HydrophobicContact CG1-CD 4.34Å; V789-K837 WeakPolarHBondContact O-CE 3.31Å; V789-K837 PolarHBondContact O-NZ 3.31Å
790	S	91.9	Very high	79.5	Confident	55 Å²	55	62 Å²	62	39%	0.385	33%	0.331	S	S	.	.	H	α-helix	trans	-60.2	-39	174.2	58.2	0	0	0	0	111.8	R786 D787 L792 K837	R786-S790 WeakPolarHBondContact O-CB 3.41Å; R786-S790 PolarHBondContact O-N 3.31Å; R786-S790 PolarHBondContact O-OG 3.49Å; D787-S790 WeakPolarHBondContact CA-OG 2.87Å; D787-S790 PolarHBondContact O-OG 3.06Å; S790-L792 VanDerWaalsContact C-N 3.33Å; S790-L792 PolarHBondContact O-N 3.42Å; S790-K837 PolarHBondContact O-NZ 3.37Å; S790-K837 VanDerWaalsContact O-NZ 3.17Å
791	N	91.3	Very high	78	Confident	17 Å²	17	64.5 Å²	64.5	9%	0.091	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.5	178.3	-77.8	-67.8	0	0	0	114.8	L752 D787 L788 V789 L803 I811	L752-N791 PolarHBondContact O-ND2 2.83Å; D787-N791 PolarHBondContact O-ND2 3.24Å; L788-N791 PolarHBondContact O-N 3.37Å; V789-N791 VanDerWaalsContact C-N 3.28Å; V789-N791 PolarHBondContact O-N 2.91Å; N791-L803 HydrophobicContact CB-CD1 3.92Å; N791-I811 HydrophobicContact CB-CD1 3.73Å
792	L	90.7	Very high	76.9	Confident	4 Å²	4	71.6 Å²	71.6	2%	0.021	38%	0.38	C	S	.	.	S	Bend	trans	-71.4	141.3	171.5	-67.1	-179.1	0	0	0	111.1	V789 S790 V808 I811 L812 I815 K837 L838 I841	V789-L792 PolarHBondContact O-N 2.95Å; S790-L792 VanDerWaalsContact C-N 3.33Å; S790-L792 PolarHBondContact O-N 3.42Å; L792-V808 HydrophobicContact CD2-CG1 4.33Å; L792-I811 HydrophobicContact CD2-CB 4.28Å; L792-I811 HydrophobicContact CD2-CG2 3.7Å; L792-I811 HydrophobicContact CG-CG2 4.17Å; L792-L812 HydrophobicContact CD1-CD2 4.05Å; L792-L812 HydrophobicContact CD2-CD2 3.66Å; L792-L812 HydrophobicContact CD2-CG 3.84Å; L792-I815 HydrophobicContact CD1-CD1 3.84Å; L792-I815 HydrophobicContact CG-CD1 4.35Å; L792-K837 HydrophobicContact CB-CD 3.8Å; L792-K837 PolarHBondContact O-NZ 3.15Å; L792-L838 HydrophobicContact CD1-CD2 4.12Å; L792-L838 HydrophobicContact CD1-CG 4.48Å; L792-I841 HydrophobicContact CB-CD1 4.3Å; L792-I841 HydrophobicContact CD2-CD1 4.34Å
793	P	84.3	Confident	76.7	Confident	44 Å²	44	69.2 Å²	69.2	29%	0.286	36%	0.361	S	S	.	.			trans	-63.6	150.1	178.6	25	-34.1	0	0	0	113	V808 I841	P793-V808 HydrophobicContact CG-CG1 4.39Å; P793-I841 HydrophobicContact CG-CD1 3.96Å; P793-I841 HydrophobicContact CG-CG1 3.99Å
794	S	71	Confident	76.6	Confident	31 Å²	31	70.6 Å²	70.6	22%	0.217	37%	0.37	C	S	.	.			trans	-119	120	-178.6	-62.6	0	0	0	0	110.1	Q796 Q797 K837	S794-Q796 PolarHBondContact O-N 2.71Å; S794-Q797 PolarHBondContact O-N 3.26Å; S794-Q797 VanDerWaalsContact O-O 3.06Å; S794-K837 WeakPolarHBondContact OG-CE 3.38Å; S794-K837 PolarHBondContact OG-NZ 2.93Å
795	G	57.3	Low	76.5	Confident	66 Å²	66	73.8 Å²	73.8	68%	0.68	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-3.7	-170.6	0	0	0	0	0	117.9
796	Q	50.2	Low	76.5	Confident	201 Å²	201	75.1 Å²	75.1	94%	0.939	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.3	-0.4	178	-70.5	-165.6	-16.9	0	0	115	S794	S794-Q796 PolarHBondContact O-N 2.71Å
797	Q	45	Very low	76.5	Confident	146 Å²	146	67.5 Å²	67.5	68%	0.682	36%	0.364	S	S	*	.	S	Bend	trans	-108.9	142.3	170.3	-70.9	179.3	-15.4	0	0	107.8	S794 P799	S794-Q797 PolarHBondContact O-N 3.26Å; S794-Q797 VanDerWaalsContact O-O 3.06Å; Q797-P799 VanDerWaalsContact O-N 3.17Å
798	R	42.1	Very low	76.5	Confident	247 Å²	247	67.3 Å²	67.3	93%	0.932	36%	0.363	S	S	*	.			trans	-52	126.6	165.7	-67.6	-177.9	-179.2	178.7	-0.5	106.9	A800	R798-A800 PolarHBondContact O-N 3.02Å
799	P	49.7	Very low	76.6	Confident	59 Å²	59	67.7 Å²	67.7	38%	0.383	37%	0.365	S	S	.	.			trans	-60.9	141	-172.8	27.8	-36.8	0	0	0	109.2	Q797 K801 N802	Q797-P799 VanDerWaalsContact O-N 3.17Å; P799-K801 PolarHBondContact O-N 3.23Å; P799-K801 VanDerWaalsContact O-N 3.15Å; P799-N802 WeakPolarHBondContact CG-OD1 3.08Å
800	A	54	Low	76.8	Confident	91 Å²	91	67.9 Å²	67.9	75%	0.752	37%	0.367	S	S	*	.	S	Bend	trans	-59	-29.8	-177.9	0	0	0	0	0	111.9	R798	R798-A800 PolarHBondContact O-N 3.02Å
801	K	64.8	Low	77	Confident	53 Å²	53	65.2 Å²	65.2	23%	0.23	35%	0.349	C	S	.	.	S	Bend	trans	-145.8	141.9	169.2	-52.6	-171.9	-170.2	-137.8	0	108.8	R753 S754 D755 P799 L803	R753-K801 PolarHBondContact O-NZ 2.93Å; S754-K801 PolarHBondContact O-NZ 3.29Å; D755-K801 IonicContact OD1-NZ 3.94Å; D755-K801 PolarHBondContact OD1-NZ 3.12Å; P799-K801 PolarHBondContact O-N 3.23Å; P799-K801 VanDerWaalsContact O-N 3.15Å; K801-L803 VanDerWaalsContact C-N 3.31Å; K801-L803 HydrophobicContact CB-CD2 3.97Å; K801-L803 HydrophobicContact CB-CG 4.16Å; K801-L803 PolarHBondContact O-N 2.94Å
802	N	71.9	Confident	77.3	Confident	150 Å²	150	64.4 Å²	64.4	80%	0.802	34%	0.344	S	S	*	.			trans	-78.4	81.2	169.3	-74.5	-12.8	0	0	0	108.9	P799	P799-N802 WeakPolarHBondContact CG-OD1 3.08Å
803	L	85.5	Confident	77.7	Confident	29 Å²	29	65.8 Å²	65.8	15%	0.152	35%	0.352	C	S	.	.			trans	-78	152	176.1	-60.1	-177.1	0	0	0	111.4	D757 V760 N791 K801 T807 V808 I811	D757-L803 HydrophobicContact CB-CD2 4.25Å; D757-L803 WeakPolarHBondContact OD1-CA 3.2Å; V760-L803 HydrophobicContact CG1-CD1 4.41Å; N791-L803 HydrophobicContact CB-CD1 3.92Å; K801-L803 VanDerWaalsContact C-N 3.31Å; K801-L803 HydrophobicContact CB-CD2 3.97Å; K801-L803 HydrophobicContact CB-CG 4.16Å; K801-L803 PolarHBondContact O-N 2.94Å; L803-T807 HydrophobicContact CB-CG2 4.32Å; L803-T807 HydrophobicContact CD1-CG2 4.05Å; L803-T807 HydrophobicContact CD2-CG2 4.44Å; L803-V808 HydrophobicContact CB-CG2 4.24Å; L803-I811 HydrophobicContact CD1-CD1 3.86Å
804	E	91.1	Very high	78.3	Confident	110 Å²	110	63.7 Å²	63.7	51%	0.514	34%	0.338	S	S	.	.			trans	-75.5	153.8	176	-67.2	-177.9	-160.3	0	0	111.9	D757 R761 D806 T807 V808	D757-E804 PolarHBondContact OD1-N 3.43Å; R761-E804 IonicContact CZ-OE2 2.7Å; R761-E804 IonicContact NH1-OE2 3.6Å; R761-E804 VanDerWaalsContact NH2-CD 3.28Å; R761-E804 IonicContact NH2-OE1 3.5Å; R761-E804 IonicContact NH2-OE2 3.38Å; R761-E804 PolarHBondContact NH2-OE2 3.25Å; E804-D806 VanDerWaalsContact C-N 3.26Å; E804-D806 PolarHBondContact O-N 3.11Å; E804-T807 WeakPolarHBondContact O-CA 3.23Å; E804-T807 WeakPolarHBondContact O-CB 3.38Å; E804-T807 PolarHBondContact O-N 2.84Å; E804-V808 PolarHBondContact O-N 3.16Å
805	E	92.8	Very high	79.6	Confident	67 Å²	67	62.2 Å²	62.2	31%	0.313	33%	0.328	S	S	.	.	H	α-helix	trans	-51.4	-43.2	-179.7	-171.1	-159	169.1	0	0	112.4	T807 V808 V809 S847 R849 E850	E805-T807 VanDerWaalsContact C-N 3.28Å; E805-T807 PolarHBondContact O-N 3.22Å; E805-V808 PolarHBondContact O-N 3.21Å; E805-V809 WeakPolarHBondContact O-CB 3.32Å; E805-V809 VanDerWaalsContact O-CG2 3.25Å; E805-V809 WeakPolarHBondContact O-CG2 3.35Å; E805-V809 PolarHBondContact O-N 3.38Å; E805-S847 VanDerWaalsContact CD-OG 3.31Å; E805-S847 VanDerWaalsContact OE1-CB 3.3Å; E805-S847 WeakPolarHBondContact OE1-CB 3.35Å; E805-S847 PolarHBondContact OE1-OG 3.17Å; E805-R849 VanDerWaalsContact CD-NE 3.32Å; E805-R849 WeakPolarHBondContact OE1-CB 3.37Å; E805-R849 IonicContact OE1-CZ 2.83Å; E805-R849 IonicContact OE1-NE 2.71Å; E805-R849 PolarHBondContact OE1-NE 3.48Å; E805-R849 IonicContact OE1-NH2 3.5Å; E805-R849 PolarHBondContact OE1-NH2 2.91Å; E805-R849 IonicContact OE2-CZ 2.72Å; E805-R849 IonicContact OE2-NE 3.55Å; E805-R849 PolarHBondContact OE2-NE 2.83Å; E805-R849 IonicContact OE2-NH2 3.71Å; E805-R849 PolarHBondContact OE2-NH2 2.73Å; E805-E850 HydrophobicContact CG-CG 4Å
806	D	94.4	Very high	81.6	Confident	33 Å²	33	61.1 Å²	61.1	18%	0.176	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-37	176.6	-82.4	-1.1	0	0	0	112.7	R761 E804 A810 R849 T903	R761-D806 IonicContact NH1-OD2 3.24Å; R761-D806 PolarHBondContact NH1-OD2 3.46Å; E804-D806 VanDerWaalsContact C-N 3.26Å; E804-D806 PolarHBondContact O-N 3.11Å; D806-A810 VanDerWaalsContact O-CB 3.29Å; D806-A810 WeakPolarHBondContact O-CB 3.42Å; D806-A810 PolarHBondContact O-N 3.43Å; D806-R849 IonicContact OD1-CZ 3.81Å; D806-R849 IonicContact OD1-NH1 3.37Å; D806-R849 PolarHBondContact OD1-NH1 3.02Å; D806-R849 IonicContact OD1-NH2 3.24Å; D806-R849 PolarHBondContact OD1-NH2 2.96Å; D806-T903 HydrophobicContact CB-CG2 4.47Å
807	T	95.7	Very high	83.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-74.1	-42.5	179.2	-55.2	0	0	0	0	110.7	D757 V760 R761 L803 E804 E805 V809 A810 I811	D757-T807 WeakPolarHBondContact OD1-CB 3.34Å; D757-T807 WeakPolarHBondContact OD1-CG2 3.47Å; D757-T807 PolarHBondContact OD1-OG1 2.87Å; D757-T807 PolarHBondContact OD2-OG1 3.11Å; V760-T807 HydrophobicContact CB-CG2 4.24Å; V760-T807 HydrophobicContact CG1-CG2 3.93Å; R761-T807 HydrophobicContact CB-CG2 4.11Å; R761-T807 PolarHBondContact NE-OG1 2.89Å; R761-T807 PolarHBondContact NH2-OG1 3.31Å; L803-T807 HydrophobicContact CB-CG2 4.32Å; L803-T807 HydrophobicContact CD1-CG2 4.05Å; L803-T807 HydrophobicContact CD2-CG2 4.44Å; E804-T807 WeakPolarHBondContact O-CA 3.23Å; E804-T807 WeakPolarHBondContact O-CB 3.38Å; E804-T807 PolarHBondContact O-N 2.84Å; E805-T807 VanDerWaalsContact C-N 3.28Å; E805-T807 PolarHBondContact O-N 3.22Å; T807-V809 VanDerWaalsContact C-N 3.35Å; T807-V809 PolarHBondContact O-N 2.94Å; T807-A810 WeakPolarHBondContact O-CB 3.5Å; T807-A810 PolarHBondContact O-N 3.14Å; T807-I811 HydrophobicContact CG2-CD1 4.11Å; T807-I811 WeakPolarHBondContact O-CD1 3.22Å; T807-I811 VanDerWaalsContact O-CG1 3.27Å; T807-I811 WeakPolarHBondContact O-CG1 3.43Å; T807-I811 PolarHBondContact O-N 3.14Å
808	V	94.9	Very high	86.3	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-44.8	172.8	-179.7	0	0	0	0	110.4	L792 P793 L803 E804 E805 A810 I811 L812 E850	L792-V808 HydrophobicContact CD2-CG1 4.33Å; P793-V808 HydrophobicContact CG-CG1 4.39Å; L803-V808 HydrophobicContact CB-CG2 4.24Å; E804-V808 PolarHBondContact O-N 3.16Å; E805-V808 PolarHBondContact O-N 3.21Å; V808-A810 PolarHBondContact O-N 3.33Å; V808-I811 PolarHBondContact O-N 3.4Å; V808-L812 HydrophobicContact CG1-CD1 3.95Å; V808-L812 HydrophobicContact CG1-CG 4.41Å; V808-L812 WeakPolarHBondContact O-CB 3.2Å; V808-L812 VanDerWaalsContact O-CG 3.24Å; V808-L812 WeakPolarHBondContact O-CG 3.43Å; V808-L812 PolarHBondContact O-N 2.91Å; V808-E850 HydrophobicContact CB-CG 4.28Å; V808-E850 WeakPolarHBondContact CB-OE1 3.39Å; V808-E850 HydrophobicContact CG1-CG 3.95Å
809	V	96	Very high	88.9	Confident	9 Å²	9	35.1 Å²	35.1	6%	0.055	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-40.5	174.5	169.6	0	0	0	0	111.8	E805 T807 L812 N813 R849 E850	E805-V809 WeakPolarHBondContact O-CB 3.32Å; E805-V809 VanDerWaalsContact O-CG2 3.25Å; E805-V809 WeakPolarHBondContact O-CG2 3.35Å; E805-V809 PolarHBondContact O-N 3.38Å; T807-V809 VanDerWaalsContact C-N 3.35Å; T807-V809 PolarHBondContact O-N 2.94Å; V809-L812 PolarHBondContact O-N 3.02Å; V809-N813 WeakPolarHBondContact CG1-ND2 3.25Å; V809-N813 VanDerWaalsContact O-CB 3.31Å; V809-N813 WeakPolarHBondContact O-CB 3.32Å; V809-N813 VanDerWaalsContact O-CG 3.26Å; V809-N813 PolarHBondContact O-N 3.06Å; V809-N813 PolarHBondContact O-ND2 3.3Å; V809-R849 HydrophobicContact CG2-CB 3.74Å; V809-E850 HydrophobicContact CG2-CG 3.9Å
810	A	97.4	Very high	91.1	Very high	8 Å²	8	33.7 Å²	33.7	7%	0.066	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-46.4	174.7	0	0	0	0	0	111.8	R761 A764 I765 D806 T807 V808 N813 T814	R761-A810 HydrophobicContact CG-CB 4.29Å; A764-A810 HydrophobicContact CB-CB 4.37Å; I765-A810 HydrophobicContact CD1-CB 4.3Å; I765-A810 HydrophobicContact CG1-CB 3.85Å; D806-A810 VanDerWaalsContact O-CB 3.29Å; D806-A810 WeakPolarHBondContact O-CB 3.42Å; D806-A810 PolarHBondContact O-N 3.43Å; T807-A810 WeakPolarHBondContact O-CB 3.5Å; T807-A810 PolarHBondContact O-N 3.14Å; V808-A810 PolarHBondContact O-N 3.33Å; A810-N813 PolarHBondContact O-N 3.15Å; A810-T814 WeakPolarHBondContact O-CB 3.34Å; A810-T814 PolarHBondContact O-N 2.67Å; A810-T814 PolarHBondContact O-OG1 2.98Å
811	I	97.4	Very high	93	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-46.6	176.7	-65.9	159.3	0	0	0	110.7	V760 A764 L788 N791 L792 L803 T807 V808 N813 T814 I815	V760-I811 HydrophobicContact CG1-CD1 4.17Å; A764-I811 HydrophobicContact CB-CG1 4.12Å; L788-I811 HydrophobicContact CB-CG2 4.35Å; L788-I811 HydrophobicContact CD2-CG2 4.31Å; L788-I811 WeakPolarHBondContact O-CG2 3.15Å; N791-I811 HydrophobicContact CB-CD1 3.73Å; L792-I811 HydrophobicContact CD2-CB 4.28Å; L792-I811 HydrophobicContact CD2-CG2 3.7Å; L792-I811 HydrophobicContact CG-CG2 4.17Å; L803-I811 HydrophobicContact CD1-CD1 3.86Å; T807-I811 HydrophobicContact CG2-CD1 4.11Å; T807-I811 WeakPolarHBondContact O-CD1 3.22Å; T807-I811 VanDerWaalsContact O-CG1 3.27Å; T807-I811 WeakPolarHBondContact O-CG1 3.43Å; T807-I811 PolarHBondContact O-N 3.14Å; V808-I811 PolarHBondContact O-N 3.4Å; I811-N813 PolarHBondContact O-N 3.21Å; I811-T814 WeakPolarHBondContact O-CB 3.28Å; I811-T814 PolarHBondContact O-N 2.68Å; I811-T814 VanDerWaalsContact O-N 3.11Å; I811-I815 HydrophobicContact CG2-CD1 3.91Å; I811-I815 HydrophobicContact CG2-CG1 4.49Å; I811-I815 WeakPolarHBondContact O-CG1 3.48Å; I811-I815 PolarHBondContact O-N 2.87Å
812	L	97.4	Very high	94.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-43.2	177.7	-70.6	169.6	0	0	0	112.1	L792 V808 V809 T814 I815 H816 L838 I841 E850 A853 A854 V857	L792-L812 HydrophobicContact CD1-CD2 4.05Å; L792-L812 HydrophobicContact CD2-CD2 3.66Å; L792-L812 HydrophobicContact CD2-CG 3.84Å; V808-L812 HydrophobicContact CG1-CD1 3.95Å; V808-L812 HydrophobicContact CG1-CG 4.41Å; V808-L812 WeakPolarHBondContact O-CB 3.2Å; V808-L812 VanDerWaalsContact O-CG 3.24Å; V808-L812 WeakPolarHBondContact O-CG 3.43Å; V808-L812 PolarHBondContact O-N 2.91Å; V809-L812 PolarHBondContact O-N 3.02Å; L812-T814 VanDerWaalsContact C-N 3.29Å; L812-T814 PolarHBondContact O-N 2.7Å; L812-I815 PolarHBondContact O-N 3.43Å; L812-H816 WeakPolarHBondContact O-CB 3.45Å; L812-H816 PolarHBondContact O-N 2.99Å; L812-L838 HydrophobicContact CD2-CD2 3.4Å; L812-I841 HydrophobicContact CD1-CG2 4.35Å; L812-I841 HydrophobicContact CD2-CD1 4.48Å; L812-E850 HydrophobicContact CD1-CB 4.35Å; L812-A853 HydrophobicContact CB-CB 3.68Å; L812-A853 HydrophobicContact CD1-CB 3.96Å; L812-A853 HydrophobicContact CG-CB 4.46Å; L812-A854 HydrophobicContact CD1-CB 4.2Å; L812-A854 HydrophobicContact CD2-CB 4.16Å; L812-V857 WeakPolarHBondContact O-CG2 3.38Å
813	N	98.1	Very high	95.6	Very high	33 Å²	33	28.8 Å²	28.8	18%	0.176	15%	0.151	C	C	.	.	H	α-helix	trans	-67	-28.9	174.8	-74.9	-30.8	0	0	0	112.9	R768 V809 A810 I811 E817	R768-N813 PolarHBondContact NE-O 3.47Å; V809-N813 WeakPolarHBondContact CG1-ND2 3.25Å; V809-N813 VanDerWaalsContact O-CB 3.31Å; V809-N813 WeakPolarHBondContact O-CB 3.32Å; V809-N813 VanDerWaalsContact O-CG 3.26Å; V809-N813 PolarHBondContact O-N 3.06Å; V809-N813 PolarHBondContact O-ND2 3.3Å; A810-N813 PolarHBondContact O-N 3.15Å; I811-N813 PolarHBondContact O-N 3.21Å; N813-E817 PolarHBondContact O-N 2.98Å; N813-E817 VanDerWaalsContact O-N 3.15Å
814	T	98.3	Very high	96.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-71.3	-49.5	175.3	-56.5	0	0	0	0	110.6	A764 L767 R768 L788 A810 I811 L812 H816 E817 I818	A764-T814 WeakPolarHBondContact O-CG2 3.4Å; A764-T814 PolarHBondContact O-OG1 3.49Å; L767-T814 HydrophobicContact CB-CG2 4.18Å; R768-T814 HydrophobicContact CB-CG2 4.03Å; L788-T814 HydrophobicContact CD1-CG2 4.19Å; L788-T814 HydrophobicContact CD2-CG2 4.02Å; A810-T814 WeakPolarHBondContact O-CB 3.34Å; A810-T814 PolarHBondContact O-N 2.67Å; A810-T814 PolarHBondContact O-OG1 2.98Å; I811-T814 WeakPolarHBondContact O-CB 3.28Å; I811-T814 PolarHBondContact O-N 2.68Å; I811-T814 VanDerWaalsContact O-N 3.11Å; L812-T814 VanDerWaalsContact C-N 3.29Å; L812-T814 PolarHBondContact O-N 2.7Å; T814-H816 VanDerWaalsContact C-N 3.3Å; T814-H816 PolarHBondContact O-N 3.35Å; T814-E817 PolarHBondContact O-N 3.15Å; T814-I818 HydrophobicContact CG2-CD1 3.82Å; T814-I818 WeakPolarHBondContact O-CD1 3.37Å; T814-I818 VanDerWaalsContact O-CG1 3.27Å; T814-I818 WeakPolarHBondContact O-CG1 3.45Å; T814-I818 PolarHBondContact O-N 3.15Å
815	I	98.2	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.2	-45.4	173	-68.4	168	0	0	0	110.3	M785 L788 V789 L792 I811 L812 E817 I818 V819 L829 V857	M785-I815 HydrophobicContact SD-CG2 4.43Å; L788-I815 HydrophobicContact CB-CD1 4.12Å; L788-I815 HydrophobicContact CB-CG1 3.97Å; L788-I815 HydrophobicContact CD1-CG1 4.18Å; V789-I815 HydrophobicContact CG2-CD1 4.15Å; L792-I815 HydrophobicContact CD1-CD1 3.84Å; L792-I815 HydrophobicContact CG-CD1 4.35Å; I811-I815 HydrophobicContact CG2-CD1 3.91Å; I811-I815 HydrophobicContact CG2-CG1 4.49Å; I811-I815 WeakPolarHBondContact O-CG1 3.48Å; I811-I815 PolarHBondContact O-N 2.87Å; L812-I815 PolarHBondContact O-N 3.43Å; I815-E817 PolarHBondContact O-N 3.33Å; I815-I818 PolarHBondContact O-N 3.36Å; I815-V819 WeakPolarHBondContact O-CG2 3.48Å; I815-V819 PolarHBondContact O-N 2.86Å; I815-L829 HydrophobicContact CG2-CD1 3.65Å; I815-L829 HydrophobicContact CG2-CD2 3.77Å; I815-L829 HydrophobicContact CG2-CG 4.37Å; I815-V857 HydrophobicContact CG2-CG1 3.78Å; I815-V857 HydrophobicContact CG2-CG2 4.21Å
816	H	97.8	Very high	96.6	Very high	43 Å²	43	24 Å²	24	20%	0.199	13%	0.128	C	C	.	.	H	α-helix	trans	-56	-47.2	177.9	-178	-95.8	0	0	0	112.2	L812 T814 V819 T820 V857 T860	L812-H816 WeakPolarHBondContact O-CB 3.45Å; L812-H816 PolarHBondContact O-N 2.99Å; T814-H816 VanDerWaalsContact C-N 3.3Å; T814-H816 PolarHBondContact O-N 3.35Å; H816-V819 PolarHBondContact O-N 2.94Å; H816-T820 PolarHBondContact CE1-OG1 3.3Å; H816-T820 WeakPolarHBondContact O-CB 3.44Å; H816-T820 PolarHBondContact O-N 3.06Å; H816-T820 PolarHBondContact O-OG1 2.93Å; H816-V857 HydrophobicContact CB-CG2 3.81Å; H816-T860 PolarHBondContact NE2-OG1 3.38Å
817	E	97.5	Very high	96.6	Very high	47 Å²	47	25.9 Å²	25.9	22%	0.22	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-44.9	177.4	-170	55.5	-120	0	0	111.3	R768 K777 N813 T814 I815 V819 T820	R768-E817 HydrophobicContact CG-CB 3.95Å; R768-E817 HydrophobicContact CG-CG 4.29Å; K777-E817 VanDerWaalsContact CE-O 3.27Å; K777-E817 WeakPolarHBondContact CE-O 3.44Å; K777-E817 PolarHBondContact NZ-O 3.13Å; K777-E817 IonicContact NZ-OE1 3.75Å; K777-E817 PolarHBondContact NZ-OE1 2.7Å; N813-E817 PolarHBondContact O-N 2.98Å; N813-E817 VanDerWaalsContact O-N 3.15Å; T814-E817 PolarHBondContact O-N 3.15Å; I815-E817 PolarHBondContact O-N 3.33Å; E817-V819 VanDerWaalsContact C-N 3.32Å; E817-V819 PolarHBondContact O-N 3.35Å; E817-T820 PolarHBondContact O-N 3.38Å
818	I	97.3	Very high	96.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-37.3	-179	-65.7	159.1	0	0	0	112.2	I780 M785 L788 T814 I815 N825	I780-I818 HydrophobicContact CG2-CD1 3.56Å; I780-I818 HydrophobicContact CG2-CG1 4.08Å; M785-I818 HydrophobicContact CE-CB 4.41Å; M785-I818 HydrophobicContact CE-CG2 3.59Å; L788-I818 HydrophobicContact CD1-CD1 3.49Å; L788-I818 VanDerWaalsContact CD1-CD1 3.49Å; T814-I818 HydrophobicContact CG2-CD1 3.82Å; T814-I818 WeakPolarHBondContact O-CD1 3.37Å; T814-I818 VanDerWaalsContact O-CG1 3.27Å; T814-I818 WeakPolarHBondContact O-CG1 3.45Å; T814-I818 PolarHBondContact O-N 3.15Å; I815-I818 PolarHBondContact O-N 3.36Å; I818-N825 HydrophobicContact CG2-CB 4.09Å; I818-N825 WeakPolarHBondContact O-CB 3.29Å; I818-N825 PolarHBondContact O-ND2 3.41Å
819	V	97.3	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-91.9	-2.6	178.3	-52.2	0	0	0	0	114.5	M785 I815 H816 E817 N825 A826 L829 T860 Y864	M785-V819 HydrophobicContact CE-CG1 3.86Å; I815-V819 WeakPolarHBondContact O-CG2 3.48Å; I815-V819 PolarHBondContact O-N 2.86Å; H816-V819 PolarHBondContact O-N 2.94Å; E817-V819 VanDerWaalsContact C-N 3.32Å; E817-V819 PolarHBondContact O-N 3.35Å; V819-N825 HydrophobicContact CG1-CB 4.3Å; V819-A826 HydrophobicContact CB-CB 4.18Å; V819-A826 HydrophobicContact CG1-CB 4.44Å; V819-L829 HydrophobicContact CG1-CB 4.11Å; V819-L829 HydrophobicContact CG1-CD2 3.82Å; V819-L829 HydrophobicContact CG2-CD2 4.47Å; V819-T860 HydrophobicContact CG2-CG2 4Å; V819-Y864 PolarHBondContact O-OH 2.69Å
820	T	96.1	Very high	96.6	Very high	30 Å²	30	27.4 Å²	27.4	18%	0.184	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	126.1	172.3	-64.6	0	0	0	0	109.6	K777 H816 E817 S822	K777-T820 PolarHBondContact NZ-O 3.38Å; H816-T820 PolarHBondContact CE1-OG1 3.3Å; H816-T820 WeakPolarHBondContact O-CB 3.44Å; H816-T820 PolarHBondContact O-N 3.06Å; H816-T820 PolarHBondContact O-OG1 2.93Å; E817-T820 PolarHBondContact O-N 3.38Å; T820-S822 PolarHBondContact O-N 3.09Å
821	D	93.4	Very high	96.5	Very high	147 Å²	147	33.3 Å²	33.3	79%	0.786	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	19.1	-176.4	-56.3	-43.3	0	0	0	116.1	Y864	D821-Y864 PolarHBondContact N-OH 3.42Å; D821-Y864 VanDerWaalsContact N-OH 3.09Å
822	S	95.9	Very high	96.3	Very high	12 Å²	12	34.5 Å²	34.5	8%	0.084	18%	0.178	C	C	.	.			trans	-136.7	106.7	171	-177.7	0	0	0	0	111.8	T820 E824 N825 A826 Y864	T820-S822 PolarHBondContact O-N 3.09Å; S822-E824 VanDerWaalsContact C-N 3.32Å; S822-N825 PolarHBondContact OG-N 3.29Å; S822-A826 PolarHBondContact O-N 3.33Å; S822-Y864 PolarHBondContact N-OH 3.06Å; S822-Y864 VanDerWaalsContact N-OH 3.07Å
823	S	95.3	Very high	96	Very high	31 Å²	31	41.1 Å²	41.1	22%	0.217	21%	0.209	C	C	.	.	H	α-helix	trans	-74.8	-21.2	176	69.9	0	0	0	0	113.1	R827 E866	S823-R827 PolarHBondContact O-N 2.9Å; S823-E866 VanDerWaalsContact CB-OE1 3.23Å; S823-E866 WeakPolarHBondContact CB-OE1 3.45Å; S823-E866 PolarHBondContact OG-OE1 3.16Å
824	E	95.8	Very high	95.8	Very high	103 Å²	103	39.5 Å²	39.5	48%	0.481	20%	0.2	S	C	.	.	H	α-helix	trans	-68	-49.1	172	-161.8	63	-112.9	0	0	110.3	S822 A826 R827 S828	S822-E824 VanDerWaalsContact C-N 3.32Å; E824-A826 VanDerWaalsContact C-N 3.27Å; E824-A826 PolarHBondContact O-N 2.86Å; E824-R827 CarbonylContact O-C 3.45Å; E824-R827 WeakPolarHBondContact O-CA 3.5Å; E824-R827 WeakPolarHBondContact O-CB 3.35Å; E824-R827 PolarHBondContact O-N 3.49Å; E824-R827 IonicContact OE1-CZ 3.98Å; E824-R827 IonicContact OE1-NH1 3.8Å; E824-R827 PolarHBondContact OE1-NH1 3.45Å; E824-R827 IonicContact OE2-CZ 3.77Å; E824-R827 IonicContact OE2-NH1 2.75Å; E824-R827 PolarHBondContact OE2-NH1 3.28Å; E824-S828 PolarHBondContact O-N 3.06Å; E824-S828 PolarHBondContact O-OG 3.19Å
825	N	96.7	Very high	95.6	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-36.7	175.5	-69.9	-5.8	0	0	0	112	K777 M785 I818 V819 S822 R827 S828 L829	K777-N825 PolarHBondContact O-ND2 2.79Å; M785-N825 HydrophobicContact CE-CB 4.48Å; I818-N825 HydrophobicContact CG2-CB 4.09Å; I818-N825 WeakPolarHBondContact O-CB 3.29Å; I818-N825 PolarHBondContact O-ND2 3.41Å; V819-N825 HydrophobicContact CG1-CB 4.3Å; S822-N825 PolarHBondContact OG-N 3.29Å; N825-R827 VanDerWaalsContact C-N 3.27Å; N825-R827 PolarHBondContact O-N 2.98Å; N825-S828 PolarHBondContact O-N 3.29Å; N825-L829 WeakPolarHBondContact O-CB 3.41Å; N825-L829 PolarHBondContact O-N 3.46Å
826	A	96.8	Very high	95.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-30.1	172	0	0	0	0	0	112.7	V819 S822 E824 I830 V861 Y864 L867	V819-A826 HydrophobicContact CB-CB 4.18Å; V819-A826 HydrophobicContact CG1-CB 4.44Å; S822-A826 PolarHBondContact O-N 3.33Å; E824-A826 VanDerWaalsContact C-N 3.27Å; E824-A826 PolarHBondContact O-N 2.86Å; A826-I830 WeakPolarHBondContact O-CG1 3.48Å; A826-I830 PolarHBondContact O-N 2.86Å; A826-V861 HydrophobicContact CB-CG2 4.44Å; A826-Y864 HydrophobicContact CB-CD2 3.67Å; A826-Y864 HydrophobicContact CB-CE2 3.6Å; A826-L867 HydrophobicContact CB-CD1 3.56Å
827	R	95.5	Very high	95	Very high	71 Å²	71	46 Å²	46	27%	0.268	23%	0.231	S	C	.	.	H	α-helix	trans	-72.3	-41.4	171.8	-164.6	177.4	-60.4	118.2	7.5	111.8	S823 E824 N825 L829 I830 Q831 E866 L867	S823-R827 PolarHBondContact O-N 2.9Å; E824-R827 CarbonylContact O-C 3.45Å; E824-R827 WeakPolarHBondContact O-CA 3.5Å; E824-R827 WeakPolarHBondContact O-CB 3.35Å; E824-R827 PolarHBondContact O-N 3.49Å; E824-R827 IonicContact OE1-CZ 3.98Å; E824-R827 IonicContact OE1-NH1 3.8Å; E824-R827 PolarHBondContact OE1-NH1 3.45Å; E824-R827 IonicContact OE2-CZ 3.77Å; E824-R827 IonicContact OE2-NH1 2.75Å; E824-R827 PolarHBondContact OE2-NH1 3.28Å; N825-R827 VanDerWaalsContact C-N 3.27Å; N825-R827 PolarHBondContact O-N 2.98Å; R827-L829 VanDerWaalsContact C-N 3.29Å; R827-L829 PolarHBondContact O-N 3.19Å; R827-I830 PolarHBondContact O-N 2.94Å; R827-Q831 WeakPolarHBondContact O-CG 3.47Å; R827-Q831 PolarHBondContact O-N 3.21Å; R827-E866 IonicContact NH2-OE1 2.94Å; R827-E866 PolarHBondContact NH2-OE1 3.38Å; R827-L867 HydrophobicContact CB-CD2 4.13Å; R827-L867 HydrophobicContact CG-CD2 4.27Å
828	S	96.5	Very high	94.9	Very high	21 Å²	21	43.8 Å²	43.8	15%	0.147	22%	0.22	C	C	.	.	H	α-helix	trans	-60.2	-37.9	172.1	-51.2	0	0	0	0	112	E824 N825 Q831 A832	E824-S828 PolarHBondContact O-N 3.06Å; E824-S828 PolarHBondContact O-OG 3.19Å; N825-S828 PolarHBondContact O-N 3.29Å; S828-Q831 PolarHBondContact O-N 2.96Å; S828-A832 WeakPolarHBondContact O-CB 3.43Å; S828-A832 PolarHBondContact O-N 3.17Å
829	L	96.6	Very high	94.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-39	174.5	-179.9	66.7	0	0	0	112.5	M785 V789 I815 V819 N825 R827 A834 L838 V857 V861	M785-L829 HydrophobicContact CE-CB 4.13Å; M785-L829 HydrophobicContact CG-CB 4.18Å; M785-L829 HydrophobicContact CG-CD1 4.25Å; M785-L829 HydrophobicContact SD-CB 3.9Å; M785-L829 HydrophobicContact SD-CD1 3.55Å; M785-L829 VanDerWaalsContact SD-CD1 3.55Å; M785-L829 HydrophobicContact SD-CG 4.3Å; V789-L829 HydrophobicContact CG2-CD1 3.71Å; I815-L829 HydrophobicContact CG2-CD1 3.65Å; I815-L829 HydrophobicContact CG2-CD2 3.77Å; I815-L829 HydrophobicContact CG2-CG 4.37Å; V819-L829 HydrophobicContact CG1-CB 4.11Å; V819-L829 HydrophobicContact CG1-CD2 3.82Å; V819-L829 HydrophobicContact CG2-CD2 4.47Å; N825-L829 WeakPolarHBondContact O-CB 3.41Å; N825-L829 PolarHBondContact O-N 3.46Å; R827-L829 VanDerWaalsContact C-N 3.29Å; R827-L829 PolarHBondContact O-N 3.19Å; L829-A834 HydrophobicContact CD1-CB 3.24Å; L829-A834 HydrophobicContact CG-CB 3.8Å; L829-A834 VanDerWaalsContact O-CB 3.3Å; L829-A834 WeakPolarHBondContact O-CB 3.2Å; L829-A834 PolarHBondContact O-N 3.33Å; L829-L838 HydrophobicContact CD2-CD1 4.25Å; L829-V857 HydrophobicContact CD2-CG1 3.63Å; L829-V861 HydrophobicContact CD2-CG2 3.66Å
830	I	94.2	Very high	94.3	Very high	26 Å²	26	45.4 Å²	45.4	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-67.3	-46.2	174	-65.5	164.4	0	0	0	110.4	A826 R827 A832 Q833 I835 V861 L867 L871	A826-I830 WeakPolarHBondContact O-CG1 3.48Å; A826-I830 PolarHBondContact O-N 2.86Å; R827-I830 PolarHBondContact O-N 2.94Å; I830-A832 VanDerWaalsContact C-N 3.25Å; I830-A832 PolarHBondContact O-N 3.15Å; I830-Q833 PolarHBondContact O-N 2.94Å; I830-Q833 PolarHBondContact O-NE2 3.47Å; I830-I835 HydrophobicContact CG1-CD1 3.95Å; I830-I835 HydrophobicContact CG1-CG1 4.03Å; I830-V861 HydrophobicContact CD1-CG1 4.17Å; I830-V861 HydrophobicContact CG1-CG1 4.37Å; I830-L867 HydrophobicContact CD1-CB 4.15Å; I830-L867 HydrophobicContact CD1-CD1 3.99Å; I830-L867 HydrophobicContact CD1-CG 4.45Å; I830-L871 HydrophobicContact CD1-CD1 4.18Å; I830-L871 HydrophobicContact CD1-CD2 3.83Å; I830-L871 HydrophobicContact CD1-CG 4.02Å; I830-L871 HydrophobicContact CG1-CD2 4.02Å; I830-L871 HydrophobicContact CG2-CD2 4.34Å
831	Q	93.9	Very high	94.1	Very high	131 Å²	131	44.3 Å²	44.3	61%	0.612	23%	0.226	S	C	*	.	H	α-helix	trans	-58.6	-37.2	177.3	-71.6	168.8	-6.8	0	0	112.1	R827 S828 Q833	R827-Q831 WeakPolarHBondContact O-CG 3.47Å; R827-Q831 PolarHBondContact O-N 3.21Å; S828-Q831 PolarHBondContact O-N 2.96Å; Q831-Q833 PolarHBondContact O-N 3.3Å; Q831-Q833 VanDerWaalsContact O-N 3.1Å; Q831-Q833 PolarHBondContact O-NE2 3.05Å
832	A	93.4	Very high	93.9	Very high	25 Å²	25	37.5 Å²	37.5	21%	0.207	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	7.2	174.2	0	0	0	0	0	115	M785 V789 S828 I830 A834	M785-A832 HydrophobicContact CG-CB 4.2Å; V789-A832 HydrophobicContact CB-CB 4.42Å; V789-A832 WeakPolarHBondContact CG1-O 3.32Å; V789-A832 HydrophobicContact CG2-CB 4.28Å; S828-A832 WeakPolarHBondContact O-CB 3.43Å; S828-A832 PolarHBondContact O-N 3.17Å; I830-A832 VanDerWaalsContact C-N 3.25Å; I830-A832 PolarHBondContact O-N 3.15Å; A832-A834 PolarHBondContact O-N 2.75Å
833	Q	91.8	Very high	93.6	Very high	139 Å²	139	42.7 Å²	42.7	65%	0.65	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	24.5	179.5	-51.9	-53.6	-61.7	0	0	114.6	I830 Q831 I835	I830-Q833 PolarHBondContact O-N 2.94Å; I830-Q833 PolarHBondContact O-NE2 3.47Å; Q831-Q833 PolarHBondContact O-N 3.3Å; Q831-Q833 VanDerWaalsContact O-N 3.1Å; Q831-Q833 PolarHBondContact O-NE2 3.05Å; Q833-I835 VanDerWaalsContact C-N 3.32Å; Q833-I835 PolarHBondContact O-N 3.16Å
834	A	93.4	Very high	93.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-70.7	-24.4	-174.3	0	0	0	0	0	114.5	V789 L829 A832 E836 K837 L838	V789-A834 HydrophobicContact CB-CB 4.33Å; V789-A834 HydrophobicContact CG1-CB 3.69Å; V789-A834 HydrophobicContact CG2-CB 3.58Å; L829-A834 HydrophobicContact CD1-CB 3.24Å; L829-A834 HydrophobicContact CG-CB 3.8Å; L829-A834 VanDerWaalsContact O-CB 3.3Å; L829-A834 WeakPolarHBondContact O-CB 3.2Å; L829-A834 PolarHBondContact O-N 3.33Å; A832-A834 PolarHBondContact O-N 2.75Å; A834-E836 VanDerWaalsContact C-N 3.32Å; A834-E836 PolarHBondContact O-N 3.47Å; A834-K837 PolarHBondContact O-N 3.07Å; A834-L838 HydrophobicContact CB-CD1 4Å; A834-L838 WeakPolarHBondContact O-CB 3.49Å; A834-L838 VanDerWaalsContact O-CG 3.26Å; A834-L838 WeakPolarHBondContact O-CG 3.46Å; A834-L838 PolarHBondContact O-N 3.18Å
835	I	94.3	Very high	92.7	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.036	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-41.3	-170.9	-54.3	-54.9	0	0	0	111.4	I830 Q833 L838 V839 V861 L871 W876 F881	I830-I835 HydrophobicContact CG1-CD1 3.95Å; I830-I835 HydrophobicContact CG1-CG1 4.03Å; Q833-I835 VanDerWaalsContact C-N 3.32Å; Q833-I835 PolarHBondContact O-N 3.16Å; I835-L838 PolarHBondContact O-N 2.98Å; I835-V839 HydrophobicContact CG2-CG2 4.29Å; I835-V839 WeakPolarHBondContact O-CB 3.46Å; I835-V839 VanDerWaalsContact O-CG2 3.23Å; I835-V839 WeakPolarHBondContact O-CG2 3.39Å; I835-V839 PolarHBondContact O-N 2.98Å; I835-V861 HydrophobicContact CD1-CG1 4.17Å; I835-L871 HydrophobicContact CG1-CD2 4.1Å; I835-W876 HydrophobicContact CG2-CD2 3.72Å; I835-W876 HydrophobicContact CG2-CE3 4.12Å; I835-W876 HydrophobicContact CG2-CG 4.05Å; I835-W876 HydrophobicContact CG2-CZ2 4.2Å; I835-F881 HydrophobicContact CG2-CE1 3.96Å; I835-F881 HydrophobicContact CG2-CZ 3.93Å
836	E	91.9	Very high	92.2	Very high	137 Å²	137	52 Å²	52	64%	0.64	26%	0.257	S	S	*	.	H	α-helix	trans	-62.3	-49.1	176.7	-174.4	177	-165.1	0	0	111.8	A834 L838 V839 A840 W876	A834-E836 VanDerWaalsContact C-N 3.32Å; A834-E836 PolarHBondContact O-N 3.47Å; E836-L838 PolarHBondContact O-N 3.38Å; E836-V839 PolarHBondContact O-N 3.28Å; E836-A840 WeakPolarHBondContact O-CB 3.46Å; E836-A840 PolarHBondContact O-N 3.31Å; E836-W876 HydrophobicContact CB-CH2 4.12Å; E836-W876 HydrophobicContact CB-CZ2 4.1Å; E836-W876 HydrophobicContact CG-CH2 4.4Å
837	K	92.1	Very high	91.9	Very high	36 Å²	36	52.8 Å²	52.8	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-46.8	176.1	-64.9	-164.6	178.3	-162.9	0	112.1	V789 S790 L792 S794 A834 V839 A840 I841	V789-K837 HydrophobicContact CG1-CD 4.34Å; V789-K837 WeakPolarHBondContact O-CE 3.31Å; V789-K837 PolarHBondContact O-NZ 3.31Å; S790-K837 PolarHBondContact O-NZ 3.37Å; S790-K837 VanDerWaalsContact O-NZ 3.17Å; L792-K837 HydrophobicContact CB-CD 3.8Å; L792-K837 PolarHBondContact O-NZ 3.15Å; S794-K837 WeakPolarHBondContact OG-CE 3.38Å; S794-K837 PolarHBondContact OG-NZ 2.93Å; A834-K837 PolarHBondContact O-N 3.07Å; K837-V839 PolarHBondContact O-N 2.94Å; K837-A840 WeakPolarHBondContact O-CB 3.22Å; K837-A840 PolarHBondContact O-N 3.26Å; K837-I841 VanDerWaalsContact O-CG1 3.27Å; K837-I841 WeakPolarHBondContact O-CG1 3.5Å; K837-I841 PolarHBondContact O-N 3.01Å
838	L	94.3	Very high	91.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-41.5	-179.2	-71	166.3	0	0	0	111.9	L792 L812 L829 A834 I835 E836 N842 A854 V857 L858	L792-L838 HydrophobicContact CD1-CD2 4.12Å; L792-L838 HydrophobicContact CD1-CG 4.48Å; L812-L838 HydrophobicContact CD2-CD2 3.4Å; L829-L838 HydrophobicContact CD2-CD1 4.25Å; A834-L838 HydrophobicContact CB-CD1 4Å; A834-L838 WeakPolarHBondContact O-CB 3.49Å; A834-L838 VanDerWaalsContact O-CG 3.26Å; A834-L838 WeakPolarHBondContact O-CG 3.46Å; A834-L838 PolarHBondContact O-N 3.18Å; I835-L838 PolarHBondContact O-N 2.98Å; E836-L838 PolarHBondContact O-N 3.38Å; L838-N842 VanDerWaalsContact O-CB 3.27Å; L838-N842 WeakPolarHBondContact O-CB 3.37Å; L838-N842 PolarHBondContact O-N 3.46Å; L838-A854 HydrophobicContact CD2-CB 4.19Å; L838-V857 HydrophobicContact CD1-CB 4.39Å; L838-V857 HydrophobicContact CD1-CG1 3.61Å; L838-V857 HydrophobicContact CD2-CB 4.16Å; L838-V857 HydrophobicContact CD2-CG1 4.13Å; L838-V857 HydrophobicContact CD2-CG2 4.49Å; L838-L858 HydrophobicContact CB-CD1 4.27Å; L838-L858 HydrophobicContact CB-CD2 3.78Å; L838-L858 HydrophobicContact CB-CG 3.96Å; L838-L858 HydrophobicContact CD1-CD2 4.47Å
839	V	92.7	Very high	91.6	Very high	8 Å²	8	57.1 Å²	57.1	5%	0.048	29%	0.293	C	S	.	.	H	α-helix	trans	-68.7	-36.7	175.8	170.7	0	0	0	0	111.5	I835 E836 K837 R843 L858 W876 H880	I835-V839 HydrophobicContact CG2-CG2 4.29Å; I835-V839 WeakPolarHBondContact O-CB 3.46Å; I835-V839 VanDerWaalsContact O-CG2 3.23Å; I835-V839 WeakPolarHBondContact O-CG2 3.39Å; I835-V839 PolarHBondContact O-N 2.98Å; E836-V839 PolarHBondContact O-N 3.28Å; K837-V839 PolarHBondContact O-N 2.94Å; V839-R843 WeakPolarHBondContact O-CB 3.43Å; V839-R843 WeakPolarHBondContact O-CG 3.49Å; V839-R843 PolarHBondContact O-N 2.95Å; V839-L858 HydrophobicContact CG2-CD1 4.17Å; V839-L858 HydrophobicContact CG2-CD2 3.85Å; V839-W876 HydrophobicContact CB-CZ3 4.12Å; V839-W876 HydrophobicContact CG1-CZ3 4.07Å; V839-W876 HydrophobicContact CG2-CE3 4.24Å; V839-W876 HydrophobicContact CG2-CZ3 3.93Å; V839-H880 HydrophobicContact CG1-CB 4.48Å; V839-H880 HydrophobicContact CG2-CB 4Å
840	A	90.7	Very high	91.4	Very high	26 Å²	26	58.2 Å²	58.2	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-55.2	172.2	0	0	0	0	0	110.6	E836 K837 N842 R843 T844	E836-A840 WeakPolarHBondContact O-CB 3.46Å; E836-A840 PolarHBondContact O-N 3.31Å; K837-A840 WeakPolarHBondContact O-CB 3.22Å; K837-A840 PolarHBondContact O-N 3.26Å; A840-N842 VanDerWaalsContact C-N 3.33Å; A840-N842 PolarHBondContact O-N 2.88Å; A840-R843 CarbonylContact O-C 3.55Å; A840-R843 PolarHBondContact O-N 3.3Å; A840-T844 PolarHBondContact O-N 3.27Å; A840-T844 PolarHBondContact O-OG1 3.45Å
841	I	90.5	Very high	91.4	Very high	7 Å²	7	58.5 Å²	58.5	4%	0.036	30%	0.301	C	S	.	.	H	α-helix	trans	-52.9	-48.9	177.8	-66.3	162.2	0	0	0	111.2	L792 P793 L812 K837 R843 S845 E850 A854	L792-I841 HydrophobicContact CB-CD1 4.3Å; L792-I841 HydrophobicContact CD2-CD1 4.34Å; P793-I841 HydrophobicContact CG-CD1 3.96Å; P793-I841 HydrophobicContact CG-CG1 3.99Å; L812-I841 HydrophobicContact CD1-CG2 4.35Å; L812-I841 HydrophobicContact CD2-CD1 4.48Å; K837-I841 VanDerWaalsContact O-CG1 3.27Å; K837-I841 WeakPolarHBondContact O-CG1 3.5Å; K837-I841 PolarHBondContact O-N 3.01Å; I841-R843 PolarHBondContact O-N 3.23Å; I841-R843 VanDerWaalsContact O-N 3.1Å; I841-S845 WeakPolarHBondContact O-CB 3.37Å; I841-S845 PolarHBondContact O-N 3.02Å; I841-S845 VanDerWaalsContact O-N 3.12Å; I841-E850 HydrophobicContact CG2-CB 3.86Å; I841-A854 HydrophobicContact CB-CB 4.11Å; I841-A854 HydrophobicContact CG2-CB 3.73Å
842	N	90.8	Very high	91.4	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-6.4	179.2	178.4	70.4	0	0	0	114.7	L838 A840 T851 A854 S855 L858 T884	L838-N842 VanDerWaalsContact O-CB 3.27Å; L838-N842 WeakPolarHBondContact O-CB 3.37Å; L838-N842 PolarHBondContact O-N 3.46Å; A840-N842 VanDerWaalsContact C-N 3.33Å; A840-N842 PolarHBondContact O-N 2.88Å; N842-T851 PolarHBondContact OD1-O 3.02Å; N842-A854 HydrophobicContact CB-CB 4.22Å; N842-S855 VanDerWaalsContact OD1-CB 3.28Å; N842-S855 WeakPolarHBondContact OD1-CB 3.44Å; N842-S855 PolarHBondContact OD1-OG 3.15Å; N842-L858 HydrophobicContact CB-CD1 3.86Å; N842-T884 PolarHBondContact ND2-OG1 3.07Å; N842-T884 PolarHBondContact O-OG1 3.29Å
843	R	89.1	Confident	91.5	Very high	122 Å²	122	57.6 Å²	57.6	46%	0.46	29%	0.291	S	S	.	.	H	α-helix	trans	-121.6	-27.9	179.5	-72.1	179.9	172.6	173.7	0	114.7	V839 A840 I841 S879 H880	V839-R843 WeakPolarHBondContact O-CB 3.43Å; V839-R843 WeakPolarHBondContact O-CG 3.49Å; V839-R843 PolarHBondContact O-N 2.95Å; A840-R843 CarbonylContact O-C 3.55Å; A840-R843 PolarHBondContact O-N 3.3Å; I841-R843 PolarHBondContact O-N 3.23Å; I841-R843 VanDerWaalsContact O-N 3.1Å; R843-S879 PolarHBondContact NH2-O 3.28Å; R843-H880 VanDerWaalsContact CZ-CD2 3.48Å; R843-H880 PolarHBondContact NH1-CD2 2.82Å; R843-H880 VanDerWaalsContact NH1-CD2 3.28Å; R843-H880 PolarHBondContact NH1-NE2 3.48Å; R843-H880 PolarHBondContact NH2-CD2 3Å; R843-H880 PolarHBondContact NH2-NE2 3.41Å
844	T	86.3	Confident	91.6	Very high	101 Å²	101	51 Å²	51	62%	0.62	26%	0.26	S	S	*	.	H	α-helix	trans	-125.2	-8.7	-170.4	70.7	0	0	0	0	114.3	A840	A840-T844 PolarHBondContact O-N 3.27Å; A840-T844 PolarHBondContact O-OG1 3.45Å
845	S	86.4	Confident	91.7	Very high	31 Å²	31	51.2 Å²	51.2	22%	0.217	26%	0.262	C	S	.	.			trans	-68.1	140.5	171.7	-178.5	0	0	0	0	110.4	I841 S847 E850	I841-S845 WeakPolarHBondContact O-CB 3.37Å; I841-S845 PolarHBondContact O-N 3.02Å; I841-S845 VanDerWaalsContact O-N 3.12Å; S845-S847 VanDerWaalsContact C-N 3.29Å; S845-S847 PolarHBondContact OG-N 2.88Å; S845-E850 WeakPolarHBondContact CB-OE2 3.48Å; S845-E850 PolarHBondContact OG-OE2 3.18Å
846	Q	86.2	Confident	91.8	Very high	202 Å²	202	54.2 Å²	54.2	94%	0.944	28%	0.275	S	S	*	.	S	Bend	trans	-79.3	-16.7	169.6	-57.1	-172.1	17.7	0	0	111.6
847	S	89.6	Confident	92.1	Very high	16 Å²	16	47.7 Å²	47.7	11%	0.112	25%	0.245	C	C	.	.			trans	-79.1	123.4	175.9	168.7	0	0	0	0	111.8	E805 S845 R849 E850 T851	E805-S847 VanDerWaalsContact CD-OG 3.31Å; E805-S847 VanDerWaalsContact OE1-CB 3.3Å; E805-S847 WeakPolarHBondContact OE1-CB 3.35Å; E805-S847 PolarHBondContact OE1-OG 3.17Å; S845-S847 VanDerWaalsContact C-N 3.29Å; S845-S847 PolarHBondContact OG-N 2.88Å; S847-R849 VanDerWaalsContact C-N 3.26Å; S847-R849 PolarHBondContact O-N 2.92Å; S847-R849 WeakPolarHBondContact OG-CA 3.36Å; S847-R849 PolarHBondContact OG-N 3.45Å; S847-E850 PolarHBondContact OG-N 3.33Å; S847-T851 VanDerWaalsContact O-CB 3.25Å; S847-T851 WeakPolarHBondContact O-CB 3.48Å; S847-T851 PolarHBondContact O-N 2.95Å; S847-T851 PolarHBondContact O-OG1 3.39Å
848	A	92.1	Very high	92.3	Very high	80 Å²	80	46 Å²	46	66%	0.661	24%	0.237	S	C	*	.	H	α-helix	trans	-68	-23.9	166.5	0	0	0	0	0	112.9	K852	A848-K852 WeakPolarHBondContact O-CB 3.18Å; A848-K852 PolarHBondContact O-N 3.5Å; A848-K852 VanDerWaalsContact O-N 3.12Å
849	R	93.9	Very high	92.3	Very high	102 Å²	102	49.9 Å²	49.9	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-74.6	-49.8	178.1	-55.9	-167.4	-73.2	158.9	-2.3	110.8	E805 D806 V809 S847 K852 A853	E805-R849 VanDerWaalsContact CD-NE 3.32Å; E805-R849 WeakPolarHBondContact OE1-CB 3.37Å; E805-R849 IonicContact OE1-CZ 2.83Å; E805-R849 IonicContact OE1-NE 2.71Å; E805-R849 PolarHBondContact OE1-NE 3.48Å; E805-R849 IonicContact OE1-NH2 3.5Å; E805-R849 PolarHBondContact OE1-NH2 2.91Å; E805-R849 IonicContact OE2-CZ 2.72Å; E805-R849 IonicContact OE2-NE 3.55Å; E805-R849 PolarHBondContact OE2-NE 2.83Å; E805-R849 IonicContact OE2-NH2 3.71Å; E805-R849 PolarHBondContact OE2-NH2 2.73Å; D806-R849 IonicContact OD1-CZ 3.81Å; D806-R849 IonicContact OD1-NH1 3.37Å; D806-R849 PolarHBondContact OD1-NH1 3.02Å; D806-R849 IonicContact OD1-NH2 3.24Å; D806-R849 PolarHBondContact OD1-NH2 2.96Å; V809-R849 HydrophobicContact CG2-CB 3.74Å; S847-R849 VanDerWaalsContact C-N 3.26Å; S847-R849 PolarHBondContact O-N 2.92Å; S847-R849 WeakPolarHBondContact OG-CA 3.36Å; S847-R849 PolarHBondContact OG-N 3.45Å; R849-K852 PolarHBondContact O-N 2.88Å; R849-A853 WeakPolarHBondContact O-CB 3.43Å; R849-A853 PolarHBondContact O-N 3.21Å
850	E	92.5	Very high	92.4	Very high	23 Å²	23	50.8 Å²	50.8	11%	0.107	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-49.1	174.2	-67	-178.4	169.8	0	0	111.3	E805 V808 V809 L812 I841 S845 S847 K852 A853 A854	E805-E850 HydrophobicContact CG-CG 4Å; V808-E850 HydrophobicContact CB-CG 4.28Å; V808-E850 WeakPolarHBondContact CB-OE1 3.39Å; V808-E850 HydrophobicContact CG1-CG 3.95Å; V809-E850 HydrophobicContact CG2-CG 3.9Å; L812-E850 HydrophobicContact CD1-CB 4.35Å; I841-E850 HydrophobicContact CG2-CB 3.86Å; S845-E850 WeakPolarHBondContact CB-OE2 3.48Å; S845-E850 PolarHBondContact OG-OE2 3.18Å; S847-E850 PolarHBondContact OG-N 3.33Å; E850-K852 VanDerWaalsContact C-N 3.3Å; E850-K852 PolarHBondContact O-N 2.99Å; E850-A853 PolarHBondContact O-N 2.95Å; E850-A854 WeakPolarHBondContact O-CB 3.47Å; E850-A854 PolarHBondContact O-N 2.76Å
851	T	92.8	Very high	92.7	Very high	33 Å²	33	49.6 Å²	49.6	20%	0.202	25%	0.251	C	S	.	.	H	α-helix	trans	-53.8	-47.9	177.6	-64.1	0	0	0	0	110.9	N842 S847 S855	N842-T851 PolarHBondContact OD1-O 3.02Å; S847-T851 VanDerWaalsContact O-CB 3.25Å; S847-T851 WeakPolarHBondContact O-CB 3.48Å; S847-T851 PolarHBondContact O-N 2.95Å; S847-T851 PolarHBondContact O-OG1 3.39Å; T851-S855 VanDerWaalsContact O-CB 3.27Å; T851-S855 WeakPolarHBondContact O-CB 3.39Å; T851-S855 PolarHBondContact O-N 3.19Å
852	K	94.1	Very high	92.9	Very high	133 Å²	133	51 Å²	51	58%	0.578	26%	0.256	S	S	*	.	H	α-helix	trans	-64.5	-44.5	178.3	-176.3	-180	179.3	-174.6	0	112.5	A848 R849 E850 S855 H856	A848-K852 WeakPolarHBondContact O-CB 3.18Å; A848-K852 PolarHBondContact O-N 3.5Å; A848-K852 VanDerWaalsContact O-N 3.12Å; R849-K852 PolarHBondContact O-N 2.88Å; E850-K852 VanDerWaalsContact C-N 3.3Å; E850-K852 PolarHBondContact O-N 2.99Å; K852-S855 WeakPolarHBondContact O-CB 3.31Å; K852-S855 PolarHBondContact O-N 2.9Å; K852-H856 PolarHBondContact O-CD2 2.83Å; K852-H856 PolarHBondContact O-N 2.8Å
853	A	95.4	Very high	93.1	Very high	4 Å²	4	53.8 Å²	53.8	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-65.9	-45.6	180	0	0	0	0	0	111.8	L812 R849 E850 S855 H856 V857	L812-A853 HydrophobicContact CB-CB 3.68Å; L812-A853 HydrophobicContact CD1-CB 3.96Å; L812-A853 HydrophobicContact CG-CB 4.46Å; R849-A853 WeakPolarHBondContact O-CB 3.43Å; R849-A853 PolarHBondContact O-N 3.21Å; E850-A853 PolarHBondContact O-N 2.95Å; A853-S855 VanDerWaalsContact C-N 3.32Å; A853-S855 PolarHBondContact O-N 3.31Å; A853-H856 PolarHBondContact O-N 2.79Å; A853-V857 PolarHBondContact O-N 3.36Å; A853-V857 VanDerWaalsContact O-N 3.14Å
854	A	95.6	Very high	93.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-40.1	173.2	0	0	0	0	0	111.7	L812 L838 I841 N842 E850 H856 V857 L858	L812-A854 HydrophobicContact CD1-CB 4.2Å; L812-A854 HydrophobicContact CD2-CB 4.16Å; L838-A854 HydrophobicContact CD2-CB 4.19Å; I841-A854 HydrophobicContact CB-CB 4.11Å; I841-A854 HydrophobicContact CG2-CB 3.73Å; N842-A854 HydrophobicContact CB-CB 4.22Å; E850-A854 WeakPolarHBondContact O-CB 3.47Å; E850-A854 PolarHBondContact O-N 2.76Å; A854-H856 PolarHBondContact O-N 2.79Å; A854-V857 PolarHBondContact O-N 3.08Å; A854-L858 WeakPolarHBondContact O-CB 3.47Å; A854-L858 VanDerWaalsContact O-CG 3.31Å; A854-L858 WeakPolarHBondContact O-CG 3.47Å; A854-L858 PolarHBondContact O-N 2.95Å
855	S	95.4	Very high	93.7	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.028	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-40.4	174.8	-156.9	0	0	0	0	112.8	N842 T851 K852 A853 L858 Q859 P883	N842-S855 VanDerWaalsContact OD1-CB 3.28Å; N842-S855 WeakPolarHBondContact OD1-CB 3.44Å; N842-S855 PolarHBondContact OD1-OG 3.15Å; T851-S855 VanDerWaalsContact O-CB 3.27Å; T851-S855 WeakPolarHBondContact O-CB 3.39Å; T851-S855 PolarHBondContact O-N 3.19Å; K852-S855 WeakPolarHBondContact O-CB 3.31Å; K852-S855 PolarHBondContact O-N 2.9Å; A853-S855 VanDerWaalsContact C-N 3.32Å; A853-S855 PolarHBondContact O-N 3.31Å; S855-L858 PolarHBondContact O-N 3.34Å; S855-Q859 WeakPolarHBondContact O-CB 3.41Å; S855-Q859 WeakPolarHBondContact O-CG 3.28Å; S855-Q859 PolarHBondContact O-N 2.76Å; S855-Q859 PolarHBondContact O-NE2 2.98Å; S855-Q859 PolarHBondContact OG-NE2 2.89Å; S855-P883 WeakPolarHBondContact OG-CA 3.34Å
856	H	95.6	Very high	94.1	Very high	70 Å²	70	56.5 Å²	56.5	32%	0.324	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-45.1	174.8	-65.9	172.7	0	0	0	111.6	K852 A853 A854 L858 Q859 T860	K852-H856 PolarHBondContact O-CD2 2.83Å; K852-H856 PolarHBondContact O-N 2.8Å; A853-H856 PolarHBondContact O-N 2.79Å; A854-H856 PolarHBondContact O-N 2.79Å; H856-L858 PolarHBondContact O-N 2.84Å; H856-Q859 PolarHBondContact O-N 3.43Å; H856-T860 WeakPolarHBondContact O-CB 3.47Å; H856-T860 PolarHBondContact O-N 3.49Å; H856-T860 PolarHBondContact O-OG1 2.93Å; H856-T860 VanDerWaalsContact O-OG1 3.07Å
857	V	97.1	Very high	94.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-48.9	175.6	180	0	0	0	0	110.8	L812 I815 H816 L829 L838 A853 A854 Q859 T860 V861	L812-V857 WeakPolarHBondContact O-CG2 3.38Å; I815-V857 HydrophobicContact CG2-CG1 3.78Å; I815-V857 HydrophobicContact CG2-CG2 4.21Å; H816-V857 HydrophobicContact CB-CG2 3.81Å; L829-V857 HydrophobicContact CD2-CG1 3.63Å; L838-V857 HydrophobicContact CD1-CB 4.39Å; L838-V857 HydrophobicContact CD1-CG1 3.61Å; L838-V857 HydrophobicContact CD2-CB 4.16Å; L838-V857 HydrophobicContact CD2-CG1 4.13Å; L838-V857 HydrophobicContact CD2-CG2 4.49Å; A853-V857 PolarHBondContact O-N 3.36Å; A853-V857 VanDerWaalsContact O-N 3.14Å; A854-V857 PolarHBondContact O-N 3.08Å; V857-Q859 PolarHBondContact O-N 2.7Å; V857-T860 PolarHBondContact O-N 3.08Å; V857-V861 HydrophobicContact CG1-CG2 4.47Å; V857-V861 WeakPolarHBondContact O-CG2 3.38Å; V857-V861 PolarHBondContact O-N 3.44Å
858	L	96.4	Very high	94.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-44.3	179.4	-72.2	168	0	0	0	112.4	L838 V839 N842 A854 S855 H856 V861 W862 F881	L838-L858 HydrophobicContact CB-CD1 4.27Å; L838-L858 HydrophobicContact CB-CD2 3.78Å; L838-L858 HydrophobicContact CB-CG 3.96Å; L838-L858 HydrophobicContact CD1-CD2 4.47Å; V839-L858 HydrophobicContact CG2-CD1 4.17Å; V839-L858 HydrophobicContact CG2-CD2 3.85Å; N842-L858 HydrophobicContact CB-CD1 3.86Å; A854-L858 WeakPolarHBondContact O-CB 3.47Å; A854-L858 VanDerWaalsContact O-CG 3.31Å; A854-L858 WeakPolarHBondContact O-CG 3.47Å; A854-L858 PolarHBondContact O-N 2.95Å; S855-L858 PolarHBondContact O-N 3.34Å; H856-L858 PolarHBondContact O-N 2.84Å; L858-V861 PolarHBondContact O-N 3.41Å; L858-W862 WeakPolarHBondContact O-CB 3.42Å; L858-W862 PolarHBondContact O-N 2.89Å; L858-F881 HydrophobicContact CB-CB 4.3Å; L858-F881 HydrophobicContact CB-CD1 3.88Å; L858-F881 HydrophobicContact CD2-CD1 3.59Å; L858-F881 HydrophobicContact CD2-CE1 3.77Å; L858-F881 HydrophobicContact CG-CD1 4.34Å; L858-F881 WeakPolarHBondContact O-CD1 3.48Å
859	Q	94.7	Very high	94.5	Very high	83 Å²	83	52.8 Å²	52.8	39%	0.388	25%	0.248	S	C	.	.	H	α-helix	trans	-63.2	-40.8	176.9	-73.5	172.5	60.4	0	0	111.8	S855 H856 V857 W862 S863 F881	S855-Q859 WeakPolarHBondContact O-CB 3.41Å; S855-Q859 WeakPolarHBondContact O-CG 3.28Å; S855-Q859 PolarHBondContact O-N 2.76Å; S855-Q859 PolarHBondContact O-NE2 2.98Å; S855-Q859 PolarHBondContact OG-NE2 2.89Å; H856-Q859 PolarHBondContact O-N 3.43Å; V857-Q859 PolarHBondContact O-N 2.7Å; Q859-W862 CarbonylContact O-C 3.55Å; Q859-W862 PolarHBondContact O-N 3.2Å; Q859-S863 PolarHBondContact O-N 2.77Å; Q859-F881 WeakPolarHBondContact CG-O 3.31Å
860	T	95.6	Very high	94.3	Very high	26 Å²	26	50.1 Å²	50.1	16%	0.16	25%	0.248	C	C	.	.	H	α-helix	trans	-66.1	-46	176.9	-62.9	0	0	0	0	111.5	H816 V819 H856 V857 W862 S863 Y864	H816-T860 PolarHBondContact NE2-OG1 3.38Å; V819-T860 HydrophobicContact CG2-CG2 4Å; H856-T860 WeakPolarHBondContact O-CB 3.47Å; H856-T860 PolarHBondContact O-N 3.49Å; H856-T860 PolarHBondContact O-OG1 2.93Å; H856-T860 VanDerWaalsContact O-OG1 3.07Å; V857-T860 PolarHBondContact O-N 3.08Å; T860-W862 VanDerWaalsContact C-N 3.34Å; T860-W862 PolarHBondContact O-N 2.98Å; T860-S863 VanDerWaalsContact O-CB 3.25Å; T860-S863 WeakPolarHBondContact O-CB 3.48Å; T860-S863 PolarHBondContact O-N 2.93Å; T860-S863 VanDerWaalsContact O-N 3.07Å; T860-S863 PolarHBondContact O-OG 3.48Å; T860-Y864 HydrophobicContact CG2-CE2 4.29Å; T860-Y864 WeakPolarHBondContact O-CD2 3.42Å; T860-Y864 WeakPolarHBondContact O-CE2 3.29Å
861	V	96.1	Very high	94.2	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-45.1	173.2	171.7	0	0	0	0	111.4	A826 L829 I830 I835 V857 L858 S863 Y864 L871	A826-V861 HydrophobicContact CB-CG2 4.44Å; L829-V861 HydrophobicContact CD2-CG2 3.66Å; I830-V861 HydrophobicContact CD1-CG1 4.17Å; I830-V861 HydrophobicContact CG1-CG1 4.37Å; I835-V861 HydrophobicContact CD1-CG1 4.17Å; V857-V861 HydrophobicContact CG1-CG2 4.47Å; V857-V861 WeakPolarHBondContact O-CG2 3.38Å; V857-V861 PolarHBondContact O-N 3.44Å; L858-V861 PolarHBondContact O-N 3.41Å; V861-S863 PolarHBondContact O-N 2.99Å; V861-Y864 PolarHBondContact O-N 3.2Å; V861-L871 HydrophobicContact CG1-CD1 3.92Å
862	W	94.8	Very high	94.2	Very high	36 Å²	36	51.3 Å²	51.3	14%	0.136	26%	0.257	C	S	.	.	H	α-helix	trans	-72.4	-12.4	178.5	-165.5	-99.5	0	0	0	113.5	L858 Q859 T860 Y864 R868 L871 K878 F881	L858-W862 WeakPolarHBondContact O-CB 3.42Å; L858-W862 PolarHBondContact O-N 2.89Å; Q859-W862 CarbonylContact O-C 3.55Å; Q859-W862 PolarHBondContact O-N 3.2Å; T860-W862 VanDerWaalsContact C-N 3.34Å; T860-W862 PolarHBondContact O-N 2.98Å; W862-Y864 VanDerWaalsContact C-N 3.32Å; W862-R868 HydrophobicContact CD2-CG 4.18Å; W862-R868 HydrophobicContact CE3-CG 4.25Å; W862-R868 HydrophobicContact CH2-CB 4.43Å; W862-R868 HydrophobicContact CH2-CG 4.37Å; W862-R868 HydrophobicContact CZ2-CG 4.28Å; W862-R868 HydrophobicContact CZ3-CG 4.36Å; W862-R868 PolarHBondContact O-NE 2.66Å; W862-R868 PolarHBondContact O-NH2 3.04Å; W862-L871 HydrophobicContact CE3-CD1 3.97Å; W862-L871 HydrophobicContact CZ3-CB 4.05Å; W862-L871 HydrophobicContact CZ3-CD1 4.2Å; W862-K878 HydrophobicContact CZ2-CB 3.85Å; W862-F881 HydrophobicContact CB-CB 3.67Å; W862-F881 HydrophobicContact CB-CD1 4.05Å; W862-F881 HydrophobicContact CB-CD2 4.44Å; W862-F881 HydrophobicContact CB-CG 3.82Å; W862-F881 HydrophobicContact CD2-CB 4.27Å; W862-F881 AromaticContact CD2-CD2 3.7Å; W862-F881 HydrophobicContact CD2-CD2 3.7Å; W862-F881 HydrophobicContact CD2-CE2 4.21Å; W862-F881 HydrophobicContact CD2-CG 4Å; W862-F881 HydrophobicContact CE3-CD1 4.28Å; W862-F881 AromaticContact CE3-CD2 3.23Å; W862-F881 HydrophobicContact CE3-CD2 3.23Å; W862-F881 HydrophobicContact CE3-CE1 4.31Å; W862-F881 AromaticContact CE3-CE2 3.26Å; W862-F881 HydrophobicContact CE3-CE2 3.26Å; W862-F881 AromaticContact CE3-CG 3.78Å; W862-F881 HydrophobicContact CE3-CG 3.78Å; W862-F881 AromaticContact CE3-CZ 3.85Å; W862-F881 HydrophobicContact CE3-CZ 3.85Å; W862-F881 HydrophobicContact CG-CB 3.9Å; W862-F881 HydrophobicContact CG-CD2 4.23Å; W862-F881 HydrophobicContact CG-CG 4.04Å; W862-F881 HydrophobicContact CH2-CE2 4.45Å; W862-F881 AromaticContact CZ3-CD2 3.71Å; W862-F881 HydrophobicContact CZ3-CD2 3.71Å; W862-F881 AromaticContact CZ3-CE2 3.42Å; W862-F881 HydrophobicContact CZ3-CE2 3.42Å; W862-F881 VanDerWaalsContact CZ3-CE2 3.42Å; W862-F881 HydrophobicContact CZ3-CZ 4.17Å
863	S	94.8	Very high	94	Very high	62 Å²	62	53.8 Å²	53.8	43%	0.434	27%	0.267	S	S	.	.	H	α-helix	trans	-65.1	-37.7	174.1	82.2	0	0	0	0	111.6	Q859 T860 V861 K865 R868	Q859-S863 PolarHBondContact O-N 2.77Å; T860-S863 VanDerWaalsContact O-CB 3.25Å; T860-S863 WeakPolarHBondContact O-CB 3.48Å; T860-S863 PolarHBondContact O-N 2.93Å; T860-S863 VanDerWaalsContact O-N 3.07Å; T860-S863 PolarHBondContact O-OG 3.48Å; V861-S863 PolarHBondContact O-N 2.99Å; S863-K865 PolarHBondContact O-N 2.67Å; S863-K865 VanDerWaalsContact O-N 3.1Å; S863-R868 PolarHBondContact O-NH2 3Å
864	Y	95.9	Very high	93.7	Very high	38 Å²	38	58 Å²	58	15%	0.149	29%	0.289	C	S	.	.			trans	-70.1	103.1	-177.6	-60.2	-63.8	0	0	0	112	V819 D821 S822 A826 T860 V861 W862 E866 L867	V819-Y864 PolarHBondContact O-OH 2.69Å; D821-Y864 PolarHBondContact N-OH 3.42Å; D821-Y864 VanDerWaalsContact N-OH 3.09Å; S822-Y864 PolarHBondContact N-OH 3.06Å; S822-Y864 VanDerWaalsContact N-OH 3.07Å; A826-Y864 HydrophobicContact CB-CD2 3.67Å; A826-Y864 HydrophobicContact CB-CE2 3.6Å; T860-Y864 HydrophobicContact CG2-CE2 4.29Å; T860-Y864 WeakPolarHBondContact O-CD2 3.42Å; T860-Y864 WeakPolarHBondContact O-CE2 3.29Å; V861-Y864 PolarHBondContact O-N 3.2Å; W862-Y864 VanDerWaalsContact C-N 3.32Å; Y864-E866 PolarHBondContact O-N 3.45Å; Y864-E866 VanDerWaalsContact O-N 3.17Å; Y864-L867 HydrophobicContact CD2-CD1 4.09Å; Y864-L867 HydrophobicContact CG-CD1 4.32Å; Y864-L867 PolarHBondContact O-N 2.96Å; Y864-L867 VanDerWaalsContact O-N 3.12Å
865	K	93.8	Very high	93.5	Very high	166 Å²	166	60.6 Å²	60.6	72%	0.722	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-36.7	-178	-64.3	176.3	-176.8	172.1	0	113.1	S863	S863-K865 PolarHBondContact O-N 2.67Å; S863-K865 VanDerWaalsContact O-N 3.1Å
866	E	94.5	Very high	93.3	Very high	107 Å²	107	63.2 Å²	63.2	50%	0.5	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-32.3	-179.5	63	-167.9	-134.5	0	0	113.9	S823 R827 Y864	S823-E866 VanDerWaalsContact CB-OE1 3.23Å; S823-E866 WeakPolarHBondContact CB-OE1 3.45Å; S823-E866 PolarHBondContact OG-OE1 3.16Å; R827-E866 IonicContact NH2-OE1 2.94Å; R827-E866 PolarHBondContact NH2-OE1 3.38Å; Y864-E866 PolarHBondContact O-N 3.45Å; Y864-E866 VanDerWaalsContact O-N 3.17Å
867	L	93.4	Very high	93.1	Very high	8 Å²	8	63.4 Å²	63.4	4%	0.042	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-23.2	-177.6	-57.4	-178	0	0	0	112.7	A826 R827 I830 Y864 N869 A870 L871	A826-L867 HydrophobicContact CB-CD1 3.56Å; R827-L867 HydrophobicContact CB-CD2 4.13Å; R827-L867 HydrophobicContact CG-CD2 4.27Å; I830-L867 HydrophobicContact CD1-CB 4.15Å; I830-L867 HydrophobicContact CD1-CD1 3.99Å; I830-L867 HydrophobicContact CD1-CG 4.45Å; Y864-L867 HydrophobicContact CD2-CD1 4.09Å; Y864-L867 HydrophobicContact CG-CD1 4.32Å; Y864-L867 PolarHBondContact O-N 2.96Å; Y864-L867 VanDerWaalsContact O-N 3.12Å; L867-N869 VanDerWaalsContact C-N 3.26Å; L867-N869 PolarHBondContact O-N 3.06Å; L867-A870 PolarHBondContact O-N 3.39Å; L867-A870 VanDerWaalsContact O-N 3.17Å; L867-L871 HydrophobicContact CB-CD1 4.48Å; L867-L871 WeakPolarHBondContact O-CG 3.46Å; L867-L871 PolarHBondContact O-N 2.87Å
868	R	92.3	Very high	92.6	Very high	81 Å²	81	69 Å²	69	31%	0.306	35%	0.353	S	S	.	.	H	α-helix	trans	-57.6	-35.1	-177.8	-66.3	-179.4	-174.7	163.7	5	113.6	W862 S863 T872	W862-R868 HydrophobicContact CD2-CG 4.18Å; W862-R868 HydrophobicContact CE3-CG 4.25Å; W862-R868 HydrophobicContact CH2-CB 4.43Å; W862-R868 HydrophobicContact CH2-CG 4.37Å; W862-R868 HydrophobicContact CZ2-CG 4.28Å; W862-R868 HydrophobicContact CZ3-CG 4.36Å; W862-R868 PolarHBondContact O-NE 2.66Å; W862-R868 PolarHBondContact O-NH2 3.04Å; S863-R868 PolarHBondContact O-NH2 3Å; R868-T872 VanDerWaalsContact O-CB 3.28Å; R868-T872 WeakPolarHBondContact O-CB 3.42Å; R868-T872 PolarHBondContact O-N 3.41Å; R868-T872 PolarHBondContact O-OG1 2.99Å
869	N	89.3	Confident	92.2	Very high	131 Å²	131	72.1 Å²	72.1	70%	0.701	38%	0.375	S	S	*	.	H	α-helix	trans	-69.8	-37.4	-178.8	-70.1	-4.2	0	0	0	111.8	L867 K873	L867-N869 VanDerWaalsContact C-N 3.26Å; L867-N869 PolarHBondContact O-N 3.06Å; N869-K873 WeakPolarHBondContact O-CB 3.19Å; N869-K873 PolarHBondContact O-N 3.01Å
870	A	89.8	Confident	91.9	Very high	47 Å²	47	69.6 Å²	69.6	39%	0.388	36%	0.363	S	S	.	.	H	α-helix	trans	-67.1	-54.6	172.2	0	0	0	0	0	110.1	L867 T872 K873 D874	L867-A870 PolarHBondContact O-N 3.39Å; L867-A870 VanDerWaalsContact O-N 3.17Å; A870-T872 VanDerWaalsContact C-N 3.27Å; A870-T872 PolarHBondContact O-N 3.09Å; A870-T872 VanDerWaalsContact O-N 3.16Å; A870-K873 WeakPolarHBondContact O-CA 3.38Å; A870-K873 WeakPolarHBondContact O-CB 3.26Å; A870-K873 PolarHBondContact O-N 3.18Å; A870-D874 VanDerWaalsContact O-CG 3.22Å; A870-D874 PolarHBondContact O-N 3Å
871	L	91.9	Very high	91.5	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-52.8	-42.5	178.7	-70	171.2	0	0	0	112.9	I830 I835 V861 W862 L867 D874 G875 W876 F881	I830-L871 HydrophobicContact CD1-CD1 4.18Å; I830-L871 HydrophobicContact CD1-CD2 3.83Å; I830-L871 HydrophobicContact CD1-CG 4.02Å; I830-L871 HydrophobicContact CG1-CD2 4.02Å; I830-L871 HydrophobicContact CG2-CD2 4.34Å; I835-L871 HydrophobicContact CG1-CD2 4.1Å; V861-L871 HydrophobicContact CG1-CD1 3.92Å; W862-L871 HydrophobicContact CE3-CD1 3.97Å; W862-L871 HydrophobicContact CZ3-CB 4.05Å; W862-L871 HydrophobicContact CZ3-CD1 4.2Å; L867-L871 HydrophobicContact CB-CD1 4.48Å; L867-L871 WeakPolarHBondContact O-CG 3.46Å; L867-L871 PolarHBondContact O-N 2.87Å; L871-D874 CarbonylContact O-C 3.45Å; L871-D874 PolarHBondContact O-N 3.36Å; L871-G875 PolarHBondContact O-N 3.39Å; L871-W876 CarbonylContact C-O 3.52Å; L871-W876 HydrophobicContact CB-CB 4.24Å; L871-W876 WeakPolarHBondContact O-CA 3.44Å; L871-W876 WeakPolarHBondContact O-CB 3.43Å; L871-W876 PolarHBondContact O-N 3.33Å; L871-F881 HydrophobicContact CD1-CE1 4.27Å; L871-F881 HydrophobicContact CD1-CZ 3.95Å; L871-F881 HydrophobicContact CD2-CZ 4.2Å; L871-F881 HydrophobicContact CG-CZ 4.48Å
872	T	91.3	Very high	90.6	Very high	80 Å²	80	73 Å²	73	49%	0.491	38%	0.377	S	S	.	.	H	α-helix	trans	-69.4	-35.2	178.2	-52.9	0	0	0	0	112.3	R868 A870 D874 G875	R868-T872 VanDerWaalsContact O-CB 3.28Å; R868-T872 WeakPolarHBondContact O-CB 3.42Å; R868-T872 PolarHBondContact O-N 3.41Å; R868-T872 PolarHBondContact O-OG1 2.99Å; A870-T872 VanDerWaalsContact C-N 3.27Å; A870-T872 PolarHBondContact O-N 3.09Å; A870-T872 VanDerWaalsContact O-N 3.16Å; T872-D874 VanDerWaalsContact C-N 3.29Å; T872-G875 PolarHBondContact O-N 2.91Å
873	K	91.1	Very high	89.5	Confident	185 Å²	185	74.5 Å²	74.5	80%	0.804	39%	0.391	S	S	*	.	H	α-helix	trans	-65.4	-36	172.6	-174.6	-167.8	174.4	-164.9	0	111.2	N869 A870 G875	N869-K873 WeakPolarHBondContact O-CB 3.19Å; N869-K873 PolarHBondContact O-N 3.01Å; A870-K873 WeakPolarHBondContact O-CA 3.38Å; A870-K873 WeakPolarHBondContact O-CB 3.26Å; A870-K873 PolarHBondContact O-N 3.18Å; K873-G875 PolarHBondContact O-N 3.36Å
874	D	89.2	Confident	88	Confident	92 Å²	92	74.7 Å²	74.7	49%	0.492	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	11.8	177	-52.5	-26.5	0	0	0	112.4	A870 L871 T872	A870-D874 VanDerWaalsContact O-CG 3.22Å; A870-D874 PolarHBondContact O-N 3Å; L871-D874 CarbonylContact O-C 3.45Å; L871-D874 PolarHBondContact O-N 3.36Å; T872-D874 VanDerWaalsContact C-N 3.29Å
875	G	90.3	Very high	85.9	Confident	55 Å²	55	79.4 Å²	79.4	57%	0.567	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	-11	175.1	0	0	0	0	0	115.9	L871 T872 K873 N877	L871-G875 PolarHBondContact O-N 3.39Å; T872-G875 PolarHBondContact O-N 2.91Å; K873-G875 PolarHBondContact O-N 3.36Å; G875-N877 PolarHBondContact O-N 3.13Å
876	W	92.4	Very high	83.6	Confident	59 Å²	59	76.7 Å²	76.7	22%	0.223	42%	0.42	C	S	.	.			trans	-82	107.9	-174.6	-55.4	103	0	0	0	112.6	I835 E836 V839 L871 H880 F881	I835-W876 HydrophobicContact CG2-CD2 3.72Å; I835-W876 HydrophobicContact CG2-CE3 4.12Å; I835-W876 HydrophobicContact CG2-CG 4.05Å; I835-W876 HydrophobicContact CG2-CZ2 4.2Å; E836-W876 HydrophobicContact CB-CH2 4.12Å; E836-W876 HydrophobicContact CB-CZ2 4.1Å; E836-W876 HydrophobicContact CG-CH2 4.4Å; V839-W876 HydrophobicContact CB-CZ3 4.12Å; V839-W876 HydrophobicContact CG1-CZ3 4.07Å; V839-W876 HydrophobicContact CG2-CE3 4.24Å; V839-W876 HydrophobicContact CG2-CZ3 3.93Å; L871-W876 CarbonylContact C-O 3.52Å; L871-W876 HydrophobicContact CB-CB 4.24Å; L871-W876 WeakPolarHBondContact O-CA 3.44Å; L871-W876 WeakPolarHBondContact O-CB 3.43Å; L871-W876 PolarHBondContact O-N 3.33Å; W876-H880 HydrophobicContact CE3-CB 4.1Å; W876-H880 AromaticContact CE3-CD2 3.84Å; W876-H880 AromaticContact CE3-CG 3.87Å; W876-H880 AromaticContact CZ3-CD2 3.91Å; W876-F881 HydrophobicContact CB-CE2 3.71Å; W876-F881 HydrophobicContact CB-CZ 3.77Å; W876-F881 HydrophobicContact CG-CZ 4.37Å
877	N	89.9	Confident	80.8	Confident	74 Å²	74	76 Å²	76	40%	0.396	43%	0.433	S	S	.	.			trans	-99.1	167.8	174.4	76.2	59.9	0	0	0	112.9	G875 S879 H880 F881	G875-N877 PolarHBondContact O-N 3.13Å; N877-S879 VanDerWaalsContact C-N 3.26Å; N877-S879 PolarHBondContact O-N 2.89Å; N877-S879 PolarHBondContact OD1-N 3.18Å; N877-S879 PolarHBondContact OD1-OG 3.43Å; N877-H880 PolarHBondContact ND2-CE1 3.37Å; N877-H880 WeakPolarHBondContact O-CB 3.39Å; N877-H880 PolarHBondContact O-N 3.41Å; N877-H880 PolarHBondContact O-ND1 2.99Å; N877-H880 PolarHBondContact OD1-ND1 3.04Å; N877-F881 WeakPolarHBondContact O-CD2 3.46Å
878	K	87.9	Confident	78	Confident	118 Å²	118	81.2 Å²	81.2	51%	0.513	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-48.3	-34.5	-174.8	-173.7	-177.6	173.5	-171	0	115.5	W862 H880 F881 Q882	W862-K878 HydrophobicContact CZ2-CB 3.85Å; K878-H880 PolarHBondContact O-N 3.42Å; K878-F881 PolarHBondContact O-N 2.92Å; K878-Q882 HydrophobicContact CG-CG 4.2Å; K878-Q882 PolarHBondContact O-N 3.01Å
879	S	86.9	Confident	75.4	Confident	65 Å²	65	83 Å²	83	46%	0.455	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-72.4	-6.3	-178	73.1	0	0	0	0	114.1	R843 N877	R843-S879 PolarHBondContact NH2-O 3.28Å; N877-S879 VanDerWaalsContact C-N 3.26Å; N877-S879 PolarHBondContact O-N 2.89Å; N877-S879 PolarHBondContact OD1-N 3.18Å; N877-S879 PolarHBondContact OD1-OG 3.43Å
880	H	88.1	Confident	72.9	Confident	30 Å²	30	86.9 Å²	86.9	14%	0.139	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-81.3	-24.2	168.8	-60.4	81.6	0	0	0	112.2	V839 R843 W876 N877 K878	V839-H880 HydrophobicContact CG1-CB 4.48Å; V839-H880 HydrophobicContact CG2-CB 4Å; R843-H880 VanDerWaalsContact CZ-CD2 3.48Å; R843-H880 PolarHBondContact NH1-CD2 2.82Å; R843-H880 VanDerWaalsContact NH1-CD2 3.28Å; R843-H880 PolarHBondContact NH1-NE2 3.48Å; R843-H880 PolarHBondContact NH2-CD2 3Å; R843-H880 PolarHBondContact NH2-NE2 3.41Å; W876-H880 HydrophobicContact CE3-CB 4.1Å; W876-H880 AromaticContact CE3-CD2 3.84Å; W876-H880 AromaticContact CE3-CG 3.87Å; W876-H880 AromaticContact CZ3-CD2 3.91Å; N877-H880 PolarHBondContact ND2-CE1 3.37Å; N877-H880 WeakPolarHBondContact O-CB 3.39Å; N877-H880 PolarHBondContact O-N 3.41Å; N877-H880 PolarHBondContact O-ND1 2.99Å; N877-H880 PolarHBondContact OD1-ND1 3.04Å; K878-H880 PolarHBondContact O-N 3.42Å
881	F	87.6	Confident	70.2	Confident	4 Å²	4	89 Å²	89	2%	0.018	52%	0.516	C	S	.	.	S	Bend	trans	-111	8.5	-175.1	-51.2	-93	0	0	0	113.5	I835 L858 Q859 W862 L871 W876 N877 K878	I835-F881 HydrophobicContact CG2-CE1 3.96Å; I835-F881 HydrophobicContact CG2-CZ 3.93Å; L858-F881 HydrophobicContact CB-CB 4.3Å; L858-F881 HydrophobicContact CB-CD1 3.88Å; L858-F881 HydrophobicContact CD2-CD1 3.59Å; L858-F881 HydrophobicContact CD2-CE1 3.77Å; L858-F881 HydrophobicContact CG-CD1 4.34Å; L858-F881 WeakPolarHBondContact O-CD1 3.48Å; Q859-F881 WeakPolarHBondContact CG-O 3.31Å; W862-F881 HydrophobicContact CB-CB 3.67Å; W862-F881 HydrophobicContact CB-CD1 4.05Å; W862-F881 HydrophobicContact CB-CD2 4.44Å; W862-F881 HydrophobicContact CB-CG 3.82Å; W862-F881 HydrophobicContact CD2-CB 4.27Å; W862-F881 AromaticContact CD2-CD2 3.7Å; W862-F881 HydrophobicContact CD2-CD2 3.7Å; W862-F881 HydrophobicContact CD2-CE2 4.21Å; W862-F881 HydrophobicContact CD2-CG 4Å; W862-F881 HydrophobicContact CE3-CD1 4.28Å; W862-F881 AromaticContact CE3-CD2 3.23Å; W862-F881 HydrophobicContact CE3-CD2 3.23Å; W862-F881 HydrophobicContact CE3-CE1 4.31Å; W862-F881 AromaticContact CE3-CE2 3.26Å; W862-F881 HydrophobicContact CE3-CE2 3.26Å; W862-F881 AromaticContact CE3-CG 3.78Å; W862-F881 HydrophobicContact CE3-CG 3.78Å; W862-F881 AromaticContact CE3-CZ 3.85Å; W862-F881 HydrophobicContact CE3-CZ 3.85Å; W862-F881 HydrophobicContact CG-CB 3.9Å; W862-F881 HydrophobicContact CG-CD2 4.23Å; W862-F881 HydrophobicContact CG-CG 4.04Å; W862-F881 HydrophobicContact CH2-CE2 4.45Å; W862-F881 AromaticContact CZ3-CD2 3.71Å; W862-F881 HydrophobicContact CZ3-CD2 3.71Å; W862-F881 AromaticContact CZ3-CE2 3.42Å; W862-F881 HydrophobicContact CZ3-CE2 3.42Å; W862-F881 VanDerWaalsContact CZ3-CE2 3.42Å; W862-F881 HydrophobicContact CZ3-CZ 4.17Å; L871-F881 HydrophobicContact CD1-CE1 4.27Å; L871-F881 HydrophobicContact CD1-CZ 3.95Å; L871-F881 HydrophobicContact CD2-CZ 4.2Å; L871-F881 HydrophobicContact CG-CZ 4.48Å; W876-F881 HydrophobicContact CB-CE2 3.71Å; W876-F881 HydrophobicContact CB-CZ 3.77Å; W876-F881 HydrophobicContact CG-CZ 4.37Å; N877-F881 WeakPolarHBondContact O-CD2 3.46Å; K878-F881 PolarHBondContact O-N 2.92Å
882	Q	78.2	Confident	67.6	Low	93 Å²	93	95.8 Å²	95.8	44%	0.435	56%	0.557	S	S	.	*	S	Bend	trans	-92	148.3	170.8	-73.1	-176	-97.2	0	0	110.2	K878 T884	K878-Q882 HydrophobicContact CG-CG 4.2Å; K878-Q882 PolarHBondContact O-N 3.01Å; Q882-T884 PolarHBondContact O-N 3.04Å
883	P	70.8	Confident	64.9	Low	68 Å²	68	101.4 Å²	101.4	44%	0.442	58%	0.575	S	S	.	*			trans	-61.7	132.8	172.5	26.4	-33.5	0	0	0	109.9	S855 V885	S855-P883 WeakPolarHBondContact OG-CA 3.34Å; P883-V885 PolarHBondContact O-N 3.17Å; P883-V885 VanDerWaalsContact O-N 3.11Å
884	T	62.8	Low	61.9	Low	66 Å²	66	101 Å²	101	41%	0.405	58%	0.581	S	S	.	*			trans	-65.9	109.4	179.4	-51.3	0	0	0	0	108.7	N842 Q882 T886	N842-T884 PolarHBondContact ND2-OG1 3.07Å; N842-T884 PolarHBondContact O-OG1 3.29Å; Q882-T884 PolarHBondContact O-N 3.04Å; T884-T886 PolarHBondContact O-N 3.14Å
885	V	52.3	Low	58.9	Low	137 Å²	137	100 Å²	100	83%	0.83	59%	0.593	S	S	*	*			trans	-76.4	78.3	-176.6	-174	0	0	0	0	109.5	P883 A887	P883-V885 PolarHBondContact O-N 3.17Å; P883-V885 VanDerWaalsContact O-N 3.11Å; V885-A887 PolarHBondContact O-N 2.66Å; V885-A887 VanDerWaalsContact O-N 3.08Å
886	T	45.9	Very low	56	Low	109 Å²	109	107.5 Å²	107.5	67%	0.669	61%	0.61	S	S	*	*			trans	-66.1	104.3	167.9	47.2	0	0	0	0	108.8	T884 T888	T884-T886 PolarHBondContact O-N 3.14Å; T886-T888 VanDerWaalsContact C-N 3.3Å; T886-T888 PolarHBondContact O-N 3.15Å
887	A	35.3	Very low	53.1	Low	94 Å²	94	110.1 Å²	110.1	78%	0.777	64%	0.635	S	S	*	*			trans	-70.6	83.9	177.5	0	0	0	0	0	110.6	V885	V885-A887 PolarHBondContact O-N 2.66Å; V885-A887 VanDerWaalsContact O-N 3.08Å
888	T	34.6	Very low	50.3	Low	117 Å²	117	110.2 Å²	110.2	72%	0.718	65%	0.653	S	S	*	*			trans	-63.1	125.6	173.1	53.5	0	0	0	0	109.8	T886	T886-T888 VanDerWaalsContact C-N 3.3Å; T886-T888 PolarHBondContact O-N 3.15Å
889	P	36.7	Very low	47.4	Very low	117 Å²	117	113 Å²	113	76%	0.76	66%	0.662	S	S	*	*			trans	-59.8	151.2	166.4	27.1	-33.5	0	0	0	109.6	A891	P889-A891 PolarHBondContact O-N 3.37Å
890	K	37.9	Very low	44.6	Very low	213 Å²	213	116.6 Å²	116.6	93%	0.926	68%	0.676	S	S	*	*			trans	-67.8	88.9	-175.7	-70.6	-179.5	179	175.8	0	111.4
891	A	33.9	Very low	42.1	Very low	93 Å²	93	118.9 Å²	118.9	77%	0.769	69%	0.689	S	S	*	*			trans	-72.1	131.7	168.6	0	0	0	0	0	110.6	P889 K893	P889-A891 PolarHBondContact O-N 3.37Å; A891-K893 PolarHBondContact O-N 3.09Å
892	T	35.6	Very low	39.7	Very low	143 Å²	143	123.2 Å²	123.2	88%	0.877	72%	0.716	S	S	*	*			trans	-67.5	129.1	179.4	-36.9	0	0	0	0	110.3	N894	T892-N894 PolarHBondContact O-N 3.03Å
893	K	34.3	Very low	37.7	Very low	198 Å²	198	120.5 Å²	120.5	86%	0.861	71%	0.706	S	S	*	*			trans	-69.5	113.2	177.4	-75.3	-173.9	176.3	-176.8	0	111.1	A891	A891-K893 PolarHBondContact O-N 3.09Å
894	N	29.3	Very low	36	Very low	176 Å²	176	120.4 Å²	120.4	94%	0.941	70%	0.701	S	S	*	*			trans	-158.3	127.1	143.6	-102.6	-21.1	0	0	0	109.9	T892	T892-N894 PolarHBondContact O-N 3.03Å
895	G	26.9	Very low	34.7	Very low	72 Å²	72	119 Å²	119	74%	0.742	69%	0.693	S	S	*	*			trans	138	118.8	-174.2	0	0	0	0	0	111.4
896	K	28.7	Very low	34.3	Very low	211 Å²	211	113.5 Å²	113.5	92%	0.917	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-87	124.5	169.6	-70	-179	177.6	-179.7	0	108.4
897	P	31.6	Very low	33.8	Very low	115 Å²	115	112.2 Å²	112.2	75%	0.747	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-72.5	145.2	163.8	31.4	-32.6	0	0	0	109.9
898	G	30.3	Very low	33.7	Very low	75 Å²	75	114.8 Å²	114.8	77%	0.773	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-66.5	156.5	159.9	0	0	0	0	0	110.4
899	Y	26.8	Very low	33.5	Very low	177 Å²	177	118.9 Å²	118.9	69%	0.694	65%	0.65	S	S	*	*			trans	-131	103.5	-173.6	-160.3	-95.5	0	0	0	109.2	D901 L904	Y899-D901 PolarHBondContact O-N 2.99Å; Y899-L904 HydrophobicContact CE1-CD1 3.56Å; Y899-L904 WeakPolarHBondContact OH-CD1 3.34Å
900	D	29.7	Very low	33.1	Very low	140 Å²	140	119.7 Å²	119.7	75%	0.749	65%	0.648	S	S	*	*			trans	-83.2	110.7	175.3	-78.8	-55.6	0	0	0	110.4	T902	D900-T902 PolarHBondContact O-N 3.39Å
901	D	34	Very low	32.5	Very low	78 Å²	78	118.5 Å²	118.5	42%	0.417	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	19.1	-167.5	-157.7	31.7	0	0	0	113.9	Y899	Y899-D901 PolarHBondContact O-N 2.99Å
902	T	38	Very low	32.1	Very low	95 Å²	95	121.9 Å²	121.9	58%	0.583	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-17.1	-169.1	50.9	0	0	0	0	114.7	D900	D900-T902 PolarHBondContact O-N 3.39Å
903	T	35.8	Very low	31.6	Very low	37 Å²	37	118.5 Å²	118.5	23%	0.227	65%	0.645	C	S	.	*	S	Bend	trans	-99	-4.8	-177.9	55.3	0	0	0	0	114	D806	D806-T903 HydrophobicContact CB-CG2 4.47Å
904	L	36.5	Very low	31.1	Very low	66 Å²	66	120.5 Å²	120.5	35%	0.346	65%	0.649	S	S	.	*	S	Bend	trans	-91.9	156.1	177.9	-68.6	169.8	0	0	0	111	Y899	Y899-L904 HydrophobicContact CE1-CD1 3.56Å; Y899-L904 WeakPolarHBondContact OH-CD1 3.34Å
905	P	35	Very low	30.8	Very low	35 Å²	35	117.5 Å²	117.5	23%	0.227	64%	0.641	C	S	.	*			trans	-67.8	148.2	163.2	33.7	-31.9	0	0	0	108.3	M907	P905-M907 HydrophobicContact CB-CB 4.28Å; P905-M907 HydrophobicContact CB-CG 4.37Å; P905-M907 HydrophobicContact CG-CB 4.44Å; P905-M907 PolarHBondContact O-N 3.23Å
906	L	44.1	Very low	30.8	Very low	22 Å²	22	120.3 Å²	120.3	12%	0.115	64%	0.644	C	S	.	*	S	Bend	trans	-70.6	18.2	176.2	-50.8	179	0	0	0	113.3	Y614 K618 A726	Y614-L906 HydrophobicContact CD2-CD1 4.18Å; Y614-L906 HydrophobicContact CE2-CD1 3.96Å; Y614-L906 HydrophobicContact CE2-CD2 3.81Å; K618-L906 WeakPolarHBondContact CE-O 3.33Å; K618-L906 PolarHBondContact NZ-O 3.27Å; A726-L906 HydrophobicContact CB-CB 4.36Å; A726-L906 HydrophobicContact CB-CD1 3.97Å; A726-L906 HydrophobicContact CB-CG 4.34Å
907	M	35.3	Very low	30.6	Very low	82 Å²	82	118.3 Å²	118.3	40%	0.404	64%	0.642	S	S	.	*			trans	-104.2	105	-176.9	-61.2	174.5	72.8	0	0	109.1	I772 P905	I772-M907 HydrophobicContact CD1-SD 3.65Å; P905-M907 HydrophobicContact CB-CB 4.28Å; P905-M907 HydrophobicContact CB-CG 4.37Å; P905-M907 HydrophobicContact CG-CB 4.44Å; P905-M907 PolarHBondContact O-N 3.23Å
908	E	33.7	Very low	30.4	Very low	149 Å²	149	119.1 Å²	119.1	70%	0.696	64%	0.64	S	S	*	*			trans	-67.1	139.3	168.6	-72.3	145.6	109.9	0	0	110	K618	K618-E908 IonicContact NZ-OE2 3.63Å; K618-E908 PolarHBondContact NZ-OE2 2.97Å
909	K	30.5	Very low	30.1	Very low	203 Å²	203	124 Å²	124	88%	0.883	64%	0.643	S	S	*	*			trans	-89.4	113.2	156.2	-75.3	-171.9	174.9	-175.8	0	106.6	Q911	K909-Q911 PolarHBondContact O-N 3.2Å
910	N	26.9	Very low	30.1	Very low	134 Å²	134	125 Å²	125	72%	0.717	65%	0.645	S	S	*	*			trans	-38.5	121.1	-167.9	-54.1	8.5	0	0	0	113.6
911	Q	26	Very low	29.9	Very low	188 Å²	188	124.8 Å²	124.8	88%	0.879	64%	0.644	S	S	*	*			trans	-146.8	62.1	172.2	-172.6	152.1	94.1	0	0	110.4	K909 G913	K909-Q911 PolarHBondContact O-N 3.2Å; Q911-G913 PolarHBondContact O-N 3.1Å
912	D	26	Very low	29.6	Very low	163 Å²	163	130.9 Å²	130.9	87%	0.872	67%	0.667	S	S	*	*			trans	-59.2	131.2	170.1	-66.2	-67.8	0	0	0	110.9
913	G	23.9	Very low	29	Very low	73 Å²	73	134.1 Å²	134.1	75%	0.753	68%	0.681	S	S	*	*			trans	-174.6	15.5	-173.2	0	0	0	0	0	117	Q911	Q911-G913 PolarHBondContact O-N 3.1Å
914	Y	23.8	Very low	28.5	Very low	240 Å²	240	138.2 Å²	138.2	94%	0.941	71%	0.709	S	S	*	*			trans	-90.1	115.1	175.3	-95.3	-81.1	0	0	0	111.8
915	S	23.5	Very low	27.9	Very low	112 Å²	112	144.6 Å²	144.6	78%	0.783	73%	0.734	S	S	*	*			trans	-114.6	129.4	160	-172.1	0	0	0	0	108.5
916	T	26.4	Very low	27.4	Very low	131 Å²	131	154.1 Å²	154.1	80%	0.804	77%	0.767	S	S	*	*			trans	-77	137.6	-178.2	45.4	0	0	0	0	112.3
917	I	25.6	Very low	26.6	Very low	169 Å²	169	162.3 Å²	162.3	87%	0.867	80%	0.802	S	S	*	*			trans	-152.9	145.8	156	-113.3	161	0	0	0	109.7
918	D	26.1	Very low	26.1	Very low	133 Å²	133	165.3 Å²	165.3	71%	0.711	83%	0.825	S	S	*	*			trans	-61.9	144.7	-176.3	-82.4	-97.7	0	0	0	114.3
919	Q	24	Very low	25.7	Very low	178 Å²	178	165.1 Å²	165.1	83%	0.832	83%	0.829	S	S	*	*			trans	-109.2	91.2	162.9	-168.6	72.4	78.4	0	0	110
920	R	27.3	Very low	25.6	Very low	197 Å²	197	163.5 Å²	163.5	74%	0.743	83%	0.83	S	S	*	*			trans	-124.7	164.4	157.6	-99.5	-174.6	-83.2	-171	-4.5	109.8
921	D	26.4	Very low	25.5	Very low	135 Å²	135	159.7 Å²	159.7	72%	0.722	82%	0.822	S	S	*	*			trans	60.2	101.6	177.1	-52.6	-16	0	0	0	116.9
922	K	27.6	Very low	25.5	Very low	206 Å²	206	157 Å²	157	90%	0.896	82%	0.824	S	S	*	*				175.1	95.8	108	-91	155.2	-171.9	169.9	0	113.2
923	D	24.6	Very low	25.6	Very low	164 Å²	164	153.7 Å²	153.7	88%	0.877	82%	0.82	S	S	*	*			trans	-105	110.9	151.1	-92.3	-48.7	0	0	0	108.8
924	C	25.1	Very low	25.7	Very low	122 Å²	122	157.4 Å²	157.4	82%	0.824	82%	0.822	S	S	*	*			trans	-177.9	147.1	153.2	-107.8	0	0	0	0	114.7
925	K	24.6	Very low	25.9	Very low	200 Å²	200	153.7 Å²	153.7	87%	0.87	82%	0.818	S	S	*	*			trans	66.2	93.5	159.8	-64.4	-178.1	179	-177	0	118.8
926	Y	24.7	Very low	26.1	Very low	236 Å²	236	154.3 Å²	154.3	93%	0.925	82%	0.817	S	S	*	*			trans	-89.5	139.6	138.8	-92	-89.2	0	0	0	110.4
927	K	26.4	Very low	26.2	Very low	194 Å²	194	154.7 Å²	154.7	84%	0.843	81%	0.81	S	S	*	*			trans	151.1	115.2	140.3	-89	-167.3	173.8	-162.8	0	113.1
928	T	24.4	Very low	26.2	Very low	144 Å²	144	156.6 Å²	156.6	88%	0.883	81%	0.806	S	S	*	*				-168.5	167.9	126.2	24.4	0	0	0	0	109.2
929	D	27.1	Very low	26.1	Very low	145 Å²	145	158.9 Å²	158.9	78%	0.775	81%	0.812	S	S	*	*			trans	-108.6	-175.7	-152.2	-72	-72.1	0	0	0	117.2
930	D	26.7	Very low	26.9	Very low	169 Å²	169	155.3 Å²	155.3	90%	0.904	80%	0.804	S	S	*	*			trans	74.4	145.6	164	-67.9	-41	0	0	0	120.3
931	G	25.4	Very low	27	Very low	55 Å²	55	152.8 Å²	152.8	57%	0.567	81%	0.805	S	S	*	*			cis	173.8	175.3	-4.7	0	0	0	0	0	114.2
932	S	26	Very low	27.1	Very low	131 Å²	131	154.8 Å²	154.8	92%	0.916	81%	0.807	S	S	*	*			trans	67	158.9	-177.1	78.4	0	0	0	0	115.8
933	A	27.4	Very low	27	Very low	94 Å²	94	152 Å²	152	78%	0.777	80%	0.802	S	S	*	*			cis	171.5	164.4	-19.5	0	0	0	0	0	104.3
934	D	26	Very low	27	Very low	151 Å²	151	151.4 Å²	151.4	81%	0.807	80%	0.799	S	S	*	*			cis	-155.7	171.5	6.4	-162	-3.4	0	0	0	109.2
935	L	29.1	Very low	27.1	Very low	162 Å²	162	150.6 Å²	150.6	85%	0.848	79%	0.79	S	S	*	*			trans	-150.8	132.1	179.7	-95.2	177.5	0	0	0	116.2
936	T	27.2	Very low	27.2	Very low	125 Å²	125	146.8 Å²	146.8	77%	0.767	78%	0.78	S	S	*	*			trans	-158.4	158.5	169.6	44.9	0	0	0	0	109.3
937	E	27.8	Very low	27.3	Very low	138 Å²	138	146 Å²	146	65%	0.645	78%	0.775	S	S	*	*			cis	-161.4	157.3	-14.5	-120.4	-160.3	140.1	0	0	110.8
938	R	27.2	Very low	27.4	Very low	210 Å²	210	146.3 Å²	146.3	79%	0.792	78%	0.776	S	S	*	*			trans	75.6	152	147.5	-70.4	177.7	-163.3	-163.2	10.7	125.6
939	E	23.5	Very low	27.4	Very low	181 Å²	181	147.5 Å²	147.5	85%	0.846	77%	0.772	S	S	*	*			trans	-88.2	-157.5	178.4	-50.3	-176.7	109.4	0	0	112.4
940	P	41.6	Very low	27.2	Very low	102 Å²	102	151.9 Å²	151.9	66%	0.662	78%	0.779	S	S	*	*			cis	-149.1	165.2	3.1	40.8	-17.9	0	0	0	122.6
941	L	28.3	Very low	27.1	Very low	144 Å²	144	150.5 Å²	150.5	75%	0.754	77%	0.77	S	S	*	*			trans	70.9	146.4	136.1	-80.1	169.7	0	0	0	126.3
942	K	28.5	Very low	27	Very low	177 Å²	177	159 Å²	159	77%	0.77	79%	0.785	S	S	*	*			trans	72.5	153.2	154	-74.7	167.5	-176.7	177.4	0	118.3
943	N	25.9	Very low	26.9	Very low	147 Å²	147	156.8 Å²	156.8	79%	0.786	77%	0.769	S	S	*	*			cis	160.7	130.2	-24.9	-110.6	20.4	0	0	0	105.2
944	D	24.5	Very low	26.7	Very low	152 Å²	152	160 Å²	160	81%	0.813	77%	0.773	S	S	*	*			trans	-163.4	-174.6	137.3	-138.5	-39.5	0	0	0	112
945	T	27.7	Very low	26.7	Very low	105 Å²	105	164.1 Å²	164.1	64%	0.644	78%	0.778	S	S	*	*			trans	-140.4	178.5	-143.8	58	0	0	0	0	116
946	N	25.9	Very low	26.6	Very low	121 Å²	121	162.3 Å²	162.3	65%	0.647	78%	0.776	S	S	*	*			trans	102.6	108.6	145.1	-92.2	-73.8	0	0	0	123
947	R	27.1	Very low	26.5	Very low	218 Å²	218	160.9 Å²	160.9	82%	0.823	78%	0.777	S	S	*	*				66.4	120.4	122.8	-93.6	-175.5	177	163.7	-4.7	122.1
948	K	27.3	Very low	26.3	Very low	201 Å²	201	160.6 Å²	160.6	87%	0.874	78%	0.784	S	S	*	*				-175.2	153.9	96.5	-100.5	162.6	-173.9	174	0	113.5
949	H	24.7	Very low	26.2	Very low	170 Å²	170	156.1 Å²	156.1	79%	0.787	79%	0.785	S	S	*	*			trans	-95.7	164.4	173.9	-58	-86	0	0	0	112.5
950	Y	24	Very low	26.2	Very low	237 Å²	237	154.3 Å²	154.3	93%	0.929	78%	0.78	S	S	*	*				-147.8	169.7	128.4	-124	-87.9	0	0	0	111.2
951	I	23.9	Very low	25.5	Very low	140 Å²	140	155.5 Å²	155.5	72%	0.718	79%	0.786	S	S	*	*			trans	-134.7	161.8	-160.1	-57.8	172.4	0	0	0	110.8
952	R	23.6	Very low	25.3	Very low	232 Å²	232	155.7 Å²	155.7	88%	0.875	79%	0.787	S	S	*	*			trans	92.5	154	170.2	-67.5	-173.9	175	169.7	-2.6	117
953	S	24.1	Very low	25.2	Very low	85 Å²	85	152.1 Å²	152.1	59%	0.594	79%	0.791	S	S	*	*			cis	-177	158.8	-27.7	56.2	0	0	0	0	111.7
954	N	23.8	Very low	25.2	Very low	161 Å²	161	151 Å²	151	86%	0.861	79%	0.793	S	S	*	*			trans	81.2	144.6	159.1	-64.3	-2	0	0	0	120.8
955	R	25.7	Very low	25.3	Very low	238 Å²	238	150.7 Å²	150.7	90%	0.898	79%	0.792	S	S	*	*			trans	-82.4	161.6	167.2	-61.3	174.2	173.4	174.8	-4.3	110.6
956	P	27.3	Very low	25.4	Very low	124 Å²	124	152.2 Å²	152.2	81%	0.805	80%	0.801	S	S	*	*				-118.9	150	95.6	-4.2	25.1	0	0	0	111
957	A	24.4	Very low	25.5	Very low	95 Å²	95	154.7 Å²	154.7	79%	0.785	81%	0.806	S	S	*	*				108	154.2	51.1	0	0	0	0	0	110.1
958	V	23.9	Very low	25.6	Very low	132 Å²	132	150.4 Å²	150.4	80%	0.8	81%	0.806	S	S	*	*			trans	-111.4	148.5	-157	174.3	0	0	0	0	112.5	L960	V958-L960 HydrophobicContact CG1-CD1 3.99Å
959	S	24	Very low	25.6	Very low	117 Å²	117	149.4 Å²	149.4	82%	0.818	80%	0.804	S	S	*	*			trans	-128.6	129.4	153.2	-168	0	0	0	0	109.3
960	L	24.9	Very low	25.9	Very low	142 Å²	142	146.9 Å²	146.9	74%	0.743	80%	0.803	S	S	*	*			trans	-77.9	165.6	159.8	-74.2	77.6	0	0	0	108.8	V958	V958-L960 HydrophobicContact CG1-CD1 3.99Å
961	V	25.3	Very low	26.1	Very low	128 Å²	128	142.1 Å²	142.1	78%	0.776	80%	0.798	S	S	*	*				-165.5	131.4	109	156	0	0	0	0	107.8
962	D	24.8	Very low	26.3	Very low	147 Å²	147	142.2 Å²	142.2	79%	0.786	80%	0.8	S	S	*	*			trans	35.6	122.9	159.7	-51.3	-12.8	0	0	0	121.8
963	A	26.7	Very low	26.4	Very low	102 Å²	102	136.2 Å²	136.2	84%	0.843	79%	0.794	S	S	*	*			trans	-121.6	131.5	153.8	0	0	0	0	0	108.5
964	C	26.5	Very low	26.6	Very low	123 Å²	123	143.3 Å²	143.3	83%	0.831	81%	0.808	S	S	*	*			trans	-84	125.5	177.7	-64	0	0	0	0	111
965	D	26.6	Very low	27	Very low	147 Å²	147	145.3 Å²	145.3	79%	0.786	83%	0.825	S	S	*	*			trans	-63.4	131.3	171.2	-89.9	-40	0	0	0	111.6
966	V	30	Very low	27.1	Very low	137 Å²	137	140.7 Å²	140.7	83%	0.83	82%	0.821	S	S	*	*			trans	-125.8	102.6	163.4	-179.2	0	0	0	0	108.1
967	K	27.1	Very low	27.1	Very low	173 Å²	173	141.5 Å²	141.5	75%	0.752	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-89.3	137.7	173.3	-68.9	178.7	-179.8	173.4	0	110
968	P	30.2	Very low	27.2	Very low	127 Å²	127	144.1 Å²	144.1	83%	0.825	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69	147.6	170.4	30.2	-34.2	0	0	0	110.9
969	Q	26.4	Very low	27.4	Very low	180 Å²	180	144.8 Å²	144.8	84%	0.841	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-77.4	153.8	173.6	-72.9	178.5	-27.2	0	0	111.4
970	P	30.3	Very low	27.6	Very low	117 Å²	117	146.6 Å²	146.6	76%	0.76	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.8	156.5	169.2	31.8	-35.3	0	0	0	111
971	V	29	Very low	27.8	Very low	137 Å²	137	146.9 Å²	146.9	83%	0.83	83%	0.832	S	S	*	*			trans	-98.4	113	175.6	-174.1	0	0	0	0	108.6
972	D	27.6	Very low	28	Very low	143 Å²	143	148.2 Å²	148.2	77%	0.765	84%	0.836	S	S	*	*			trans	-65.7	134.7	175	-80.4	-54.1	0	0	0	111.3
973	S	26.2	Very low	28.2	Very low	106 Å²	106	148.3 Å²	148.3	74%	0.741	84%	0.84	S	S	*	*			trans	-131.9	123.4	174.6	54.9	0	0	0	0	109.7
974	W	28.7	Very low	28.4	Very low	234 Å²	234	152.2 Å²	152.2	89%	0.886	84%	0.839	S	S	*	*			trans	-137.6	135.2	175.9	-82.8	85.8	0	0	0	109.3
975	V	31.8	Very low	28.5	Very low	202 Å²	202	154.8 Å²	154.8	100%	1.224	84%	0.84	S	S	*	*			trans	70.6	0	-175.7	-166.1	0	0	0	0	114.4

Retrieved 975 of 975 residues in 708.4 ms (Link to these results)

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