A0A3Q0KQH8_SCHMA Loading...

Putative calmodulin

AlphaFold DB , UniProt , Accession A0A3Q0KQH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 963 aa.

						>A0A3Q0KQH8_SCHMA|A0A3Q0KQH8
MKVSNLTNTYLRFDVRFILQCLVPSISIESLKRNHSIHSLTTSHKPYNEATLKTSDNQLIIPNSIGIPHIIGNGLITNNDVIIQSSMKSDIRQIRFPSVDRIPNSSTKRTSRISTSTFSSNRSTISSNARFDIDEMIFTLHEKAIHNYRELRYNFIINDPMGIGNLRRQPVPMKQTITQIENNNDNTLVPVNQADKSMNHHVNNANKQNWSFLTELPQDVSRKSNFLLAHQVMSILRQRLLKGTLQLDNLFNLNNYDEQNQLIQRNEFFHQLTRLGLYLSNSEFLKFWKRLSPKNEPNLPIECFLNHMNLRNNSGISNAQNNNELQSNDTLLAITDTTVKSSSAAANKQTISSVNKIIPNLIKLFNKGYHNVCKAIEHCTKQYIHKHEANSTSLNNNDLLNLPNGYTNSDIFLETLKYLKLTLLKKIQIGAFFTRYGLTITSKGLLPYAELLRRFQDRTEAGVLHQMLTYSLIHRKGSFDEQNFDLQRSGTVSPENFRIILFNHYGYEFTKESFNEFLNLLPLDLNGNVKYAEFMRQFNLKSETCEPLLEQGYNDQCQIDNSNLSSTITSNNTNNNKQQSLIEETEYKPTNEVQESSINPIPPKQRTLKELEQIIREALKSNIHEIENKFYELDQYNSGRLTQEQLYQLLKVSNIRPEITRGEIRRLWPEFFVDQKHCLSFHEFMRHFLYRKSEAAYPNAKFVPPRLGDADLMPCSNKLNGVTCLIKDSLRAKIDFMFDRLYKEFIEMDPKGTGFITPKQLNDILIELCLQVSDREINDLIEKFDIHKDGKISYLALLQPFIRNRLLKSDLIHNKPVIHNLANKILGVEEVNKFKSSLLPILNEVRPKVPISQLNWNKMLRSMQKADKTNCGRLDAPIFRELYQYGTGVHLTDEQVYQLLTTLDPNISGTLPYKRLIEDTQSIINHYERKYLSKLQKVEENCSNVNEHNNKQIDNQGDHLNMN
					

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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	23.7	Very low	28.3	Very low	167 Å²	167	115.3 Å²	115.3	82%	0.823	61%	0.608	S	S	*	*				0	82.2	0	-47.9	-153.2	148.2	0	0	109.6	S342 S343	M1-S342 CarbonylContact C-O 3.55Å; M1-S342 VanDerWaalsContact CA-O 3.26Å; M1-S342 WeakPolarHBondContact CA-O 3.22Å; M1-S342 WeakPolarHBondContact CA-OG 3.41Å; M1-S342 WeakPolarHBondContact CB-OG 3.08Å; M1-S342 WeakPolarHBondContact CG-OG 3.29Å; M1-S342 VanDerWaalsContact SD-CB 3.53Å; M1-S343 VanDerWaalsContact O-CB 3.22Å; M1-S343 WeakPolarHBondContact O-CB 3.03Å; M1-S343 PolarHBondContact O-OG 3.38Å
2	K	25.7	Very low	28.4	Very low	181 Å²	181	120 Å²	120	79%	0.787	61%	0.611	S	S	*	*			trans	-157.2	128.4	177.1	-72.5	-169.5	177.8	173.5	0	112.7	S342 S343	K2-S342 PolarHBondContact N-O 3.15Å; K2-S343 CarbonylContact C-O 3.12Å; K2-S343 WeakPolarHBondContact CA-O 3.38Å
3	V	25.8	Very low	28.5	Very low	71 Å²	71	121.8 Å²	121.8	43%	0.43	61%	0.613	S	S	.	*			trans	17.1	109.1	141.6	-173.1	0	0	0	0	118.9	S343	V3-S343 PolarHBondContact N-O 3.06Å; V3-S343 VanDerWaalsContact N-O 3.09Å
4	S	25	Very low	29.2	Very low	103 Å²	103	118.4 Å²	118.4	72%	0.72	60%	0.597	S	S	*	*			trans	-171.9	116.7	147.4	47.3	0	0	0	0	112.7
5	N	29	Very low	29.7	Very low	92 Å²	92	112.5 Å²	112.5	49%	0.492	57%	0.57	S	S	.	*			trans	176.6	18.2	152.1	-104.7	-33.8	0	0	0	116.5	T7	N5-T7 PolarHBondContact O-N 3.09Å
6	L	28.4	Very low	30.2	Very low	139 Å²	139	114.2 Å²	114.2	73%	0.728	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-1.3	-175.3	-95.5	83.1	0	0	0	116.2
7	T	30.3	Very low	30.8	Very low	113 Å²	113	112 Å²	112	69%	0.693	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-21.7	-171.3	44.8	0	0	0	0	114.8	N5	N5-T7 PolarHBondContact O-N 3.09Å
8	N	31	Very low	31.3	Very low	94 Å²	94	109 Å²	109	50%	0.503	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.1	-169.3	-135.2	-28.1	0	0	0	114.2
9	T	30.7	Very low	31.7	Very low	79 Å²	79	104.5 Å²	104.5	49%	0.485	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-42.1	174.7	20.5	0	0	0	0	112.9	L11 R12 F13	T9-L11 PolarHBondContact O-N 3.18Å; T9-R12 WeakPolarHBondContact O-CA 3.42Å; T9-R12 WeakPolarHBondContact O-CB 3.08Å; T9-R12 PolarHBondContact O-N 3.4Å; T9-R12 VanDerWaalsContact O-N 3.09Å; T9-F13 PolarHBondContact O-N 2.89Å; T9-F13 VanDerWaalsContact O-N 3.11Å
10	Y	30.1	Very low	32.1	Very low	131 Å²	131	106.4 Å²	106.4	51%	0.514	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-48	-170.8	-75.1	-90.7	0	0	0	113.4	R12 F13 D14	Y10-R12 PolarHBondContact O-N 3.02Å; Y10-F13 WeakPolarHBondContact O-CA 3.07Å; Y10-F13 PolarHBondContact O-N 3.09Å; Y10-D14 PolarHBondContact O-N 3.04Å
11	L	31.3	Very low	32.4	Very low	98 Å²	98	103 Å²	103	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-60	-29	175.6	-79.8	164.6	0	0	0	113.1	T9 V15	T9-L11 PolarHBondContact O-N 3.18Å; L11-V15 WeakPolarHBondContact O-CG2 3.26Å
12	R	29.9	Very low	33.1	Very low	172 Å²	172	95.3 Å²	95.3	65%	0.649	47%	0.473	S	S	*	.	H	α-helix	trans	-77.5	-22.1	175.1	-114.9	177.4	176	179.2	-0.9	113	T9 Y10 R16	T9-R12 WeakPolarHBondContact O-CA 3.42Å; T9-R12 WeakPolarHBondContact O-CB 3.08Å; T9-R12 PolarHBondContact O-N 3.4Å; T9-R12 VanDerWaalsContact O-N 3.09Å; Y10-R12 PolarHBondContact O-N 3.02Å; R12-R16 VanDerWaalsContact O-CB 3.32Å; R12-R16 WeakPolarHBondContact O-CB 3.34Å; R12-R16 WeakPolarHBondContact O-CD 3.49Å; R12-R16 VanDerWaalsContact O-CG 3.31Å; R12-R16 WeakPolarHBondContact O-CG 3.49Å
13	F	30	Very low	33.6	Very low	143 Å²	143	88.5 Å²	88.5	63%	0.627	45%	0.447	S	S	*	.	H	α-helix	trans	-83.9	-51.4	175.2	-97	-92.9	0	0	0	111.7	T9 Y10 V15 R16 F17	T9-F13 PolarHBondContact O-N 2.89Å; T9-F13 VanDerWaalsContact O-N 3.11Å; Y10-F13 WeakPolarHBondContact O-CA 3.07Å; Y10-F13 PolarHBondContact O-N 3.09Å; F13-V15 PolarHBondContact O-N 3.08Å; F13-R16 CarbonylContact O-C 3.58Å; F13-R16 PolarHBondContact O-N 3.49Å; F13-F17 WeakPolarHBondContact O-CB 3.33Å; F13-F17 PolarHBondContact O-N 2.82Å
14	D	37.5	Very low	34	Very low	74 Å²	74	87.1 Å²	87.1	40%	0.396	44%	0.439	S	S	.	.	H	α-helix	trans	-54.3	-53.5	-178.4	-83.5	-47.2	0	0	0	112.7	Y10 R16 F17 I18	Y10-D14 PolarHBondContact O-N 3.04Å; D14-R16 VanDerWaalsContact C-N 3.33Å; D14-R16 PolarHBondContact O-N 2.89Å; D14-F17 PolarHBondContact O-N 2.65Å; D14-F17 VanDerWaalsContact O-N 3.16Å; D14-I18 WeakPolarHBondContact O-CG1 3.26Å; D14-I18 PolarHBondContact O-N 3.11Å
15	V	37.6	Very low	34.2	Very low	31 Å²	31	88 Å²	88	19%	0.188	45%	0.445	C	S	.	.	H	α-helix	trans	-69.1	-33.5	-175.4	-170.1	0	0	0	0	111	L11 F13 L19 V372 L421	L11-V15 WeakPolarHBondContact O-CG2 3.26Å; F13-V15 PolarHBondContact O-N 3.08Å; V15-L19 HydrophobicContact CG1-CD1 4.1Å; V15-L19 WeakPolarHBondContact O-CD1 3.44Å; V15-L19 PolarHBondContact O-N 3.09Å; V15-V372 HydrophobicContact CG2-CG2 4.28Å; V15-L421 HydrophobicContact CG1-CD1 4.26Å; V15-L421 HydrophobicContact CG1-CD2 4.14Å
16	R	37.6	Very low	34.2	Very low	139 Å²	139	89.3 Å²	89.3	53%	0.525	45%	0.451	S	S	.	.	H	α-helix	trans	-70.8	-39.5	170	-80.9	-175.8	165.7	-172.3	-6.1	112.5	R12 F13 D14 L19 Q20	R12-R16 VanDerWaalsContact O-CB 3.32Å; R12-R16 WeakPolarHBondContact O-CB 3.34Å; R12-R16 WeakPolarHBondContact O-CD 3.49Å; R12-R16 VanDerWaalsContact O-CG 3.31Å; R12-R16 WeakPolarHBondContact O-CG 3.49Å; F13-R16 CarbonylContact O-C 3.58Å; F13-R16 PolarHBondContact O-N 3.49Å; D14-R16 VanDerWaalsContact C-N 3.33Å; D14-R16 PolarHBondContact O-N 2.89Å; R16-L19 CarbonylContact O-C 3.48Å; R16-L19 PolarHBondContact O-N 2.94Å; R16-Q20 WeakPolarHBondContact O-CA 3.47Å; R16-Q20 WeakPolarHBondContact O-CB 3.31Å; R16-Q20 PolarHBondContact O-N 3.05Å
17	F	39.1	Very low	34.1	Very low	77 Å²	77	87.7 Å²	87.7	34%	0.338	45%	0.451	S	S	.	.	H	α-helix	trans	-66.5	-48.1	-175.3	-176.4	-93	0	0	0	110.8	F13 D14 L19 Q20 C21 H504	F13-F17 WeakPolarHBondContact O-CB 3.33Å; F13-F17 PolarHBondContact O-N 2.82Å; D14-F17 PolarHBondContact O-N 2.65Å; D14-F17 VanDerWaalsContact O-N 3.16Å; F17-L19 PolarHBondContact O-N 3.2Å; F17-Q20 PolarHBondContact O-N 3.36Å; F17-C21 WeakPolarHBondContact O-CB 3.41Å; F17-C21 PolarHBondContact O-N 3.26Å; F17-C21 PolarHBondContact O-SG 2.93Å; F17-C21 VanDerWaalsContact O-SG 3.34Å; F17-H504 AromaticContact CE1-ND1 3.77Å; F17-H504 AromaticContact CZ-CE1 3.34Å; F17-H504 WeakPolarHBondContact CZ-CE1 2.82Å; F17-H504 AromaticContact CZ-ND1 3.45Å; F17-H504 WeakPolarHBondContact CZ-ND1 3.38Å
18	I	40.6	Very low	33.8	Very low	58 Å²	58	89.1 Å²	89.1	30%	0.297	45%	0.453	S	S	.	.	H	α-helix	trans	-52.4	-46.5	173.1	-68.3	166.2	0	0	0	110	D14 L22 F455	D14-I18 WeakPolarHBondContact O-CG1 3.26Å; D14-I18 PolarHBondContact O-N 3.11Å; I18-L22 HydrophobicContact CG2-CD1 4.14Å; I18-L22 VanDerWaalsContact O-CG 3.29Å; I18-L22 WeakPolarHBondContact O-CG 3.22Å; I18-L22 PolarHBondContact O-N 3.19Å; I18-F455 HydrophobicContact CG2-CE1 3.99Å; I18-F455 HydrophobicContact CG2-CZ 4.01Å
19	L	39.1	Very low	33.5	Very low	24 Å²	24	93.1 Å²	93.1	13%	0.126	47%	0.469	C	S	.	.	H	α-helix	trans	-87.4	-21.2	-174	-79.5	118.4	0	0	0	116.3	V15 R16 F17 L22 V23 L416 L421	V15-L19 HydrophobicContact CG1-CD1 4.1Å; V15-L19 WeakPolarHBondContact O-CD1 3.44Å; V15-L19 PolarHBondContact O-N 3.09Å; R16-L19 CarbonylContact O-C 3.48Å; R16-L19 PolarHBondContact O-N 2.94Å; F17-L19 PolarHBondContact O-N 3.2Å; L19-L22 HydrophobicContact CD2-CD1 3.94Å; L19-L22 HydrophobicContact CG-CD1 3.81Å; L19-L22 PolarHBondContact O-N 3.49Å; L19-V23 PolarHBondContact O-N 3.04Å; L19-L416 HydrophobicContact CD2-CD2 3.47Å; L19-L416 VanDerWaalsContact CD2-CD2 3.47Å; L19-L421 HydrophobicContact CB-CD2 3.93Å; L19-L421 HydrophobicContact CD1-CD1 3.35Å; L19-L421 HydrophobicContact CD1-CD2 3.86Å; L19-L421 HydrophobicContact CD1-CG 4.19Å; L19-L421 HydrophobicContact CD2-CD1 3.84Å; L19-L421 HydrophobicContact CG-CD1 4.01Å; L19-L421 HydrophobicContact CG-CD2 4.3Å
20	Q	39.1	Very low	33.2	Very low	141 Å²	141	93.9 Å²	93.9	66%	0.659	48%	0.478	S	S	*	.	H	α-helix	trans	-79.6	-23.6	172.9	-170.9	167.8	-0	0	0	111.2	R16 F17	R16-Q20 WeakPolarHBondContact O-CA 3.47Å; R16-Q20 WeakPolarHBondContact O-CB 3.31Å; R16-Q20 PolarHBondContact O-N 3.05Å; F17-Q20 PolarHBondContact O-N 3.36Å
21	C	38.8	Very low	33	Very low	35 Å²	35	95.9 Å²	95.9	24%	0.236	50%	0.496	C	S	.	.	H	α-helix	trans	-80.8	-22.3	164.6	-63.2	0	0	0	0	112.7	F17 M467	F17-C21 WeakPolarHBondContact O-CB 3.41Å; F17-C21 PolarHBondContact O-N 3.26Å; F17-C21 PolarHBondContact O-SG 2.93Å; F17-C21 VanDerWaalsContact O-SG 3.34Å; C21-M467 HydrophobicContact CB-CE 3.42Å; C21-M467 VanDerWaalsContact CB-CE 3.42Å; C21-M467 WeakPolarHBondContact O-CE 3.36Å
22	L	38.7	Very low	32.8	Very low	7 Å²	7	101.2 Å²	101.2	4%	0.037	52%	0.515	C	S	.	.	H	α-helix	trans	-77.1	-21.1	177.2	-82.4	166.2	0	0	0	114.3	I18 L19 F432 Y436 F455 M467	I18-L22 HydrophobicContact CG2-CD1 4.14Å; I18-L22 VanDerWaalsContact O-CG 3.29Å; I18-L22 WeakPolarHBondContact O-CG 3.22Å; I18-L22 PolarHBondContact O-N 3.19Å; L19-L22 HydrophobicContact CD2-CD1 3.94Å; L19-L22 HydrophobicContact CG-CD1 3.81Å; L19-L22 PolarHBondContact O-N 3.49Å; L22-F432 HydrophobicContact CB-CD2 4.41Å; L22-F432 HydrophobicContact CB-CE2 3.73Å; L22-F432 HydrophobicContact CB-CZ 4.44Å; L22-F432 HydrophobicContact CD1-CE2 3.83Å; L22-F432 HydrophobicContact CD1-CZ 3.77Å; L22-F432 HydrophobicContact CD2-CE1 4.44Å; L22-F432 HydrophobicContact CD2-CE2 3.76Å; L22-F432 HydrophobicContact CD2-CZ 3.7Å; L22-F432 HydrophobicContact CG-CE2 3.97Å; L22-F432 HydrophobicContact CG-CZ 4.17Å; L22-Y436 HydrophobicContact CD2-CD2 4.11Å; L22-Y436 HydrophobicContact CD2-CE1 4.15Å; L22-Y436 HydrophobicContact CD2-CE2 3.28Å; L22-Y436 WeakPolarHBondContact CD2-OH 3.41Å; L22-Y436 PolarHBondContact O-OH 3.08Å; L22-F455 HydrophobicContact CD1-CE2 4.21Å; L22-F455 HydrophobicContact CD1-CZ 3.89Å; L22-F455 HydrophobicContact CD2-CE2 4.07Å; L22-F455 HydrophobicContact CD2-CZ 3.8Å; L22-F455 HydrophobicContact CG-CZ 4.04Å; L22-M467 HydrophobicContact CB-CE 4.2Å; L22-M467 HydrophobicContact CD2-CE 3.84Å; L22-M467 HydrophobicContact CD2-SD 3.9Å; L22-M467 HydrophobicContact CG-CE 3.62Å; L22-M467 HydrophobicContact CG-SD 4.19Å
23	V	36.2	Very low	32.7	Very low	38 Å²	38	104.6 Å²	104.6	23%	0.23	53%	0.528	C	S	.	.	S	Bend	trans	-111.6	106.2	-176.5	-178	0	0	0	0	111	L19 L424	L19-V23 PolarHBondContact O-N 3.04Å; V23-L424 HydrophobicContact CG2-CD1 4.1Å; V23-L424 HydrophobicContact CG2-CD2 4.26Å; V23-L424 HydrophobicContact CG2-CG 3.94Å
24	P	33.4	Very low	32.4	Very low	41 Å²	41	104.7 Å²	104.7	27%	0.266	54%	0.535	S	S	.	.			trans	-70.6	132.6	173	-7.8	22.4	0	0	0	110.6	I26	P24-I26 PolarHBondContact O-N 2.76Å
25	S	29.8	Very low	32	Very low	122 Å²	122	109.6 Å²	109.6	85%	0.853	56%	0.555	S	S	*	*			trans	-68.6	90	175	-54.1	0	0	0	0	111.6	S27	S25-S27 PolarHBondContact O-N 2.98Å
26	I	28.4	Very low	31.6	Very low	120 Å²	120	112.9 Å²	112.9	62%	0.615	58%	0.58	S	S	*	*			trans	-72.9	108.8	168.9	-59.5	175	0	0	0	107.9	P24 I28	P24-I26 PolarHBondContact O-N 2.76Å; I26-I28 PolarHBondContact O-N 3.07Å
27	S	26.4	Very low	31.2	Very low	104 Å²	104	113 Å²	113	73%	0.727	59%	0.59	S	S	*	*			trans	-68.8	109.4	174.8	-63.9	0	0	0	0	110	S25 E29	S25-S27 PolarHBondContact O-N 2.98Å; S27-E29 VanDerWaalsContact C-N 3.33Å; S27-E29 PolarHBondContact O-N 3.45Å
28	I	25.4	Very low	30.7	Very low	144 Å²	144	117.3 Å²	117.3	74%	0.738	61%	0.61	S	S	*	*			trans	-87.7	80.4	169.2	-56.2	176.9	0	0	0	107.1	I26	I26-I28 PolarHBondContact O-N 3.07Å
29	E	24.3	Very low	30.1	Very low	177 Å²	177	119.1 Å²	119.1	83%	0.827	63%	0.628	S	S	*	*			trans	-123.2	54.9	177.4	-161.3	145.6	-129.9	0	0	110.8	S27	S27-E29 VanDerWaalsContact C-N 3.33Å; S27-E29 PolarHBondContact O-N 3.45Å
30	S	24.6	Very low	29.5	Very low	96 Å²	96	124.8 Å²	124.8	67%	0.671	66%	0.658	S	S	*	*	S	Bend	trans	-155.2	141.5	167.3	-76.2	0	0	0	0	108.4
31	L	25.4	Very low	29.1	Very low	173 Å²	173	123.4 Å²	123.4	91%	0.906	66%	0.659	S	S	*	*	S	Bend	trans	60.8	77.1	-177.9	-58.6	124	0	0	0	116.3
32	K	27.8	Very low	28.6	Very low	209 Å²	209	127.8 Å²	127.8	91%	0.909	69%	0.685	S	S	*	*			trans	-177.7	68.4	140.2	-104.6	172.4	-175.5	-172.8	0	115.3
33	R	26.2	Very low	28.1	Very low	243 Å²	243	131.6 Å²	131.6	92%	0.917	71%	0.712	S	S	*	*			trans	-148	65.6	156.5	-77.6	-157.8	178.5	110	0.7	111.9
34	N	25.5	Very low	27.9	Very low	145 Å²	145	137.3 Å²	137.3	78%	0.775	74%	0.736	S	S	*	*			trans	-105.1	140.5	156.6	-81.4	-2.5	0	0	0	107.7
35	H	29.2	Very low	27.9	Very low	177 Å²	177	143.8 Å²	143.8	82%	0.819	76%	0.76	S	S	*	*			trans	64.4	127.5	-173.5	-43.7	-81.3	0	0	0	112.5
36	S	29.2	Very low	28	Very low	100 Å²	100	143.1 Å²	143.1	70%	0.699	75%	0.752	S	S	*	*			cis	-154.8	150.4	30.3	-93.6	0	0	0	0	114.5
37	I	28.7	Very low	27.9	Very low	143 Å²	143	148 Å²	148	73%	0.733	77%	0.765	S	S	*	*			trans	71.3	113.2	136.2	-66.9	168.4	0	0	0	119.5
38	H	28.6	Very low	28.2	Very low	166 Å²	166	149.3 Å²	149.3	77%	0.769	76%	0.763	S	S	*	*			trans	51.7	112.3	144.8	-70.1	-113.9	0	0	0	118.6
39	S	27.3	Very low	28.4	Very low	97 Å²	97	150.7 Å²	150.7	68%	0.678	77%	0.767	S	S	*	*				123.2	156.8	75.5	62.1	0	0	0	0	108.8
40	L	27.3	Very low	28.9	Very low	143 Å²	143	146.3 Å²	146.3	75%	0.749	76%	0.761	S	S	*	*			cis	-135.8	168.1	5.2	-77.7	90.4	0	0	0	111.8
41	T	29.4	Very low	29.3	Very low	111 Å²	111	147.3 Å²	147.3	68%	0.681	76%	0.763	S	S	*	*			trans	58.6	105	143.8	46.9	0	0	0	0	120.7
42	T	29	Very low	29.6	Very low	128 Å²	128	146.1 Å²	146.1	79%	0.785	76%	0.757	S	S	*	*				73.8	142.9	88.3	56.7	0	0	0	0	116.5
43	S	27.8	Very low	29.9	Very low	86 Å²	86	144.1 Å²	144.1	60%	0.601	75%	0.748	S	S	*	*			cis	-173.3	170.4	-8.5	50.7	0	0	0	0	112
44	H	32.4	Very low	30.3	Very low	159 Å²	159	138.4 Å²	138.4	74%	0.736	74%	0.741	S	S	*	*			trans	72.2	151.5	163.7	-61	-41.5	0	0	0	118.3
45	K	32.9	Very low	30.7	Very low	177 Å²	177	136.1 Å²	136.1	77%	0.77	74%	0.736	S	S	*	*			cis	-154.5	165.2	-8.4	-118.6	168.4	-169.2	-178.4	0	110.8
46	P	32.8	Very low	30.8	Very low	107 Å²	107	134.2 Å²	134.2	70%	0.695	73%	0.732	S	S	*	*			trans	-131.1	171.2	-167.9	43	-28	0	0	0	118.4
47	Y	26.1	Very low	31	Very low	224 Å²	224	135.6 Å²	135.6	88%	0.878	73%	0.731	S	S	*	*			trans	73.9	162.5	155.4	-89.9	-72.3	0	0	0	123
48	N	31.9	Very low	30.9	Very low	130 Å²	130	136 Å²	136	70%	0.695	73%	0.73	S	S	*	*			trans	85.7	142.9	-176.3	-61.6	25.7	0	0	0	115.3
49	E	31	Very low	30.9	Very low	174 Å²	174	135.3 Å²	135.3	81%	0.813	73%	0.731	S	S	*	*			cis	-150.4	-174.6	5.4	-134.1	154.2	-118.4	0	0	114
50	A	32.9	Very low	30.9	Very low	85 Å²	85	136.2 Å²	136.2	70%	0.702	73%	0.727	S	S	*	*			trans	-83.8	-177.1	-165.2	0	0	0	0	0	115.1
51	T	33.7	Very low	30.9	Very low	117 Å²	117	137.2 Å²	137.2	72%	0.718	73%	0.732	S	S	*	*			cis	-161.8	150	32.2	40.8	0	0	0	0	115.1
52	L	31.5	Very low	31.1	Very low	147 Å²	147	137 Å²	137	77%	0.77	73%	0.732	S	S	*	*			trans	59.6	143.9	145.7	-59.6	164	0	0	0	118.9
53	K	34.2	Very low	31	Very low	168 Å²	168	137.6 Å²	137.6	73%	0.73	73%	0.731	S	S	*	*			cis	-160.6	142.8	16	-136.1	164.9	-173.4	178.7	0	110.7
54	T	34.2	Very low	31	Very low	123 Å²	123	138.2 Å²	138.2	76%	0.755	74%	0.735	S	S	*	*			trans	35.5	144.2	145.1	53.1	0	0	0	0	121.2
55	S	34.3	Very low	30.9	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	74%	0.742	S	S	*	*			cis	169.2	158.6	-1.6	50.5	0	0	0	0	105.8
56	D	32.6	Very low	30.7	Very low	137 Å²	137	134 Å²	134	73%	0.733	74%	0.741	S	S	*	*			cis	-170	162.5	-4.4	-114	48	0	0	0	106.1
57	N	32.3	Very low	30.5	Very low	129 Å²	129	136.7 Å²	136.7	69%	0.69	75%	0.749	S	S	*	*			cis	-149.5	-145.5	-6.3	-158.7	-63.9	0	0	0	107.3
58	Q	26.1	Very low	30.9	Very low	152 Å²	152	130.9 Å²	130.9	71%	0.71	74%	0.738	S	S	*	*			trans	-133.5	166.6	167.4	-66.9	-177.1	-1.4	0	0	111.1
59	L	29.6	Very low	30.7	Very low	150 Å²	150	129 Å²	129	79%	0.785	73%	0.725	S	S	*	*			trans	150.4	163.6	134.6	-95.5	96.6	0	0	0	111.6
60	I	27.2	Very low	30.6	Very low	117 Å²	117	125.5 Å²	125.5	60%	0.6	71%	0.711	S	S	*	*			cis	175.9	149.9	-48.9	-104.9	169.3	0	0	0	108.6
61	I	27.8	Very low	30.6	Very low	164 Å²	164	128.6 Å²	128.6	84%	0.841	71%	0.714	S	S	*	*			trans	66.3	158.6	179.1	37.2	-179.2	0	0	0	119.3
62	P	32.8	Very low	30.4	Very low	105 Å²	105	125.4 Å²	125.4	68%	0.682	70%	0.704	S	S	*	*			trans	-143.2	-141	-130.5	46.1	-22.6	0	0	0	114.9
63	N	27.5	Very low	30.3	Very low	142 Å²	142	126 Å²	126	76%	0.759	71%	0.708	S	S	*	*			trans	86.4	105.8	161.9	-73.8	-14	0	0	0	120
64	S	27.8	Very low	30.2	Very low	98 Å²	98	121.5 Å²	121.5	69%	0.685	71%	0.71	S	S	*	*				87.5	146.8	121.2	80.1	0	0	0	0	121.7
65	I	29.1	Very low	30.1	Very low	173 Å²	173	123.2 Å²	123.2	89%	0.887	71%	0.713	S	S	*	*			trans	72.5	139	165.1	-54.5	154.7	0	0	0	115.8
66	G	29	Very low	29.9	Very low	74 Å²	74	125.1 Å²	125.1	76%	0.763	72%	0.715	S	S	*	*			trans	127.5	86.3	161.9	0	0	0	0	0	117.6
67	I	28.8	Very low	30	Very low	165 Å²	165	124.5 Å²	124.5	85%	0.846	72%	0.716	S	S	*	*			trans	-99.9	145.7	166.7	-77.3	170.6	0	0	0	107.4
68	P	33.6	Very low	29.8	Very low	101 Å²	101	124.8 Å²	124.8	66%	0.656	72%	0.718	S	S	*	*			cis	-145.1	-155.8	-22.6	40.9	-19.3	0	0	0	114
69	H	27.9	Very low	29.9	Very low	90 Å²	90	123.9 Å²	123.9	42%	0.417	72%	0.717	S	S	.	*			trans	96.1	145.4	141.1	-105.1	-27.5	0	0	0	123.5	N121 S123	H69-N121 PolarHBondContact ND1-OD1 3.45Å; H69-S123 PolarHBondContact CE1-N 3.18Å; H69-S123 PolarHBondContact NE2-N 3.41Å; H69-S123 VanDerWaalsContact NE2-N 3.11Å
70	I	29.6	Very low	29.9	Very low	102 Å²	102	123.6 Å²	123.6	52%	0.523	72%	0.717	S	S	.	*			trans	92.1	119.1	149.4	-71.2	161.6	0	0	0	120.2	N121	I70-N121 PolarHBondContact N-OD1 2.91Å; I70-N121 VanDerWaalsContact N-OD1 3.16Å
71	I	32.2	Very low	30.2	Very low	150 Å²	150	123 Å²	123	77%	0.769	72%	0.718	S	S	*	*			trans	63.6	145.1	162.5	-65.4	162.4	0	0	0	117	N121	I71-N121 PolarHBondContact N-ND2 3.06Å; I71-N121 VanDerWaalsContact N-ND2 3.15Å
72	G	30.5	Very low	30.3	Very low	49 Å²	49	122.4 Å²	122.4	51%	0.505	72%	0.715	S	S	.	*			cis	167.9	149.2	-12	0	0	0	0	0	113.7
73	N	30	Very low	30.2	Very low	159 Å²	159	124.6 Å²	124.6	85%	0.85	72%	0.72	S	S	*	*			trans	31.3	130.1	162.5	-56.5	-6	0	0	0	122.4
74	G	32.1	Very low	30	Very low	75 Å²	75	127 Å²	127	77%	0.773	73%	0.726	S	S	*	*			trans	-167.6	34.2	-179.5	0	0	0	0	0	123.1
75	L	31.1	Very low	30.1	Very low	158 Å²	158	127.9 Å²	127.9	83%	0.827	73%	0.733	S	S	*	*			trans	48.9	109.5	147.3	-63.5	172.9	0	0	0	124.8
76	I	31	Very low	30	Very low	138 Å²	138	124.7 Å²	124.7	71%	0.708	73%	0.726	S	S	*	*			trans	57.8	146.3	134	-21.1	178.4	0	0	0	123.6
77	T	33.4	Very low	29.9	Very low	124 Å²	124	130.4 Å²	130.4	76%	0.761	74%	0.735	S	S	*	*			trans	89.9	146.2	155	67.3	0	0	0	0	119.5
78	N	28.7	Very low	29.8	Very low	135 Å²	135	132.2 Å²	132.2	72%	0.722	74%	0.737	S	S	*	*			cis	-164.9	159.7	-38.6	-122.8	4	0	0	0	111.5
79	N	27.9	Very low	29.6	Very low	132 Å²	132	132.3 Å²	132.3	71%	0.706	74%	0.74	S	S	*	*			trans	73.2	163.6	158.3	-63.4	-3.6	0	0	0	121.4
80	D	30.7	Very low	29.6	Very low	144 Å²	144	134.5 Å²	134.5	77%	0.77	75%	0.754	S	S	*	*			trans	77.3	138.7	157.9	-67	-5.3	0	0	0	121.5
81	V	32.7	Very low	29.6	Very low	104 Å²	104	137 Å²	137	63%	0.63	77%	0.767	S	S	*	*			cis	-167.4	137.2	-23	103.7	0	0	0	0	111.7
82	I	29.2	Very low	29.2	Very low	152 Å²	152	140.7 Å²	140.7	78%	0.779	77%	0.771	S	S	*	*			trans	61	152	156.8	-45.8	165.5	0	0	0	114.7
83	I	30.7	Very low	29	Very low	151 Å²	151	147.2 Å²	147.2	77%	0.774	79%	0.789	S	S	*	*			cis	-146	148.6	41.1	-61.6	156.3	0	0	0	111.4
84	Q	24.2	Very low	29	Very low	192 Å²	192	146.8 Å²	146.8	90%	0.897	79%	0.785	S	S	*	*			trans	-117.2	141.7	164.3	-71.3	-172	-55.8	0	0	111.6
85	S	30.1	Very low	28.7	Very low	117 Å²	117	154.7 Å²	154.7	82%	0.818	79%	0.792	S	S	*	*			trans	-172.6	168.7	145.8	55.8	0	0	0	0	110.8
86	S	26.4	Very low	28.3	Very low	107 Å²	107	156.5 Å²	156.5	75%	0.748	79%	0.793	S	S	*	*			cis	-177.6	118.4	-46.8	175.5	0	0	0	0	108.8
87	M	27.3	Very low	28.4	Very low	193 Å²	193	155.1 Å²	155.1	95%	0.951	79%	0.793	S	S	*	*			trans	-148	141.1	151.5	-81.7	-148.2	167	0	0	111.4
88	K	26.5	Very low	28.1	Very low	204 Å²	204	154.5 Å²	154.5	89%	0.887	79%	0.794	S	S	*	*			trans	-152.8	132.5	-179.7	-90.8	-177.7	172.7	177.9	0	108.7
89	S	29.5	Very low	28.1	Very low	102 Å²	102	153.8 Å²	153.8	71%	0.713	79%	0.794	S	S	*	*			trans	-166.8	163.6	139.3	54.1	0	0	0	0	111.4
90	D	28.5	Very low	28.3	Very low	136 Å²	136	152.9 Å²	152.9	73%	0.727	79%	0.789	S	S	*	*			trans	82.4	135	163.9	-52.9	-18	0	0	0	119.6
91	I	28.1	Very low	28.3	Very low	154 Å²	154	156 Å²	156	79%	0.79	79%	0.79	S	S	*	*			cis	-146.1	168.7	-18.5	-119.6	158.5	0	0	0	108.9
92	R	24	Very low	28.2	Very low	228 Å²	228	158.4 Å²	158.4	86%	0.86	80%	0.798	S	S	*	*			trans	-86	173.4	-168.2	-60.6	177.8	178.7	175.2	-0.5	115
93	Q	27.6	Very low	28.5	Very low	187 Å²	187	155.7 Å²	155.7	87%	0.874	79%	0.79	S	S	*	*			trans	102.6	138.4	176.9	-59.5	174.9	66	0	0	112.3
94	I	29	Very low	28.5	Very low	150 Å²	150	155.1 Å²	155.1	77%	0.769	79%	0.789	S	S	*	*			cis	-134.8	112.4	9.2	-56.5	168.1	0	0	0	107.7
95	R	25.3	Very low	28.7	Very low	241 Å²	241	151 Å²	151	91%	0.909	78%	0.781	S	S	*	*				60.9	110.2	91.6	-148.8	-179.6	-159.6	-171.8	6.2	117.5
96	F	24.2	Very low	28.9	Very low	195 Å²	195	150.2 Å²	150.2	86%	0.855	78%	0.776	S	S	*	*			trans	-105.7	154.8	162.5	-73.1	-93.7	0	0	0	111.1
97	P	32.7	Very low	29.2	Very low	110 Å²	110	150.4 Å²	150.4	71%	0.714	77%	0.773	S	S	*	*			trans	-98.2	148.1	147	37.3	-29.3	0	0	0	110.1
98	S	27.3	Very low	29.2	Very low	110 Å²	110	150.1 Å²	150.1	77%	0.769	77%	0.766	S	S	*	*			cis	75	135.4	32.3	-53.9	0	0	0	0	114.3
99	V	28.6	Very low	29.4	Very low	121 Å²	121	151 Å²	151	73%	0.733	76%	0.763	S	S	*	*			cis	-162.2	144.1	-11.9	118.5	0	0	0	0	107.9
100	D	32.3	Very low	29.2	Very low	113 Å²	113	151.7 Å²	151.7	60%	0.604	76%	0.764	S	S	*	*			trans	175.4	111.5	135.8	-94.8	-19.8	0	0	0	109.2
101	R	30.5	Very low	29.1	Very low	210 Å²	210	150.1 Å²	150.1	79%	0.792	76%	0.763	S	S	*	*				89.4	129.4	99.9	-77.3	177.4	-154.3	-133.8	3.2	112.5
102	I	29.9	Very low	29.1	Very low	153 Å²	153	153 Å²	153	79%	0.785	77%	0.765	S	S	*	*			cis	134	135.2	11.8	-98.6	172.1	0	0	0	105.8
103	P	35.4	Very low	29.2	Very low	96 Å²	96	148.5 Å²	148.5	62%	0.623	76%	0.756	S	S	*	*				-137.3	-163.2	-58.9	31.7	-7.7	0	0	0	110.1
104	N	31.5	Very low	29.2	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	75%	0.748	S	S	*	*				165.1	106.8	126.1	-84.8	-17.8	0	0	0	108.3
105	S	27.8	Very low	29	Very low	106 Å²	106	142.5 Å²	142.5	74%	0.741	74%	0.743	S	S	*	*				75.3	133.4	92.1	80.7	0	0	0	0	112.8
106	S	34.3	Very low	29.1	Very low	101 Å²	101	135.3 Å²	135.3	71%	0.706	73%	0.73	S	S	*	*			cis	-147.8	158.6	30.4	53.7	0	0	0	0	114.5
107	T	33.7	Very low	29.3	Very low	111 Å²	111	131.4 Å²	131.4	68%	0.681	72%	0.723	S	S	*	*			trans	48.6	116.6	152	40.8	0	0	0	0	119.8
108	K	27.4	Very low	29	Very low	186 Å²	186	134.6 Å²	134.6	81%	0.809	73%	0.725	S	S	*	*				54.4	125.6	71.5	-60.5	171.7	-178.5	173.3	0	111.1
109	R	29	Very low	29	Very low	222 Å²	222	133.3 Å²	133.3	84%	0.838	72%	0.716	S	S	*	*			cis	-146.8	134.9	23.9	-95.9	137.1	165.6	-178.8	-6.1	107.3
110	T	25.4	Very low	29	Very low	118 Å²	118	131.2 Å²	131.2	72%	0.724	71%	0.707	S	S	*	*				48.9	140.2	77.2	71.1	0	0	0	0	115.4
111	S	28	Very low	28.6	Very low	102 Å²	102	129.3 Å²	129.3	71%	0.713	70%	0.697	S	S	*	*			trans	87.5	143.4	173	85.2	0	0	0	0	116.1
112	R	26.5	Very low	28.5	Very low	216 Å²	216	129.3 Å²	129.3	82%	0.815	70%	0.697	S	S	*	*			cis	-161.4	165.9	-11.3	-115	166.9	-170.7	148.4	-3.4	109.6
113	I	26.7	Very low	28.6	Very low	133 Å²	133	125.7 Å²	125.7	68%	0.682	69%	0.685	S	S	*	*			trans	15.7	118.7	138.7	-47.8	158.9	0	0	0	114.8
114	S	27.5	Very low	28.2	Very low	100 Å²	100	128 Å²	128	70%	0.699	70%	0.697	S	S	*	*				-155.6	140.5	71.6	-68.8	0	0	0	0	110.3
115	T	25.6	Very low	28.1	Very low	110 Å²	110	128.5 Å²	128.5	68%	0.675	70%	0.698	S	S	*	*				66.6	123.9	59	68.5	0	0	0	0	116.7
116	S	27	Very low	28.1	Very low	91 Å²	91	126.9 Å²	126.9	64%	0.636	69%	0.687	S	S	*	*			trans	65.9	118	142.5	60.3	0	0	0	0	122.6
117	T	27.4	Very low	28.2	Very low	113 Å²	113	126.4 Å²	126.4	69%	0.693	68%	0.684	S	S	*	*			trans	61.8	143.6	133.1	62.5	0	0	0	0	119.2
118	F	26.9	Very low	28.1	Very low	177 Å²	177	126.4 Å²	126.4	78%	0.776	68%	0.68	S	S	*	*			cis	-138.8	144.9	32.1	-93.7	-104.6	0	0	0	110.1
119	S	28.1	Very low	28.6	Very low	83 Å²	83	119.4 Å²	119.4	58%	0.58	66%	0.656	S	S	*	*				57.6	133.4	93.6	-41.5	0	0	0	0	114.3
120	S	27.3	Very low	29.1	Very low	76 Å²	76	118.3 Å²	118.3	53%	0.531	65%	0.652	S	S	.	*			cis	-176	174.6	48.5	57.2	0	0	0	0	114.1
121	N	25.3	Very low	29.7	Very low	73 Å²	73	120.6 Å²	120.6	39%	0.39	65%	0.653	S	S	.	*			trans	65.6	90.5	152.1	-66.9	-61.2	0	0	0	120.9	H69 I70 I71	H69-N121 PolarHBondContact ND1-OD1 3.45Å; I70-N121 PolarHBondContact N-OD1 2.91Å; I70-N121 VanDerWaalsContact N-OD1 3.16Å; I71-N121 PolarHBondContact N-ND2 3.06Å; I71-N121 VanDerWaalsContact N-ND2 3.15Å
122	R	28	Very low	30.8	Very low	211 Å²	211	120.1 Å²	120.1	80%	0.796	64%	0.642	S	S	*	*				-161.6	138.2	109.8	-126.8	-179.9	179.9	-174	-1.4	114.7
123	S	32.1	Very low	32	Very low	76 Å²	76	114.3 Å²	114.3	53%	0.531	63%	0.626	S	S	.	*			trans	32	113.2	154.4	55.5	0	0	0	0	120	H69	H69-S123 PolarHBondContact CE1-N 3.18Å; H69-S123 PolarHBondContact NE2-N 3.41Å; H69-S123 VanDerWaalsContact NE2-N 3.11Å
124	T	26.6	Very low	33.3	Very low	145 Å²	145	113.3 Å²	113.3	89%	0.89	62%	0.622	S	S	*	*			trans	-62	125.9	163.4	47.1	0	0	0	0	112.9
125	I	28.7	Very low	34.7	Very low	148 Å²	148	115 Å²	115	76%	0.759	62%	0.619	S	S	*	*			trans	-127	147	155.4	-69.4	-178.5	0	0	0	107.1	A129	I125-A129 HydrophobicContact CG2-CB 4.42Å
126	S	28.9	Very low	36.1	Very low	73 Å²	73	115.6 Å²	115.6	51%	0.51	62%	0.615	S	S	.	*			trans	-47.6	137.1	-171.4	-179.4	0	0	0	0	114	N128 A129	S126-N128 PolarHBondContact O-N 2.84Å; S126-N128 VanDerWaalsContact O-N 3.16Å; S126-N128 PolarHBondContact OG-N 3.47Å; S126-A129 PolarHBondContact O-N 3.24Å
127	S	35.4	Very low	38	Very low	90 Å²	90	115.9 Å²	115.9	63%	0.629	61%	0.609	S	S	*	*	S	Bend	trans	-60	-20.7	174.1	46.3	0	0	0	0	113.9
128	N	33.5	Very low	39.9	Very low	112 Å²	112	117.1 Å²	117.1	60%	0.599	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-42.7	179	-60.8	13.3	0	0	0	110.8	S126 R130 F131	S126-N128 PolarHBondContact O-N 2.84Å; S126-N128 VanDerWaalsContact O-N 3.16Å; S126-N128 PolarHBondContact OG-N 3.47Å; N128-R130 PolarHBondContact O-N 2.87Å; N128-F131 PolarHBondContact O-N 3.06Å
129	A	37.8	Very low	41.7	Very low	38 Å²	38	111.2 Å²	111.2	31%	0.314	58%	0.584	S	S	.	*	H	α-helix	trans	-63.8	-9.1	-175.8	0	0	0	0	0	114.6	I125 S126 D132 I133	I125-A129 HydrophobicContact CG2-CB 4.42Å; S126-A129 PolarHBondContact O-N 3.24Å; A129-D132 WeakPolarHBondContact CA-OD2 3.32Å; A129-I133 WeakPolarHBondContact O-CD1 3.33Å; A129-I133 WeakPolarHBondContact O-CG1 3.48Å
130	R	37.7	Very low	43.5	Very low	199 Å²	199	111 Å²	111	75%	0.751	58%	0.576	S	S	*	*	H	α-helix	trans	-90.3	-19.2	177.1	-159.1	169	-172.3	144.6	3.6	113.4	N128	N128-R130 PolarHBondContact O-N 2.87Å
131	F	38.2	Very low	45.4	Very low	167 Å²	167	113.3 Å²	113.3	73%	0.732	58%	0.578	S	S	*	*	H	α-helix	trans	-80.4	-37.8	171.2	-76.4	-87.1	0	0	0	111.1	N128 I133 D134 E135	N128-F131 PolarHBondContact O-N 3.06Å; F131-I133 PolarHBondContact O-N 3.02Å; F131-D134 PolarHBondContact O-N 3.5Å; F131-E135 PolarHBondContact O-N 3.42Å
132	D	51.2	Low	47.4	Very low	92 Å²	92	114.1 Å²	114.1	49%	0.492	58%	0.579	S	S	.	*	H	α-helix	trans	-57.1	-33.9	176.3	-56.9	-38.5	0	0	0	112.9	A129 M136	A129-D132 WeakPolarHBondContact CA-OD2 3.32Å; D132-M136 VanDerWaalsContact O-CB 3.26Å; D132-M136 WeakPolarHBondContact O-CB 3.48Å; D132-M136 VanDerWaalsContact O-CG 3.3Å; D132-M136 WeakPolarHBondContact O-CG 3.14Å; D132-M136 PolarHBondContact O-N 3.49Å
133	I	52.7	Low	48.9	Very low	93 Å²	93	110.4 Å²	110.4	48%	0.477	57%	0.569	S	S	.	*	H	α-helix	trans	-67.5	-45.7	-176.4	-70.4	167.5	0	0	0	111.9	A129 F131 M136 I137	A129-I133 WeakPolarHBondContact O-CD1 3.33Å; A129-I133 WeakPolarHBondContact O-CG1 3.48Å; F131-I133 PolarHBondContact O-N 3.02Å; I133-M136 PolarHBondContact O-N 3.03Å; I133-I137 HydrophobicContact CG2-CD1 3.79Å; I133-I137 WeakPolarHBondContact O-CB 3.47Å; I133-I137 VanDerWaalsContact O-CG1 3.24Å; I133-I137 WeakPolarHBondContact O-CG1 3.37Å; I133-I137 PolarHBondContact O-N 3.18Å
134	D	53.7	Low	50.7	Low	112 Å²	112	108.1 Å²	108.1	60%	0.599	55%	0.554	S	S	*	*	H	α-helix	trans	-71.8	-33.9	-178.6	-71.1	-29.3	0	0	0	111.1	F131 I137 F138	F131-D134 PolarHBondContact O-N 3.5Å; D134-I137 PolarHBondContact O-N 2.66Å; D134-F138 WeakPolarHBondContact O-CB 3.34Å; D134-F138 PolarHBondContact O-N 2.71Å
135	E	56.7	Low	52.5	Low	135 Å²	135	105.9 Å²	105.9	63%	0.631	54%	0.536	S	S	*	.	H	α-helix	trans	-68.9	-39.2	172	-171.3	171.9	168.1	0	0	112.2	F131 F138 T139	F131-E135 PolarHBondContact O-N 3.42Å; E135-F138 PolarHBondContact O-N 2.85Å; E135-T139 VanDerWaalsContact O-CB 3.28Å; E135-T139 WeakPolarHBondContact O-CB 3.5Å; E135-T139 PolarHBondContact O-N 3.44Å; E135-T139 PolarHBondContact O-OG1 3.38Å
136	M	54.2	Low	53.9	Low	123 Å²	123	105 Å²	105	61%	0.606	53%	0.529	S	S	*	.	H	α-helix	trans	-61.8	-43.4	170.8	-84.3	-175	60.7	0	0	112	D132 I133 T139 L140	D132-M136 VanDerWaalsContact O-CB 3.26Å; D132-M136 WeakPolarHBondContact O-CB 3.48Å; D132-M136 VanDerWaalsContact O-CG 3.3Å; D132-M136 WeakPolarHBondContact O-CG 3.14Å; D132-M136 PolarHBondContact O-N 3.49Å; I133-M136 PolarHBondContact O-N 3.03Å; M136-T139 PolarHBondContact O-N 3.18Å; M136-L140 VanDerWaalsContact O-CB 3.31Å; M136-L140 WeakPolarHBondContact O-CB 3.34Å; M136-L140 PolarHBondContact O-N 3.13Å
137	I	67.9	Low	55.2	Low	97 Å²	97	105.4 Å²	105.4	50%	0.497	53%	0.525	S	S	.	.	H	α-helix	trans	-62.7	-47.2	177.2	-73.4	165.4	0	0	0	110.3	I133 D134 T139 L140 H141	I133-I137 HydrophobicContact CG2-CD1 3.79Å; I133-I137 WeakPolarHBondContact O-CB 3.47Å; I133-I137 VanDerWaalsContact O-CG1 3.24Å; I133-I137 WeakPolarHBondContact O-CG1 3.37Å; I133-I137 PolarHBondContact O-N 3.18Å; D134-I137 PolarHBondContact O-N 2.66Å; I137-T139 PolarHBondContact O-N 2.97Å; I137-L140 PolarHBondContact O-N 3.29Å; I137-H141 WeakPolarHBondContact O-CB 3.3Å; I137-H141 PolarHBondContact O-N 3.18Å
138	F	67.9	Low	56.5	Low	139 Å²	139	108.2 Å²	108.2	61%	0.61	52%	0.523	S	S	*	.	H	α-helix	trans	-59.6	-46.9	176.5	-175	-96	0	0	0	111.8	D134 E135 L140 H141 E142	D134-F138 WeakPolarHBondContact O-CB 3.34Å; D134-F138 PolarHBondContact O-N 2.71Å; E135-F138 PolarHBondContact O-N 2.85Å; F138-L140 PolarHBondContact O-N 2.98Å; F138-H141 WeakPolarHBondContact O-CB 3.34Å; F138-H141 PolarHBondContact O-N 3.38Å; F138-H141 VanDerWaalsContact O-N 3.13Å; F138-E142 HydrophobicContact CD1-CG 4.44Å; F138-E142 HydrophobicContact CE1-CG 4Å; F138-E142 HydrophobicContact CZ-CG 4.2Å; F138-E142 PolarHBondContact O-N 3.23Å
139	T	64.3	Low	57.9	Low	54 Å²	54	113.4 Å²	113.4	33%	0.331	53%	0.534	S	S	.	.	H	α-helix	trans	-64.8	-37.5	178.5	-57.6	0	0	0	0	112.5	E135 M136 I137 K143	E135-T139 VanDerWaalsContact O-CB 3.28Å; E135-T139 WeakPolarHBondContact O-CB 3.5Å; E135-T139 PolarHBondContact O-N 3.44Å; E135-T139 PolarHBondContact O-OG1 3.38Å; M136-T139 PolarHBondContact O-N 3.18Å; I137-T139 PolarHBondContact O-N 2.97Å; T139-K143 HydrophobicContact CG2-CD 4.2Å; T139-K143 WeakPolarHBondContact O-CB 3.4Å; T139-K143 WeakPolarHBondContact O-CG 3.35Å; T139-K143 PolarHBondContact O-N 3.42Å; T139-K143 VanDerWaalsContact O-N 3.09Å
140	L	64.5	Low	59	Low	79 Å²	79	116.8 Å²	116.8	41%	0.414	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-38.6	172.1	-96.2	162	0	0	0	111.6	M136 I137 F138 K143 A144 L151	M136-L140 VanDerWaalsContact O-CB 3.31Å; M136-L140 WeakPolarHBondContact O-CB 3.34Å; M136-L140 PolarHBondContact O-N 3.13Å; I137-L140 PolarHBondContact O-N 3.29Å; F138-L140 PolarHBondContact O-N 2.98Å; L140-K143 PolarHBondContact O-N 3.33Å; L140-A144 WeakPolarHBondContact O-CB 3.31Å; L140-A144 PolarHBondContact O-N 3.31Å; L140-L151 HydrophobicContact CD2-CD1 4.46Å
141	H	68.9	Low	60.2	Low	123 Å²	123	109.4 Å²	109.4	57%	0.569	52%	0.519	S	S	*	.	H	α-helix	trans	-67.5	-47	-179.7	-157.5	-84.6	0	0	0	111.4	I137 F138 A144 I145	I137-H141 WeakPolarHBondContact O-CB 3.3Å; I137-H141 PolarHBondContact O-N 3.18Å; F138-H141 WeakPolarHBondContact O-CB 3.34Å; F138-H141 PolarHBondContact O-N 3.38Å; F138-H141 VanDerWaalsContact O-N 3.13Å; H141-A144 PolarHBondContact O-N 3.07Å; H141-I145 VanDerWaalsContact O-CG1 3.28Å; H141-I145 WeakPolarHBondContact O-CG1 3.47Å; H141-I145 PolarHBondContact O-N 3.38Å
142	E	67.4	Low	61.6	Low	91 Å²	91	108.5 Å²	108.5	43%	0.425	51%	0.51	S	S	.	.	H	α-helix	trans	-57.8	-47.9	172.3	-79.7	-72.3	100.8	0	0	112.2	F138 A144 I145 H146	F138-E142 HydrophobicContact CD1-CG 4.44Å; F138-E142 HydrophobicContact CE1-CG 4Å; F138-E142 HydrophobicContact CZ-CG 4.2Å; F138-E142 PolarHBondContact O-N 3.23Å; E142-A144 VanDerWaalsContact C-N 3.33Å; E142-A144 PolarHBondContact O-N 3.42Å; E142-I145 PolarHBondContact O-N 2.93Å; E142-H146 PolarHBondContact O-N 3.26Å
143	K	59.4	Low	62.4	Low	132 Å²	132	110.8 Å²	110.8	57%	0.574	51%	0.513	S	S	*	.	H	α-helix	trans	-67.2	-32.7	178	-72.4	178.4	-179.9	178.6	0	112.7	T139 L140 N147	T139-K143 HydrophobicContact CG2-CD 4.2Å; T139-K143 WeakPolarHBondContact O-CB 3.4Å; T139-K143 WeakPolarHBondContact O-CG 3.35Å; T139-K143 PolarHBondContact O-N 3.42Å; T139-K143 VanDerWaalsContact O-N 3.09Å; L140-K143 PolarHBondContact O-N 3.33Å; K143-N147 PolarHBondContact O-N 3.22Å
144	A	68.1	Low	62.9	Low	28 Å²	28	110 Å²	110	23%	0.231	51%	0.509	C	S	.	.	H	α-helix	trans	-69.6	-39.2	174.9	0	0	0	0	0	112.2	L140 H141 E142 H146 Y148 L151	L140-A144 WeakPolarHBondContact O-CB 3.31Å; L140-A144 PolarHBondContact O-N 3.31Å; H141-A144 PolarHBondContact O-N 3.07Å; E142-A144 VanDerWaalsContact C-N 3.33Å; E142-A144 PolarHBondContact O-N 3.42Å; A144-H146 PolarHBondContact O-N 3.19Å; A144-Y148 WeakPolarHBondContact O-CA 3.43Å; A144-Y148 WeakPolarHBondContact O-CB 3.45Å; A144-Y148 PolarHBondContact O-N 2.86Å; A144-Y148 VanDerWaalsContact O-N 3.13Å; A144-L151 HydrophobicContact CB-CD2 4.02Å
145	I	65	Low	63.4	Low	98 Å²	98	109.3 Å²	109.3	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-56	-37.5	176.5	-74.9	162.8	0	0	0	111.4	H141 E142	H141-I145 VanDerWaalsContact O-CG1 3.28Å; H141-I145 WeakPolarHBondContact O-CG1 3.47Å; H141-I145 PolarHBondContact O-N 3.38Å; E142-I145 PolarHBondContact O-N 2.93Å
146	H	57.7	Low	63.8	Low	131 Å²	131	107.2 Å²	107.2	61%	0.606	49%	0.494	S	S	*	.	H	α-helix	trans	-97.7	-38.8	-176.2	-68.3	-57.1	0	0	0	115.1	E142 A144	E142-H146 PolarHBondContact O-N 3.26Å; A144-H146 PolarHBondContact O-N 3.19Å
147	N	57.6	Low	64.2	Low	81 Å²	81	104.2 Å²	104.2	43%	0.433	48%	0.48	S	S	.	.	H	α-helix	trans	-118	24.5	-173.3	-75.6	36.5	0	0	0	114.4	K143 R149 E150 L151	K143-N147 PolarHBondContact O-N 3.22Å; N147-R149 VanDerWaalsContact C-N 3.26Å; N147-R149 PolarHBondContact O-N 3.43Å; N147-E150 HydrophobicContact CB-CB 4.47Å; N147-E150 PolarHBondContact ND2-OE2 2.95Å; N147-E150 PolarHBondContact O-N 2.79Å; N147-L151 PolarHBondContact O-N 2.98Å
148	Y	62.7	Low	63.6	Low	148 Å²	148	102.2 Å²	102.2	58%	0.58	47%	0.47	S	S	*	.	H	α-helix	trans	-40.6	-43.8	-177.9	179.2	-108.5	0	0	0	115.9	A144 R152	A144-Y148 WeakPolarHBondContact O-CA 3.43Å; A144-Y148 WeakPolarHBondContact O-CB 3.45Å; A144-Y148 PolarHBondContact O-N 2.86Å; A144-Y148 VanDerWaalsContact O-N 3.13Å; Y148-R152 WeakPolarHBondContact O-CB 3.39Å; Y148-R152 PolarHBondContact O-N 3.22Å
149	R	62	Low	63.4	Low	221 Å²	221	97.3 Å²	97.3	83%	0.834	45%	0.45	S	S	*	.	H	α-helix	trans	-64.4	-42.9	-179.8	-77.8	-175.4	171.9	-177.2	-3.4	112.9	N147 Y153	N147-R149 VanDerWaalsContact C-N 3.26Å; N147-R149 PolarHBondContact O-N 3.43Å; R149-Y153 WeakPolarHBondContact O-CB 3.37Å; R149-Y153 PolarHBondContact O-N 3.08Å
150	E	61.5	Low	63.1	Low	109 Å²	109	99.1 Å²	99.1	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-77.5	-37.7	-179.2	-175.4	174.2	-139.9	0	0	111.1	N147 R152 Y153 N154	N147-E150 HydrophobicContact CB-CB 4.47Å; N147-E150 PolarHBondContact ND2-OE2 2.95Å; N147-E150 PolarHBondContact O-N 2.79Å; E150-R152 PolarHBondContact O-N 3.08Å; E150-Y153 PolarHBondContact O-N 2.88Å; E150-N154 WeakPolarHBondContact O-CB 3.36Å; E150-N154 VanDerWaalsContact O-CG 3.29Å; E150-N154 PolarHBondContact O-N 2.87Å; E150-N154 PolarHBondContact O-ND2 3.08Å
151	L	63.6	Low	62.6	Low	45 Å²	45	102.5 Å²	102.5	24%	0.236	48%	0.478	C	S	.	.	H	α-helix	trans	-55.2	-51.5	168.6	-156.9	92.8	0	0	0	110.3	L140 A144 N147 Y153 N154 F155	L140-L151 HydrophobicContact CD2-CD1 4.46Å; A144-L151 HydrophobicContact CB-CD2 4.02Å; N147-L151 PolarHBondContact O-N 2.98Å; L151-Y153 PolarHBondContact O-N 2.96Å; L151-N154 PolarHBondContact O-N 3.32Å; L151-F155 HydrophobicContact CD2-CD2 4.35Å; L151-F155 HydrophobicContact CD2-CE2 3.89Å; L151-F155 HydrophobicContact CG-CD2 4.1Å; L151-F155 HydrophobicContact CG-CE2 3.84Å; L151-F155 WeakPolarHBondContact O-CD2 3.44Å; L151-F155 PolarHBondContact O-N 3.29Å
152	R	66.5	Low	62.1	Low	148 Å²	148	99.8 Å²	99.8	56%	0.558	48%	0.483	S	S	*	.	H	α-helix	trans	-61.4	-41.3	177	-179.5	177.1	-179.8	-111.7	-0	112.6	Y148 E150 F155 I156	Y148-R152 WeakPolarHBondContact O-CB 3.39Å; Y148-R152 PolarHBondContact O-N 3.22Å; E150-R152 PolarHBondContact O-N 3.08Å; R152-F155 PolarHBondContact O-N 2.9Å; R152-I156 HydrophobicContact CG-CD1 3.89Å; R152-I156 VanDerWaalsContact O-CG1 3.29Å; R152-I156 WeakPolarHBondContact O-CG1 3.21Å; R152-I156 PolarHBondContact O-N 2.89Å
153	Y	68.1	Low	61.6	Low	140 Å²	140	101 Å²	101	55%	0.549	49%	0.491	S	S	.	.	H	α-helix	trans	-60.4	-48.5	175.3	178.9	-116.4	0	0	0	111.2	R149 E150 L151 F155 I156 I157	R149-Y153 WeakPolarHBondContact O-CB 3.37Å; R149-Y153 PolarHBondContact O-N 3.08Å; E150-Y153 PolarHBondContact O-N 2.88Å; L151-Y153 PolarHBondContact O-N 2.96Å; Y153-F155 VanDerWaalsContact C-N 3.35Å; Y153-F155 PolarHBondContact O-N 3.34Å; Y153-I156 PolarHBondContact O-N 3.49Å; Y153-I157 HydrophobicContact CD1-CD1 3.69Å; Y153-I157 HydrophobicContact CD2-CD1 4.07Å; Y153-I157 HydrophobicContact CE1-CD1 3.44Å; Y153-I157 VanDerWaalsContact CE1-CD1 3.44Å; Y153-I157 HydrophobicContact CE2-CD1 3.84Å; Y153-I157 HydrophobicContact CE2-CG1 4.49Å; Y153-I157 HydrophobicContact CG-CD1 4.01Å; Y153-I157 WeakPolarHBondContact O-CG1 3.34Å; Y153-I157 PolarHBondContact O-N 3.32Å
154	N	63.9	Low	61	Low	75 Å²	75	97.5 Å²	97.5	40%	0.401	49%	0.493	S	S	.	.	H	α-helix	trans	-65.1	-34.3	177.1	-69.8	-30.4	0	0	0	112.9	E150 L151 N158	E150-N154 WeakPolarHBondContact O-CB 3.36Å; E150-N154 VanDerWaalsContact O-CG 3.29Å; E150-N154 PolarHBondContact O-N 2.87Å; E150-N154 PolarHBondContact O-ND2 3.08Å; L151-N154 PolarHBondContact O-N 3.32Å; N154-N158 WeakPolarHBondContact O-CB 3.42Å; N154-N158 PolarHBondContact O-N 3.37Å; N154-N158 VanDerWaalsContact O-N 3.13Å; N154-N158 PolarHBondContact O-ND2 3.16Å
155	F	64.4	Low	60.1	Low	99 Å²	99	101.7 Å²	101.7	43%	0.434	51%	0.512	S	S	.	.	H	α-helix	trans	-64.4	-45.4	170.9	-86.6	-68.1	0	0	0	112.1	L151 R152 Y153 I157 N158 D159 L166	L151-F155 HydrophobicContact CD2-CD2 4.35Å; L151-F155 HydrophobicContact CD2-CE2 3.89Å; L151-F155 HydrophobicContact CG-CD2 4.1Å; L151-F155 HydrophobicContact CG-CE2 3.84Å; L151-F155 WeakPolarHBondContact O-CD2 3.44Å; L151-F155 PolarHBondContact O-N 3.29Å; R152-F155 PolarHBondContact O-N 2.9Å; Y153-F155 VanDerWaalsContact C-N 3.35Å; Y153-F155 PolarHBondContact O-N 3.34Å; F155-I157 VanDerWaalsContact C-N 3.32Å; F155-I157 PolarHBondContact O-N 3.06Å; F155-N158 PolarHBondContact O-N 3.45Å; F155-D159 PolarHBondContact O-N 3.44Å; F155-L166 HydrophobicContact CD1-CD2 3.88Å; F155-L166 HydrophobicContact CE1-CD1 4.04Å; F155-L166 HydrophobicContact CE1-CD2 3.91Å
156	I	64.4	Low	59.3	Low	91 Å²	91	102.2 Å²	102.2	47%	0.467	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-35	178.5	-68.8	165.4	0	0	0	111.9	R152 Y153 D159 P160	R152-I156 HydrophobicContact CG-CD1 3.89Å; R152-I156 VanDerWaalsContact O-CG1 3.29Å; R152-I156 WeakPolarHBondContact O-CG1 3.21Å; R152-I156 PolarHBondContact O-N 2.89Å; Y153-I156 PolarHBondContact O-N 3.49Å; I156-D159 CarbonylContact O-C 3.45Å; I156-P160 WeakPolarHBondContact O-CA 3.37Å
157	I	61.6	Low	58.9	Low	60 Å²	60	104.7 Å²	104.7	31%	0.308	52%	0.519	S	S	.	.	H	α-helix	trans	-70.7	-38.1	176.6	-69.1	163.1	0	0	0	112.2	Y153 F155	Y153-I157 HydrophobicContact CD1-CD1 3.69Å; Y153-I157 HydrophobicContact CD2-CD1 4.07Å; Y153-I157 HydrophobicContact CE1-CD1 3.44Å; Y153-I157 VanDerWaalsContact CE1-CD1 3.44Å; Y153-I157 HydrophobicContact CE2-CD1 3.84Å; Y153-I157 HydrophobicContact CE2-CG1 4.49Å; Y153-I157 HydrophobicContact CG-CD1 4.01Å; Y153-I157 WeakPolarHBondContact O-CG1 3.34Å; Y153-I157 PolarHBondContact O-N 3.32Å; F155-I157 VanDerWaalsContact C-N 3.32Å; F155-I157 PolarHBondContact O-N 3.06Å
158	N	55.7	Low	58.3	Low	54 Å²	54	113 Å²	113	29%	0.289	55%	0.545	S	S	.	.	H	α-helix	trans	-84.7	-17.9	-177.5	-74.4	-72.9	0	0	0	113.6	N154 F155 L166	N154-N158 WeakPolarHBondContact O-CB 3.42Å; N154-N158 PolarHBondContact O-N 3.37Å; N154-N158 VanDerWaalsContact O-N 3.13Å; N154-N158 PolarHBondContact O-ND2 3.16Å; F155-N158 PolarHBondContact O-N 3.45Å; N158-L166 HydrophobicContact CB-CD2 4.19Å
159	D	63.5	Low	57.1	Low	37 Å²	37	113.3 Å²	113.3	20%	0.198	55%	0.551	C	S	.	*			trans	-135.6	69.7	171.5	-173.8	20.8	0	0	0	111.9	F155 I156 M161 G162 I163 G164	F155-D159 PolarHBondContact O-N 3.44Å; I156-D159 CarbonylContact O-C 3.45Å; D159-M161 PolarHBondContact O-N 3.29Å; D159-M161 VanDerWaalsContact O-N 3.1Å; D159-G162 PolarHBondContact O-N 3.48Å; D159-G162 PolarHBondContact OD1-N 3.4Å; D159-G162 VanDerWaalsContact OD2-C 3.25Å; D159-G162 VanDerWaalsContact OD2-CA 3.29Å; D159-G162 WeakPolarHBondContact OD2-CA 3.45Å; D159-I163 VanDerWaalsContact CG-N 3.31Å; D159-I163 PolarHBondContact OD1-N 3.06Å; D159-I163 PolarHBondContact OD2-N 3.33Å; D159-G164 WeakPolarHBondContact OD2-CA 3.16Å; D159-G164 PolarHBondContact OD2-N 3.12Å
160	P	57.6	Low	55.8	Low	92 Å²	92	108.6 Å²	108.6	60%	0.597	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-5.4	-178.5	29.8	-35.9	0	0	0	113.5	I156	I156-P160 WeakPolarHBondContact O-CA 3.37Å
161	M	56	Low	54.6	Low	149 Å²	149	107.7 Å²	107.7	73%	0.734	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	-4.3	-177.5	-60	-78.9	88.8	0	0	113.2	D159 I163	D159-M161 PolarHBondContact O-N 3.29Å; D159-M161 VanDerWaalsContact O-N 3.1Å; M161-I163 HydrophobicContact CB-CD1 3.58Å; M161-I163 HydrophobicContact CB-CG1 3.72Å; M161-I163 HydrophobicContact CG-CD1 4.33Å
162	G	56.7	Low	53.3	Low	66 Å²	66	110.8 Å²	110.8	68%	0.68	57%	0.573	S	S	*	*			trans	69	28.5	179.5	0	0	0	0	0	115	D159	D159-G162 PolarHBondContact O-N 3.48Å; D159-G162 PolarHBondContact OD1-N 3.4Å; D159-G162 VanDerWaalsContact OD2-C 3.25Å; D159-G162 VanDerWaalsContact OD2-CA 3.29Å; D159-G162 WeakPolarHBondContact OD2-CA 3.45Å
163	I	56.6	Low	51.5	Low	116 Å²	116	110.4 Å²	110.4	60%	0.595	58%	0.58	S	S	*	*			trans	-88.2	-9.8	-174.2	-56.2	174.5	0	0	0	111.7	D159 M161 N165	D159-I163 VanDerWaalsContact CG-N 3.31Å; D159-I163 PolarHBondContact OD1-N 3.06Å; D159-I163 PolarHBondContact OD2-N 3.33Å; M161-I163 HydrophobicContact CB-CD1 3.58Å; M161-I163 HydrophobicContact CB-CG1 3.72Å; M161-I163 HydrophobicContact CG-CD1 4.33Å; I163-N165 VanDerWaalsContact C-N 3.33Å; I163-N165 PolarHBondContact O-N 3.14Å
164	G	47.8	Very low	49.9	Very low	60 Å²	60	113.3 Å²	113.3	62%	0.619	60%	0.595	S	S	*	*			trans	79.5	7.4	177.8	0	0	0	0	0	115.2	D159	D159-G164 WeakPolarHBondContact OD2-CA 3.16Å; D159-G164 PolarHBondContact OD2-N 3.12Å
165	N	48.3	Very low	48.4	Very low	116 Å²	116	118.2 Å²	118.2	62%	0.62	62%	0.616	S	S	*	*			trans	-104.2	90.6	-172.6	-81.1	-50.3	0	0	0	112.7	I163 R167	I163-N165 VanDerWaalsContact C-N 3.33Å; I163-N165 PolarHBondContact O-N 3.14Å; N165-R167 PolarHBondContact O-N 2.94Å
166	L	48.3	Very low	46.7	Very low	109 Å²	109	119.5 Å²	119.5	57%	0.571	63%	0.632	S	S	*	*			trans	-66.2	119.7	175.2	-63.7	169.6	0	0	0	111.8	F155 N158	F155-L166 HydrophobicContact CD1-CD2 3.88Å; F155-L166 HydrophobicContact CE1-CD1 4.04Å; F155-L166 HydrophobicContact CE1-CD2 3.91Å; N158-L166 HydrophobicContact CB-CD2 4.19Å
167	R	50.4	Low	45.1	Very low	182 Å²	182	122.8 Å²	122.8	69%	0.687	65%	0.649	S	S	*	*			trans	-80.7	142.7	175.2	-65.3	-176.9	177.1	-171	-0.4	111.3	N165 Q169	N165-R167 PolarHBondContact O-N 2.94Å; R167-Q169 PolarHBondContact O-N 3.31Å
168	R	44.7	Very low	43.5	Very low	257 Å²	257	125.1 Å²	125.1	97%	0.97	67%	0.666	S	S	*	*	S	Bend	trans	-75.4	-0.8	176	-79.8	-169.7	174	-157.7	-1.3	114.8
169	Q	37.6	Very low	42.2	Very low	154 Å²	154	131.5 Å²	131.5	72%	0.72	69%	0.694	S	S	*	*	S	Bend	trans	-131.1	134.7	-175.8	-70.4	-179.6	-14.7	0	0	110.6	R167	R167-Q169 PolarHBondContact O-N 3.31Å
170	P	35.2	Very low	40.5	Very low	121 Å²	121	137.1 Å²	137.1	79%	0.786	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-71	129.8	175.4	29.7	-33.6	0	0	0	110.6
171	V	36.9	Very low	39	Very low	91 Å²	91	140.2 Å²	140.2	55%	0.552	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-92.9	123.1	179.3	-177.5	0	0	0	0	110	M173	V171-M173 PolarHBondContact O-N 3.05Å
172	P	34.8	Very low	37.6	Very low	109 Å²	109	139.7 Å²	139.7	71%	0.708	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-71.6	119.5	178	-18.8	32.5	0	0	0	112.6	K174	P172-K174 VanDerWaalsContact C-N 3.3Å; P172-K174 PolarHBondContact O-N 2.98Å
173	M	28.7	Very low	36.2	Very low	141 Å²	141	143.3 Å²	143.3	70%	0.695	73%	0.733	S	S	*	*	S	Bend	trans	-72.1	78.3	172.6	-76.5	-163.6	-70.7	0	0	112.1	V171	V171-M173 PolarHBondContact O-N 3.05Å
174	K	34.2	Very low	34.8	Very low	200 Å²	200	143.9 Å²	143.9	87%	0.87	74%	0.737	S	S	*	*	S	Bend	trans	-139.2	3.5	169.7	-81.6	-160.2	173.2	-173.9	0	116	P172	P172-K174 VanDerWaalsContact C-N 3.3Å; P172-K174 PolarHBondContact O-N 2.98Å
175	Q	33.6	Very low	33.9	Very low	179 Å²	179	147 Å²	147	84%	0.836	74%	0.739	S	S	*	*	S	Bend	trans	-136.4	21.9	-174.5	-69.7	-176.1	-35.1	0	0	114.6
176	T	29.3	Very low	33	Very low	126 Å²	126	147.8 Å²	147.8	77%	0.773	74%	0.744	S	S	*	*			trans	-140.4	30.4	-177	-32.6	0	0	0	0	112.7
177	I	29.3	Very low	32	Very low	160 Å²	160	147.5 Å²	147.5	82%	0.821	75%	0.747	S	S	*	*	S	Bend	trans	-121.4	57	169.7	-47.9	-179.2	0	0	0	107.8
178	T	28	Very low	30.9	Very low	108 Å²	108	146.1 Å²	146.1	66%	0.663	75%	0.752	S	S	*	*	S	Bend	trans	-160.9	139.2	178	43.5	0	0	0	0	107.2
179	Q	27.9	Very low	30.1	Very low	188 Å²	188	138.9 Å²	138.9	88%	0.879	74%	0.736	S	S	*	*	S	Bend	trans	77.1	148.2	-168.1	-50.8	174	-3.4	0	0	113.6
180	I	28.7	Very low	29.8	Very low	156 Å²	156	137.6 Å²	137.6	80%	0.8	74%	0.741	S	S	*	*	S	Bend	trans	57.9	61.8	-163.3	-43.6	179.5	0	0	0	111
181	E	26.3	Very low	29.3	Very low	156 Å²	156	137.2 Å²	137.2	73%	0.729	74%	0.737	S	S	*	*				78.3	106	83.2	-68.1	173.1	154.5	0	0	113.3
182	N	26.6	Very low	28.7	Very low	139 Å²	139	139.5 Å²	139.5	74%	0.743	75%	0.746	S	S	*	*				41.3	98.8	110.2	-52.8	-17.7	0	0	0	115.9
183	N	27.3	Very low	28.3	Very low	141 Å²	141	143 Å²	143	75%	0.754	75%	0.753	S	S	*	*				-165.2	134.5	100.6	-90.4	-30.2	0	0	0	112.5
184	N	28.1	Very low	28.2	Very low	129 Å²	129	140.5 Å²	140.5	69%	0.69	75%	0.754	S	S	*	*			trans	66.8	116.6	139.6	-62	12	0	0	0	120.3
185	D	28.2	Very low	27.8	Very low	124 Å²	124	136.9 Å²	136.9	66%	0.663	74%	0.744	S	S	*	*				103.2	96.6	125.2	-70.7	15.9	0	0	0	119.9
186	N	28.8	Very low	27.5	Very low	133 Å²	133	135.9 Å²	135.9	71%	0.711	74%	0.737	S	S	*	*				85.9	135.9	122.5	-68.7	-37.8	0	0	0	118.9
187	T	28.1	Very low	27.5	Very low	103 Å²	103	134.2 Å²	134.2	63%	0.632	73%	0.731	S	S	*	*			cis	-164.9	139.5	-13.1	-131.8	0	0	0	0	112
188	L	26.2	Very low	27.4	Very low	154 Å²	154	134.1 Å²	134.1	81%	0.806	73%	0.729	S	S	*	*			trans	58	152.3	161.8	-51.8	171.3	0	0	0	118.6
189	V	28.1	Very low	27.3	Very low	105 Å²	105	133.9 Å²	133.9	64%	0.636	72%	0.723	S	S	*	*			cis	-154.6	141.5	-17.7	126.6	0	0	0	0	108.4	V191	V189-V191 HydrophobicContact CG1-CB 4.34Å; V189-V191 HydrophobicContact CG1-CG2 4.13Å
190	P	31.7	Very low	27.4	Very low	127 Å²	127	132 Å²	132	83%	0.825	71%	0.714	S	S	*	*			trans	-116.9	100.2	166	34.7	-21.8	0	0	0	111.5
191	V	24.4	Very low	27.2	Very low	113 Å²	113	132.3 Å²	132.3	69%	0.685	71%	0.712	S	S	*	*			trans	-137.2	133.4	177.7	177.1	0	0	0	0	113	V189	V189-V191 HydrophobicContact CG1-CB 4.34Å; V189-V191 HydrophobicContact CG1-CG2 4.13Å
192	N	25.2	Very low	27.2	Very low	139 Å²	139	129.8 Å²	129.8	74%	0.743	71%	0.707	S	S	*	*			trans	-38.8	143.8	168.4	-40	-52.3	0	0	0	116.1
193	Q	25.8	Very low	27.1	Very low	182 Å²	182	129.8 Å²	129.8	85%	0.85	71%	0.707	S	S	*	*				-178.9	117.3	111	-92.8	154.5	8.9	0	0	107.2
194	A	26.2	Very low	26.9	Very low	88 Å²	88	129 Å²	129	73%	0.727	70%	0.703	S	S	*	*				62.8	104.3	73.6	0	0	0	0	0	112.7
195	D	25.9	Very low	26.7	Very low	124 Å²	124	125.1 Å²	125.1	66%	0.663	69%	0.689	S	S	*	*				-165.3	154.2	125.1	-122.4	-33.8	0	0	0	115.2
196	K	28.6	Very low	26.4	Very low	158 Å²	158	125.5 Å²	125.5	69%	0.687	69%	0.691	S	S	*	*			trans	47.6	109.6	152.2	-72.3	140.8	-164	155.8	0	119.3
197	S	28.7	Very low	26.4	Very low	92 Å²	92	127.6 Å²	127.6	64%	0.643	69%	0.694	S	S	*	*				65.9	137.9	73.1	76.3	0	0	0	0	113
198	M	26.5	Very low	26.2	Very low	158 Å²	158	130.5 Å²	130.5	78%	0.778	70%	0.7	S	S	*	*			cis	-159.8	166.8	48.9	-74.3	168.4	63.7	0	0	109.8
199	N	27	Very low	26	Very low	102 Å²	102	128.6 Å²	128.6	55%	0.545	69%	0.691	S	S	.	*			cis	-168.1	176.9	-16.7	-101.1	2	0	0	0	108.6
200	H	28.2	Very low	25.8	Very low	149 Å²	149	134.1 Å²	134.1	69%	0.69	70%	0.7	S	S	*	*			trans	77.3	114.5	162.5	-58.4	-58.6	0	0	0	116
201	H	25	Very low	25.5	Very low	163 Å²	163	132.5 Å²	132.5	76%	0.755	69%	0.692	S	S	*	*				73.3	139.4	64.4	-84.4	-99.3	0	0	0	112.8
202	V	25.8	Very low	25.4	Very low	103 Å²	103	135.5 Å²	135.5	62%	0.624	70%	0.696	S	S	*	*			cis	-178	150.5	-25.8	114.2	0	0	0	0	106.2
203	N	24.8	Very low	25.3	Very low	139 Å²	139	135 Å²	135	74%	0.743	69%	0.693	S	S	*	*			trans	125	144.6	161	-72.4	-53.1	0	0	0	112.5
204	N	23.5	Very low	25.3	Very low	124 Å²	124	132.1 Å²	132.1	66%	0.663	69%	0.688	S	S	*	*			cis	152.8	142.2	-14.7	171.9	25.6	0	0	0	105.3
205	A	23.8	Very low	25.2	Very low	48 Å²	48	137.2 Å²	137.2	40%	0.397	70%	0.696	S	S	.	*			trans	71.8	114.4	162.8	0	0	0	0	0	119.8
206	N	22.7	Very low	25.3	Very low	131 Å²	131	139.1 Å²	139.1	70%	0.701	71%	0.706	S	S	*	*				64.8	109.1	124.4	-70.2	-48.6	0	0	0	121.2
207	K	29	Very low	25.4	Very low	178 Å²	178	136.5 Å²	136.5	77%	0.774	71%	0.705	S	S	*	*				68.1	148.6	103.9	-157.1	176.1	-172	172.9	0	118.4
208	Q	23.6	Very low	25.3	Very low	163 Å²	163	141 Å²	141	76%	0.762	72%	0.716	S	S	*	*			trans	77.3	150.4	178.9	-51.6	-171.7	27.2	0	0	113
209	N	21.8	Very low	25.2	Very low	114 Å²	114	141 Å²	141	61%	0.61	72%	0.719	S	S	*	*			cis	-159.2	-174	-4.1	-118.1	-11.3	0	0	0	111.4
210	W	22.9	Very low	25.3	Very low	222 Å²	222	142.8 Å²	142.8	84%	0.841	73%	0.733	S	S	*	*			trans	-21.6	152.7	155.3	-46.4	94.1	0	0	0	116.9
211	S	25.7	Very low	25.2	Very low	93 Å²	93	140.9 Å²	140.9	65%	0.65	74%	0.737	S	S	*	*			cis	176.4	174.7	-6.3	51.4	0	0	0	0	111.2
212	F	22.2	Very low	25.4	Very low	175 Å²	175	144.3 Å²	144.3	77%	0.768	74%	0.743	S	S	*	*			trans	81	155.1	159	134.8	-75.7	0	0	0	118.3
213	L	24.3	Very low	25.6	Very low	130 Å²	130	149.2 Å²	149.2	68%	0.681	76%	0.756	S	S	*	*			trans	67.2	109.3	-166.4	-53.8	175	0	0	0	113.9
214	T	25.2	Very low	26.4	Very low	121 Å²	121	145.8 Å²	145.8	74%	0.742	74%	0.743	S	S	*	*			cis	84.7	94.9	24.8	-43.9	0	0	0	0	115.5
215	E	25.2	Very low	27.8	Very low	194 Å²	194	147 Å²	147	91%	0.907	75%	0.75	S	S	*	*				-174.2	172	127.3	-103.7	172.5	-164.4	0	0	113.4
216	L	25.9	Very low	30	Very low	165 Å²	165	150.6 Å²	150.6	86%	0.864	76%	0.756	S	S	*	*			trans	-121.4	-177.4	-172.9	-83.9	157.4	0	0	0	109.4
217	P	32.8	Very low	32.6	Very low	103 Å²	103	146.4 Å²	146.4	67%	0.669	73%	0.734	S	S	*	*			cis	-128.5	-175.6	-39.7	38.2	-23	0	0	0	112.1
218	Q	26.4	Very low	35.2	Very low	185 Å²	185	141.5 Å²	141.5	86%	0.864	72%	0.716	S	S	*	*				179.3	167	129.9	-100.5	173.5	36.5	0	0	114.5
219	D	24.1	Very low	37.8	Very low	158 Å²	158	134.4 Å²	134.4	85%	0.845	68%	0.684	S	S	*	*			trans	-75	141.8	-166.9	-63.6	-94.9	0	0	0	117
220	V	29	Very low	40.6	Very low	141 Å²	141	134.2 Å²	134.2	86%	0.855	68%	0.68	S	S	*	*			trans	-136.7	123.8	151.6	-176.4	0	0	0	0	109.9
221	S	26.6	Very low	43.4	Very low	108 Å²	108	127 Å²	127	76%	0.755	66%	0.656	S	S	*	*			trans	-79.5	129.2	-171.5	63.5	0	0	0	0	114.2
222	R	29.1	Very low	46.1	Very low	235 Å²	235	122.6 Å²	122.6	89%	0.887	63%	0.625	S	S	*	*			trans	-131.2	126.1	155.9	-69.7	-173	178.3	-179.7	0.6	109.2	S224	R222-S224 PolarHBondContact O-N 3.38Å; R222-S224 VanDerWaalsContact O-N 3.1Å
223	K	29.5	Very low	48.8	Very low	206 Å²	206	115.1 Å²	115.1	90%	0.896	59%	0.592	S	S	*	*			trans	-81	86.3	-172.5	-67.6	176.7	179.7	174.4	0	111.6
224	S	40.5	Very low	51.3	Low	67 Å²	67	111.7 Å²	111.7	47%	0.469	58%	0.579	S	S	.	*			trans	-84	131.8	162.4	47.3	0	0	0	0	110.2	R222 F226	R222-S224 PolarHBondContact O-N 3.38Å; R222-S224 VanDerWaalsContact O-N 3.1Å; S224-F226 PolarHBondContact O-N 3.21Å
225	N	54.3	Low	53.9	Low	151 Å²	151	108.4 Å²	108.4	81%	0.807	56%	0.557	S	S	*	*			trans	-81.8	99.5	179.1	-71.1	-26.7	0	0	0	109.9
226	F	68.8	Low	56.5	Low	123 Å²	123	99.2 Å²	99.2	54%	0.539	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-63.8	136	174.2	-65.9	-75.6	0	0	0	111.9	S224 L279	S224-F226 PolarHBondContact O-N 3.21Å; F226-L279 VanDerWaalsContact CD1-C 3.46Å
227	L	78.4	Confident	59	Low	43 Å²	43	96.2 Å²	96.2	23%	0.225	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-86.2	144.4	175.9	-67.1	166.8	0	0	0	111.4	Q231 V232 I235 L277 Y278	L227-Q231 HydrophobicContact CD2-CB 4.43Å; L227-V232 HydrophobicContact CB-CG2 3.7Å; L227-V232 HydrophobicContact CD1-CG2 4.02Å; L227-I235 HydrophobicContact CD1-CD1 4.25Å; L227-L277 HydrophobicContact CD1-CD2 3.96Å; L227-Y278 PolarHBondContact N-O 2.98Å
228	L	82	Confident	60.9	Low	75 Å²	75	96.5 Å²	96.5	39%	0.393	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-75.7	149.6	173.9	-69.2	142.7	0	0	0	110.8	H230 Q231 V232 E283	L228-H230 PolarHBondContact O-N 2.92Å; L228-Q231 HydrophobicContact CB-CG 4.16Å; L228-Q231 WeakPolarHBondContact O-CA 3.26Å; L228-Q231 WeakPolarHBondContact O-CB 3.36Å; L228-Q231 PolarHBondContact O-N 3.16Å; L228-V232 PolarHBondContact O-N 3.43Å; L228-E283 WeakPolarHBondContact CA-OE2 3.46Å
229	A	79.4	Confident	63.1	Low	13 Å²	13	91.6 Å²	91.6	11%	0.107	46%	0.457	C	S	.	.	H	α-helix	trans	-50.6	-38.9	-177.4	0	0	0	0	0	114	M233 E283 K286 F287	A229-M233 WeakPolarHBondContact O-CB 3.25Å; A229-M233 PolarHBondContact O-N 3.49Å; A229-M233 VanDerWaalsContact O-N 3.08Å; A229-E283 WeakPolarHBondContact CB-O 3.46Å; A229-E283 WeakPolarHBondContact CB-OE2 3.45Å; A229-E283 PolarHBondContact N-OE2 3.08Å; A229-K286 HydrophobicContact CB-CB 3.89Å; A229-F287 HydrophobicContact CB-CB 3.91Å
230	H	81.4	Confident	65.5	Low	111 Å²	111	84.9 Å²	84.9	51%	0.514	42%	0.421	S	S	.	.	H	α-helix	trans	-75.3	-28.2	179.5	75.1	-91.7	0	0	0	113.2	L228 S234	L228-H230 PolarHBondContact O-N 2.92Å; H230-S234 WeakPolarHBondContact O-CB 3.47Å; H230-S234 PolarHBondContact O-N 3.2Å
231	Q	80.8	Confident	67.6	Low	71 Å²	71	83.3 Å²	83.3	33%	0.332	41%	0.407	S	S	.	.	H	α-helix	trans	-69.1	-47.5	175.5	-64.9	173.3	-40.4	0	0	109.4	L227 L228 M233 S234 I235	L227-Q231 HydrophobicContact CD2-CB 4.43Å; L228-Q231 HydrophobicContact CB-CG 4.16Å; L228-Q231 WeakPolarHBondContact O-CA 3.26Å; L228-Q231 WeakPolarHBondContact O-CB 3.36Å; L228-Q231 PolarHBondContact O-N 3.16Å; Q231-M233 PolarHBondContact O-N 2.93Å; Q231-S234 WeakPolarHBondContact O-CB 3.47Å; Q231-S234 PolarHBondContact O-N 2.97Å; Q231-S234 VanDerWaalsContact O-N 3.16Å; Q231-I235 WeakPolarHBondContact O-CD1 3.44Å; Q231-I235 VanDerWaalsContact O-CG1 3.24Å; Q231-I235 WeakPolarHBondContact O-CG1 3.23Å; Q231-I235 PolarHBondContact O-N 3.5Å
232	V	82.4	Confident	69.2	Low	0 Å²	0	85.5 Å²	85.5	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-60.9	-44	175.7	173.3	0	0	0	0	111.6	L227 L228 S234 I235 L236 L272 L277 L279 F287	L227-V232 HydrophobicContact CB-CG2 3.7Å; L227-V232 HydrophobicContact CD1-CG2 4.02Å; L228-V232 PolarHBondContact O-N 3.43Å; V232-S234 VanDerWaalsContact C-N 3.33Å; V232-S234 PolarHBondContact O-N 3.09Å; V232-I235 PolarHBondContact O-N 3.46Å; V232-L236 HydrophobicContact CG1-CD1 3.89Å; V232-L236 HydrophobicContact CG1-CG 4.33Å; V232-L236 WeakPolarHBondContact O-CB 3.37Å; V232-L236 WeakPolarHBondContact O-CG 3.36Å; V232-L236 PolarHBondContact O-N 3.19Å; V232-L272 HydrophobicContact CG1-CD1 4.28Å; V232-L272 HydrophobicContact CG1-CD2 4.1Å; V232-L277 HydrophobicContact CG1-CB 4.42Å; V232-L277 HydrophobicContact CG1-CD1 4.28Å; V232-L277 HydrophobicContact CG2-CB 4.29Å; V232-L279 HydrophobicContact CB-CD2 4.09Å; V232-L279 HydrophobicContact CG1-CD1 4.27Å; V232-L279 HydrophobicContact CG1-CD2 4.45Å; V232-L279 HydrophobicContact CG2-CD1 4.04Å; V232-L279 HydrophobicContact CG2-CD2 3.73Å; V232-L279 HydrophobicContact CG2-CG 3.81Å; V232-F287 HydrophobicContact CB-CD2 4.48Å; V232-F287 HydrophobicContact CG1-CD2 4.17Å; V232-F287 HydrophobicContact CG1-CE2 3.96Å
233	M	79.2	Confident	70.7	Confident	17 Å²	17	76.8 Å²	76.8	8%	0.084	39%	0.386	C	S	.	.	H	α-helix	trans	-57.3	-44.2	173.4	-170.6	65.7	73.9	0	0	112.2	A229 Q231 R237 F287 R290 L291 M308	A229-M233 WeakPolarHBondContact O-CB 3.25Å; A229-M233 PolarHBondContact O-N 3.49Å; A229-M233 VanDerWaalsContact O-N 3.08Å; Q231-M233 PolarHBondContact O-N 2.93Å; M233-R237 VanDerWaalsContact O-CB 3.28Å; M233-R237 WeakPolarHBondContact O-CB 3.19Å; M233-R237 PolarHBondContact O-N 3Å; M233-F287 HydrophobicContact CB-CD2 4.42Å; M233-F287 HydrophobicContact CB-CE2 4.3Å; M233-F287 HydrophobicContact CE-CD2 3.85Å; M233-F287 HydrophobicContact CE-CE2 3.63Å; M233-F287 HydrophobicContact CE-CZ 4.3Å; M233-F287 HydrophobicContact SD-CE2 4.1Å; M233-R290 HydrophobicContact CE-CB 4.26Å; M233-R290 HydrophobicContact CE-CG 4.16Å; M233-L291 HydrophobicContact CE-CD2 3.84Å; M233-L291 HydrophobicContact CE-CG 4.04Å; M233-L291 HydrophobicContact SD-CD2 4.41Å; M233-M308 HydrophobicContact SD-SD 3.61Å; M233-M308 VanDerWaalsContact SD-SD 3.61Å
234	S	76.8	Confident	72.1	Confident	58 Å²	58	71.2 Å²	71.2	41%	0.406	37%	0.37	S	S	.	.	H	α-helix	trans	-65.7	-44.6	177.2	-169.1	0	0	0	0	112.2	H230 Q231 V232 R237 Q238	H230-S234 WeakPolarHBondContact O-CB 3.47Å; H230-S234 PolarHBondContact O-N 3.2Å; Q231-S234 WeakPolarHBondContact O-CB 3.47Å; Q231-S234 PolarHBondContact O-N 2.97Å; Q231-S234 VanDerWaalsContact O-N 3.16Å; V232-S234 VanDerWaalsContact C-N 3.33Å; V232-S234 PolarHBondContact O-N 3.09Å; S234-R237 PolarHBondContact O-N 3.05Å; S234-Q238 WeakPolarHBondContact O-CB 3.3Å; S234-Q238 WeakPolarHBondContact O-CG 3.49Å; S234-Q238 PolarHBondContact O-N 3.27Å
235	I	79.5	Confident	73.1	Confident	53 Å²	53	68.4 Å²	68.4	27%	0.272	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-47.2	179.8	-66.8	159.9	0	0	0	110.7	L227 Q231 V232 R237 Q238 R239 L277	L227-I235 HydrophobicContact CD1-CD1 4.25Å; Q231-I235 WeakPolarHBondContact O-CD1 3.44Å; Q231-I235 VanDerWaalsContact O-CG1 3.24Å; Q231-I235 WeakPolarHBondContact O-CG1 3.23Å; Q231-I235 PolarHBondContact O-N 3.5Å; V232-I235 PolarHBondContact O-N 3.46Å; I235-R237 PolarHBondContact O-N 3.2Å; I235-Q238 PolarHBondContact O-N 3.1Å; I235-R239 HydrophobicContact CG2-CG 4.22Å; I235-R239 WeakPolarHBondContact O-CB 3.26Å; I235-R239 VanDerWaalsContact O-CG 3.25Å; I235-R239 WeakPolarHBondContact O-CG 3.34Å; I235-R239 PolarHBondContact O-N 3.06Å; I235-L277 HydrophobicContact CB-CD2 4.41Å; I235-L277 HydrophobicContact CD1-CD2 4.09Å; I235-L277 HydrophobicContact CG2-CD2 3.84Å
236	L	79.4	Confident	73.3	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.3	-47.3	175.7	-70.1	168.2	0	0	0	110.9	V232 Q238 R239 L240 L245 L250 L272 L277 F287 M308	V232-L236 HydrophobicContact CG1-CD1 3.89Å; V232-L236 HydrophobicContact CG1-CG 4.33Å; V232-L236 WeakPolarHBondContact O-CB 3.37Å; V232-L236 WeakPolarHBondContact O-CG 3.36Å; V232-L236 PolarHBondContact O-N 3.19Å; L236-Q238 PolarHBondContact O-N 3.33Å; L236-R239 PolarHBondContact O-N 3.31Å; L236-L240 WeakPolarHBondContact O-CB 3.45Å; L236-L240 WeakPolarHBondContact O-CD1 3.05Å; L236-L240 WeakPolarHBondContact O-CG 3.17Å; L236-L240 PolarHBondContact O-N 3.21Å; L236-L245 HydrophobicContact CD2-CD2 4.06Å; L236-L250 HydrophobicContact CD2-CD1 4.18Å; L236-L272 HydrophobicContact CD1-CD2 3.8Å; L236-L272 HydrophobicContact CD2-CD2 4.06Å; L236-L272 HydrophobicContact CG-CD2 4.37Å; L236-L277 HydrophobicContact CD2-CD1 3.85Å; L236-L277 HydrophobicContact CG-CD1 4.14Å; L236-F287 HydrophobicContact CD1-CE2 3.83Å; L236-F287 HydrophobicContact CD1-CZ 3.69Å; L236-M308 HydrophobicContact CB-CE 3.49Å; L236-M308 VanDerWaalsContact CB-CE 3.49Å
237	R	77.8	Confident	73	Confident	103 Å²	103	64.2 Å²	64.2	39%	0.389	33%	0.328	S	S	.	.	H	α-helix	trans	-63.5	-42.6	-179.3	-172.7	175.5	-179	-161.1	-2.1	111.9	M233 S234 I235 L241 M308	M233-R237 VanDerWaalsContact O-CB 3.28Å; M233-R237 WeakPolarHBondContact O-CB 3.19Å; M233-R237 PolarHBondContact O-N 3Å; S234-R237 PolarHBondContact O-N 3.05Å; I235-R237 PolarHBondContact O-N 3.2Å; R237-L241 HydrophobicContact CG-CD1 3.83Å; R237-L241 HydrophobicContact CG-CG 4.45Å; R237-L241 VanDerWaalsContact O-CB 3.27Å; R237-L241 WeakPolarHBondContact O-CB 3.46Å; R237-L241 VanDerWaalsContact O-CG 3.24Å; R237-L241 WeakPolarHBondContact O-CG 3.19Å; R237-L241 PolarHBondContact O-N 2.91Å; R237-M308 HydrophobicContact CB-CE 3.86Å; R237-M308 VanDerWaalsContact N-CE 3.31Å
238	Q	73.3	Confident	72	Confident	108 Å²	108	67.4 Å²	67.4	51%	0.505	35%	0.346	S	S	.	.	H	α-helix	trans	-65.3	-41.6	173.8	-73.7	-171.9	12.6	0	0	112.2	S234 I235 L236 K242	S234-Q238 WeakPolarHBondContact O-CB 3.3Å; S234-Q238 WeakPolarHBondContact O-CG 3.49Å; S234-Q238 PolarHBondContact O-N 3.27Å; I235-Q238 PolarHBondContact O-N 3.1Å; L236-Q238 PolarHBondContact O-N 3.33Å; Q238-K242 VanDerWaalsContact O-CB 3.29Å; Q238-K242 WeakPolarHBondContact O-CB 3.48Å; Q238-K242 VanDerWaalsContact O-CG 3.3Å; Q238-K242 WeakPolarHBondContact O-CG 3.28Å; Q238-K242 PolarHBondContact O-N 2.91Å
239	R	73.8	Confident	71	Confident	82 Å²	82	67.4 Å²	67.4	31%	0.309	35%	0.346	S	S	.	.	H	α-helix	trans	-69.1	-38.4	-176.9	-73	178.3	77.9	170.3	4.2	112.4	I235 L236 G243 T244 L245	I235-R239 HydrophobicContact CG2-CG 4.22Å; I235-R239 WeakPolarHBondContact O-CB 3.26Å; I235-R239 VanDerWaalsContact O-CG 3.25Å; I235-R239 WeakPolarHBondContact O-CG 3.34Å; I235-R239 PolarHBondContact O-N 3.06Å; L236-R239 PolarHBondContact O-N 3.31Å; R239-G243 PolarHBondContact O-N 2.97Å; R239-T244 WeakPolarHBondContact CA-OG1 3.35Å; R239-T244 PolarHBondContact O-N 3.19Å; R239-T244 PolarHBondContact O-OG1 2.85Å; R239-L245 HydrophobicContact CB-CB 3.75Å; R239-L245 HydrophobicContact CB-CD2 4.47Å; R239-L245 PolarHBondContact O-N 3.39Å; R239-L245 VanDerWaalsContact O-N 3.12Å
240	L	73.7	Confident	70	Confident	18 Å²	18	66.8 Å²	66.8	9%	0.094	34%	0.341	C	S	.	.	H	α-helix	trans	-68.4	-50.6	173.8	-70.9	158	0	0	0	111.4	L236 K242 G243 L245 L247 F304 M308 L310	L236-L240 WeakPolarHBondContact O-CB 3.45Å; L236-L240 WeakPolarHBondContact O-CD1 3.05Å; L236-L240 WeakPolarHBondContact O-CG 3.17Å; L236-L240 PolarHBondContact O-N 3.21Å; L240-K242 PolarHBondContact O-N 2.73Å; L240-G243 PolarHBondContact O-N 3.2Å; L240-L245 WeakPolarHBondContact CD2-O 3.48Å; L240-L245 HydrophobicContact CG-CD2 4.41Å; L240-L247 HydrophobicContact CD2-CD2 3.69Å; L240-L247 HydrophobicContact CD2-CG 4.24Å; L240-F304 HydrophobicContact CD1-CE1 4.19Å; L240-F304 HydrophobicContact CD1-CZ 4.08Å; L240-M308 HydrophobicContact CD1-CE 3.72Å; L240-L310 HydrophobicContact CB-CD1 4Å; L240-L310 HydrophobicContact CB-CD2 4.39Å; L240-L310 HydrophobicContact CD1-CD1 3.93Å; L240-L310 HydrophobicContact CD2-CD1 4.35Å; L240-L310 HydrophobicContact CG-CD1 4.31Å
241	L	71.9	Confident	69	Low	107 Å²	107	62.8 Å²	62.8	56%	0.56	32%	0.322	S	S	*	.	H	α-helix	trans	-62.7	-24.1	178.4	-73.9	171.3	0	0	0	114	R237 L310	R237-L241 HydrophobicContact CG-CD1 3.83Å; R237-L241 HydrophobicContact CG-CG 4.45Å; R237-L241 VanDerWaalsContact O-CB 3.27Å; R237-L241 WeakPolarHBondContact O-CB 3.46Å; R237-L241 VanDerWaalsContact O-CG 3.24Å; R237-L241 WeakPolarHBondContact O-CG 3.19Å; R237-L241 PolarHBondContact O-N 2.91Å; L241-L310 HydrophobicContact CD2-CD2 4.11Å
242	K	61.4	Low	68	Low	154 Å²	154	61.7 Å²	61.7	67%	0.67	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	1.9	175.1	-69.4	-178.1	173.7	-173.8	0	113.8	Q238 L240 T244	Q238-K242 VanDerWaalsContact O-CB 3.29Å; Q238-K242 WeakPolarHBondContact O-CB 3.48Å; Q238-K242 VanDerWaalsContact O-CG 3.3Å; Q238-K242 WeakPolarHBondContact O-CG 3.28Å; Q238-K242 PolarHBondContact O-N 2.91Å; L240-K242 PolarHBondContact O-N 2.73Å; K242-T244 HydrophobicContact CB-CG2 4.04Å; K242-T244 PolarHBondContact O-N 3.24Å
243	G	61.4	Low	66.5	Low	53 Å²	53	68.5 Å²	68.5	55%	0.546	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	-7.9	-174.6	0	0	0	0	0	115.8	R239 L240 L245	R239-G243 PolarHBondContact O-N 2.97Å; L240-G243 PolarHBondContact O-N 3.2Å; G243-L245 PolarHBondContact O-N 2.84Å
244	T	58.4	Low	65.3	Low	88 Å²	88	72.8 Å²	72.8	54%	0.54	38%	0.377	S	S	.	.	S	Bend	trans	-66.9	-1.9	179.2	60.4	0	0	0	0	115.2	R239 K242	R239-T244 WeakPolarHBondContact CA-OG1 3.35Å; R239-T244 PolarHBondContact O-N 3.19Å; R239-T244 PolarHBondContact O-OG1 2.85Å; K242-T244 HydrophobicContact CB-CG2 4.04Å; K242-T244 PolarHBondContact O-N 3.24Å
245	L	60.1	Low	64.4	Low	9 Å²	9	70.2 Å²	70.2	5%	0.047	36%	0.359	C	S	.	.	S	Bend	trans	-142.1	112.4	165.2	178.6	69.9	0	0	0	106.3	L236 R239 L240 G243 N249 L275	L236-L245 HydrophobicContact CD2-CD2 4.06Å; R239-L245 HydrophobicContact CB-CB 3.75Å; R239-L245 HydrophobicContact CB-CD2 4.47Å; R239-L245 PolarHBondContact O-N 3.39Å; R239-L245 VanDerWaalsContact O-N 3.12Å; L240-L245 WeakPolarHBondContact CD2-O 3.48Å; L240-L245 HydrophobicContact CG-CD2 4.41Å; G243-L245 PolarHBondContact O-N 2.84Å; L245-N249 HydrophobicContact CD1-CB 3.73Å; L245-L275 HydrophobicContact CD1-CD1 4.37Å; L245-L275 HydrophobicContact CD1-CD2 3.89Å; L245-L275 HydrophobicContact CD2-CD1 4.41Å
246	Q	59.8	Low	63.3	Low	117 Å²	117	69.5 Å²	69.5	55%	0.547	35%	0.353	S	S	.	.			trans	-71.1	153.1	169.8	-69.4	167	-47.7	0	0	110.1	D248 N249	Q246-D248 PolarHBondContact O-N 3.27Å; Q246-N249 WeakPolarHBondContact O-CB 3.47Å; Q246-N249 PolarHBondContact O-N 2.87Å; Q246-N249 VanDerWaalsContact O-N 3.13Å; Q246-N249 PolarHBondContact OE1-ND2 3.28Å
247	L	61.1	Low	62.4	Low	68 Å²	68	71.8 Å²	71.8	36%	0.356	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-59.3	-36.9	178.4	-69.8	165	0	0	0	111.3	L240 N249 L250 F251 L305 L310	L240-L247 HydrophobicContact CD2-CD2 3.69Å; L240-L247 HydrophobicContact CD2-CG 4.24Å; L247-N249 PolarHBondContact O-N 3.34Å; L247-L250 CarbonylContact O-C 3.56Å; L247-L250 WeakPolarHBondContact O-CA 3.3Å; L247-L250 WeakPolarHBondContact O-CB 3.32Å; L247-L250 PolarHBondContact O-N 3.43Å; L247-F251 HydrophobicContact CB-CD2 4.2Å; L247-F251 HydrophobicContact CB-CE2 4.37Å; L247-F251 HydrophobicContact CD2-CE2 3.98Å; L247-F251 WeakPolarHBondContact O-CD2 3.45Å; L247-F251 PolarHBondContact O-N 3.42Å; L247-L305 HydrophobicContact CD2-CD2 4.09Å; L247-L310 HydrophobicContact CD2-CD1 4.26Å
248	D	58.6	Low	61.4	Low	111 Å²	111	73.2 Å²	73.2	59%	0.594	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-61	-32.4	178.5	-29.3	-54.2	0	0	0	112.3	Q246 L250 F251 N252	Q246-D248 PolarHBondContact O-N 3.27Å; D248-L250 PolarHBondContact O-N 3.28Å; D248-F251 CarbonylContact O-C 3.56Å; D248-N252 PolarHBondContact O-N 3.16Å
249	N	60.4	Low	60.7	Low	74 Å²	74	76.7 Å²	76.7	40%	0.396	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-77.9	-5.3	175.2	-76.5	-58.7	0	0	0	113.4	L245 Q246 L247 Q271	L245-N249 HydrophobicContact CD1-CB 3.73Å; Q246-N249 WeakPolarHBondContact O-CB 3.47Å; Q246-N249 PolarHBondContact O-N 2.87Å; Q246-N249 VanDerWaalsContact O-N 3.13Å; Q246-N249 PolarHBondContact OE1-ND2 3.28Å; L247-N249 PolarHBondContact O-N 3.34Å; N249-Q271 PolarHBondContact O-NE2 3.07Å
250	L	59.7	Low	59.9	Low	0 Å²	0	77.5 Å²	77.5	0%	0	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-37.9	170	-168.3	67.5	0	0	0	110.9	L236 L247 D248 N252 N255 F268 Q271 L275 F304	L236-L250 HydrophobicContact CD2-CD1 4.18Å; L247-L250 CarbonylContact O-C 3.56Å; L247-L250 WeakPolarHBondContact O-CA 3.3Å; L247-L250 WeakPolarHBondContact O-CB 3.32Å; L247-L250 PolarHBondContact O-N 3.43Å; D248-L250 PolarHBondContact O-N 3.28Å; L250-N252 PolarHBondContact O-N 3.16Å; L250-N255 PolarHBondContact O-ND2 2.72Å; L250-F268 HydrophobicContact CD1-CE2 3.89Å; L250-F268 HydrophobicContact CD1-CZ 3.94Å; L250-F268 HydrophobicContact CD2-CE2 3.92Å; L250-F268 HydrophobicContact CD2-CZ 4.09Å; L250-F268 HydrophobicContact CG-CE2 3.79Å; L250-F268 HydrophobicContact CG-CZ 4.21Å; L250-Q271 HydrophobicContact CD1-CG 4.44Å; L250-L275 HydrophobicContact CD1-CD1 3.76Å; L250-F304 HydrophobicContact CD2-CE1 3.73Å; L250-F304 HydrophobicContact CD2-CE2 4.1Å; L250-F304 HydrophobicContact CD2-CZ 3.32Å
251	F	60.2	Low	59.4	Low	27 Å²	27	81.4 Å²	81.4	12%	0.118	42%	0.421	C	S	.	.	S	Bend	trans	-99.3	60	178.2	-54.8	-50.4	0	0	0	111.8	L247 D248 Y256 I263 F268 I301 F304	L247-F251 HydrophobicContact CB-CD2 4.2Å; L247-F251 HydrophobicContact CB-CE2 4.37Å; L247-F251 HydrophobicContact CD2-CE2 3.98Å; L247-F251 WeakPolarHBondContact O-CD2 3.45Å; L247-F251 PolarHBondContact O-N 3.42Å; D248-F251 CarbonylContact O-C 3.56Å; F251-Y256 HydrophobicContact CB-CG 4.18Å; F251-Y256 HydrophobicContact CD1-CD2 4.4Å; F251-I263 HydrophobicContact CD1-CD1 4.48Å; F251-I263 HydrophobicContact CD1-CG1 4.21Å; F251-I263 HydrophobicContact CE1-CD1 3.5Å; F251-I263 HydrophobicContact CE1-CG1 3.68Å; F251-I263 HydrophobicContact CZ-CD1 3.94Å; F251-I263 HydrophobicContact CZ-CG1 4.49Å; F251-F268 HydrophobicContact CE1-CE2 4.47Å; F251-I301 HydrophobicContact CD2-CD1 3.91Å; F251-I301 HydrophobicContact CE2-CD1 3.58Å; F251-I301 HydrophobicContact CE2-CG1 4.07Å; F251-I301 HydrophobicContact CZ-CD1 3.97Å; F251-I301 HydrophobicContact CZ-CG1 4.01Å; F251-F304 HydrophobicContact CE2-CD1 4.48Å; F251-F304 AromaticContact CZ-CD1 3.7Å; F251-F304 HydrophobicContact CZ-CD1 3.7Å; F251-F304 AromaticContact CZ-CE1 3.93Å; F251-F304 HydrophobicContact CZ-CE1 3.93Å; F251-F304 HydrophobicContact CZ-CG 4.3Å
252	N	58.9	Low	59.2	Low	49 Å²	49	78.1 Å²	78.1	26%	0.262	40%	0.404	S	S	.	.			trans	-57.9	153	162.7	-95	93.4	0	0	0	110.4	D248 L250 N254 N255 Q271 R274	D248-N252 PolarHBondContact O-N 3.16Å; L250-N252 PolarHBondContact O-N 3.16Å; N252-N254 PolarHBondContact O-N 2.7Å; N252-N255 WeakPolarHBondContact O-CB 3.12Å; N252-N255 PolarHBondContact O-N 3.36Å; N252-Q271 PolarHBondContact OD1-NE2 3.12Å; N252-R274 PolarHBondContact OD1-NH1 3.26Å; N252-R274 PolarHBondContact OD1-NH2 3.12Å
253	L	50.9	Low	59.6	Low	142 Å²	142	70.8 Å²	70.8	74%	0.743	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	-29.8	178	-68.8	165.1	0	0	0	115.3
254	N	54.6	Low	60.1	Low	107 Å²	107	72.4 Å²	72.4	57%	0.572	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-34.1	176.5	-60.3	33.7	0	0	0	112.9	N252 E267	N252-N254 PolarHBondContact O-N 2.7Å; N254-E267 WeakPolarHBondContact O-CG 3.36Å
255	N	57.2	Low	61	Low	4 Å²	4	71.9 Å²	71.9	2%	0.021	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-17.3	-165.1	-49.8	-15	0	0	0	112.7	L250 N252 I263 Q264 E267 Q271	L250-N255 PolarHBondContact O-ND2 2.72Å; N252-N255 WeakPolarHBondContact O-CB 3.12Å; N252-N255 PolarHBondContact O-N 3.36Å; N255-I263 WeakPolarHBondContact O-CA 3.3Å; N255-Q264 PolarHBondContact O-N 3.32Å; N255-E267 HydrophobicContact CB-CB 4.36Å; N255-Q271 VanDerWaalsContact ND2-CB 3.34Å; N255-Q271 WeakPolarHBondContact ND2-CB 3.46Å; N255-Q271 VanDerWaalsContact ND2-CG 3.26Å; N255-Q271 WeakPolarHBondContact ND2-CG 3.42Å; N255-Q271 PolarHBondContact ND2-OE1 3.3Å
256	Y	57.1	Low	61.7	Low	39 Å²	39	75.7 Å²	75.7	15%	0.153	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	118.1	-161.8	179.6	-108.7	0	0	0	110.6	F251 E258 Q261 L262 I263 I301	F251-Y256 HydrophobicContact CB-CG 4.18Å; F251-Y256 HydrophobicContact CD1-CD2 4.4Å; Y256-E258 HydrophobicContact CD1-CG 4.1Å; Y256-E258 HydrophobicContact CE1-CG 4.07Å; Y256-E258 PolarHBondContact O-N 3.07Å; Y256-Q261 PolarHBondContact OH-NE2 3.02Å; Y256-Q261 VanDerWaalsContact OH-NE2 3.11Å; Y256-Q261 PolarHBondContact OH-OE1 3.4Å; Y256-Q261 VanDerWaalsContact OH-OE1 3.08Å; Y256-L262 WeakPolarHBondContact CA-O 3.38Å; Y256-I263 HydrophobicContact CD2-CG1 4.37Å; Y256-I301 HydrophobicContact CD2-CD1 4.39Å; Y256-I301 HydrophobicContact CE2-CB 4.07Å; Y256-I301 HydrophobicContact CE2-CD1 3.69Å; Y256-I301 HydrophobicContact CE2-CG1 4.41Å; Y256-I301 HydrophobicContact CE2-CG2 4.36Å
257	D	60.7	Low	62.3	Low	47 Å²	47	72.9 Å²	72.9	25%	0.251	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	105.9	173.4	-179.2	-19.2	0	0	0	109.2	Q259 N260 Q261 L262	D257-Q259 PolarHBondContact O-N 3.44Å; D257-Q259 WeakPolarHBondContact OD1-CA 3.28Å; D257-Q259 WeakPolarHBondContact OD1-CB 3.32Å; D257-Q259 PolarHBondContact OD1-N 3.46Å; D257-N260 HydrophobicContact CB-CB 4.45Å; D257-N260 PolarHBondContact O-N 2.9Å; D257-N260 PolarHBondContact OD1-N 2.98Å; D257-N260 PolarHBondContact OD2-ND2 2.78Å; D257-Q261 VanDerWaalsContact O-CA 3.31Å; D257-Q261 WeakPolarHBondContact O-CA 3.36Å; D257-Q261 PolarHBondContact O-N 3.25Å; D257-L262 HydrophobicContact CB-CB 4.34Å; D257-L262 PolarHBondContact N-O 2.74Å; D257-L262 PolarHBondContact O-N 2.97Å
258	E	57.1	Low	63.2	Low	134 Å²	134	69.6 Å²	69.6	63%	0.626	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-32.3	178.9	-64.6	-173.1	156.3	0	0	113	Y256 Q261	Y256-E258 HydrophobicContact CD1-CG 4.1Å; Y256-E258 HydrophobicContact CE1-CG 4.07Å; Y256-E258 PolarHBondContact O-N 3.07Å; E258-Q261 PolarHBondContact O-NE2 3.46Å
259	Q	57.2	Low	64.3	Low	181 Å²	181	66.1 Å²	66.1	85%	0.846	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-38.9	-176.6	-56.4	-175.4	0.9	0	0	111.4	D257	D257-Q259 PolarHBondContact O-N 3.44Å; D257-Q259 WeakPolarHBondContact OD1-CA 3.28Å; D257-Q259 WeakPolarHBondContact OD1-CB 3.32Å; D257-Q259 PolarHBondContact OD1-N 3.46Å
260	N	58	Low	65.1	Low	99 Å²	99	67.9 Å²	67.9	53%	0.529	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-5.3	-176.8	-64.8	-70.5	0	0	0	114.4	D257 L262	D257-N260 HydrophobicContact CB-CB 4.45Å; D257-N260 PolarHBondContact O-N 2.9Å; D257-N260 PolarHBondContact OD1-N 2.98Å; D257-N260 PolarHBondContact OD2-ND2 2.78Å; N260-L262 HydrophobicContact CB-CB 4.33Å; N260-L262 HydrophobicContact CB-CD1 3.73Å; N260-L262 HydrophobicContact CB-CG 3.81Å; N260-L262 PolarHBondContact O-N 2.93Å
261	Q	63.1	Low	65.8	Low	100 Å²	100	68.1 Å²	68.1	47%	0.467	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	31.2	-174.9	-52.9	-83.2	-63	0	0	112.9	Y256 D257 E258 I301	Y256-Q261 PolarHBondContact OH-NE2 3.02Å; Y256-Q261 VanDerWaalsContact OH-NE2 3.11Å; Y256-Q261 PolarHBondContact OH-OE1 3.4Å; Y256-Q261 VanDerWaalsContact OH-OE1 3.08Å; D257-Q261 VanDerWaalsContact O-CA 3.31Å; D257-Q261 WeakPolarHBondContact O-CA 3.36Å; D257-Q261 PolarHBondContact O-N 3.25Å; E258-Q261 PolarHBondContact O-NE2 3.46Å; Q261-I301 HydrophobicContact CB-CG2 4.04Å; Q261-I301 PolarHBondContact O-N 2.86Å
262	L	66.8	Low	66.8	Low	38 Å²	38	66.8 Å²	66.8	20%	0.199	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.6	-171.6	-70.8	178	0	0	0	112.6	Y256 D257 N260 N298 P300	Y256-L262 WeakPolarHBondContact CA-O 3.38Å; D257-L262 HydrophobicContact CB-CB 4.34Å; D257-L262 PolarHBondContact N-O 2.74Å; D257-L262 PolarHBondContact O-N 2.97Å; N260-L262 HydrophobicContact CB-CB 4.33Å; N260-L262 HydrophobicContact CB-CD1 3.73Å; N260-L262 HydrophobicContact CB-CG 3.81Å; N260-L262 PolarHBondContact O-N 2.93Å; L262-N298 HydrophobicContact CB-CB 4.23Å; L262-N298 HydrophobicContact CD1-CB 3.93Å; L262-N298 HydrophobicContact CD2-CB 4.11Å; L262-N298 HydrophobicContact CG-CB 4.31Å; L262-P300 HydrophobicContact CD2-CB 4.48Å; L262-P300 HydrophobicContact CD2-CG 4.04Å
263	I	70.3	Confident	67.8	Low	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.7	174	-55.4	159.7	0	0	0	108.7	F251 N255 Y256 F268 W288 N298 L299 I301 F304	F251-I263 HydrophobicContact CD1-CD1 4.48Å; F251-I263 HydrophobicContact CD1-CG1 4.21Å; F251-I263 HydrophobicContact CE1-CD1 3.5Å; F251-I263 HydrophobicContact CE1-CG1 3.68Å; F251-I263 HydrophobicContact CZ-CD1 3.94Å; F251-I263 HydrophobicContact CZ-CG1 4.49Å; N255-I263 WeakPolarHBondContact O-CA 3.3Å; Y256-I263 HydrophobicContact CD2-CG1 4.37Å; I263-F268 HydrophobicContact CG2-CB 4.13Å; I263-F268 HydrophobicContact CG2-CD2 3.48Å; I263-F268 VanDerWaalsContact CG2-CD2 3.48Å; I263-F268 HydrophobicContact CG2-CE2 4.23Å; I263-F268 HydrophobicContact CG2-CG 4.11Å; I263-W288 HydrophobicContact CG2-CH2 4.23Å; I263-N298 WeakPolarHBondContact O-CA 3.49Å; I263-L299 HydrophobicContact CB-CB 4.29Å; I263-L299 WeakPolarHBondContact CB-O 3.32Å; I263-L299 HydrophobicContact CD1-CD2 4.07Å; I263-L299 HydrophobicContact CD1-CG 4.44Å; I263-L299 PolarHBondContact N-O 3.16Å; I263-L299 PolarHBondContact O-N 3.03Å; I263-I301 HydrophobicContact CD1-CB 4.37Å; I263-I301 HydrophobicContact CD1-CG1 4.45Å; I263-F304 HydrophobicContact CD1-CB 3.73Å; I263-F304 HydrophobicContact CD1-CG 4.2Å
264	Q	72.3	Confident	69	Low	86 Å²	86	67.2 Å²	67.2	40%	0.402	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.9	179.5	-62.3	-167.9	27.5	0	0	111.8	N255 N266 E267 F268	N255-Q264 PolarHBondContact O-N 3.32Å; Q264-N266 PolarHBondContact O-N 3.45Å; Q264-E267 HydrophobicContact CB-CB 4.33Å; Q264-E267 HydrophobicContact CB-CG 4.4Å; Q264-F268 WeakPolarHBondContact O-CB 3.47Å; Q264-F268 PolarHBondContact O-N 3.44Å
265	R	78.1	Confident	69.8	Low	78 Å²	78	63.8 Å²	63.8	29%	0.294	30%	0.299	S	S	.	.	H	α-helix	trans	-55.1	-46	-176.5	-178.8	-171	73.5	-165.4	-0.5	114.2	F269 F284 W288 P297	R265-F269 PolarHBondContact O-N 2.89Å; R265-F284 HydrophobicContact CG-CE1 3.68Å; R265-F284 HydrophobicContact CG-CZ 3.92Å; R265-F284 VanDerWaalsContact O-CZ 3.32Å; R265-F284 WeakPolarHBondContact O-CZ 3.33Å; R265-W288 HydrophobicContact CB-CD2 4.16Å; R265-W288 HydrophobicContact CB-CE3 4.48Å; R265-W288 HydrophobicContact CB-CH2 3.98Å; R265-W288 HydrophobicContact CB-CZ2 3.58Å; R265-W288 HydrophobicContact CB-CZ3 4.41Å; R265-W288 HydrophobicContact CG-CD2 3.7Å; R265-W288 HydrophobicContact CG-CE3 4.13Å; R265-W288 HydrophobicContact CG-CG 4.02Å; R265-W288 HydrophobicContact CG-CZ2 4.1Å; R265-P297 WeakPolarHBondContact CB-O 3.28Å; R265-P297 PolarHBondContact N-O 2.8Å
266	N	73.1	Confident	70.6	Confident	89 Å²	89	65.5 Å²	65.5	48%	0.476	32%	0.318	S	S	.	.	H	α-helix	trans	-73.8	-45.3	-171.8	-61.7	-3.1	0	0	0	110.8	Q264 F268 F269 H270	Q264-N266 PolarHBondContact O-N 3.45Å; N266-F268 VanDerWaalsContact C-N 3.32Å; N266-F268 PolarHBondContact O-N 2.66Å; N266-F269 WeakPolarHBondContact O-CB 3.42Å; N266-F269 PolarHBondContact O-N 2.81Å; N266-F269 VanDerWaalsContact O-N 3.1Å; N266-H270 PolarHBondContact O-CD2 3.46Å; N266-H270 PolarHBondContact O-N 3.28Å; N266-H270 VanDerWaalsContact O-N 3.13Å
267	E	73.3	Confident	71.7	Confident	57 Å²	57	64.1 Å²	64.1	27%	0.266	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-37.8	175.4	-63.7	-57.3	116.7	0	0	111.8	N254 N255 Q264 F269 H270 Q271	N254-E267 WeakPolarHBondContact O-CG 3.36Å; N255-E267 HydrophobicContact CB-CB 4.36Å; Q264-E267 HydrophobicContact CB-CB 4.33Å; Q264-E267 HydrophobicContact CB-CG 4.4Å; E267-F269 VanDerWaalsContact C-N 3.3Å; E267-F269 PolarHBondContact O-N 3.11Å; E267-H270 PolarHBondContact O-N 3.14Å; E267-H270 VanDerWaalsContact O-N 3.15Å; E267-Q271 PolarHBondContact O-N 2.96Å
268	F	80	Confident	72.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-36.8	173.1	-162.2	-88.3	0	0	0	112.5	L250 F251 I263 Q264 N266 Q271 L272 F284 F287 W288 F304	L250-F268 HydrophobicContact CD1-CE2 3.89Å; L250-F268 HydrophobicContact CD1-CZ 3.94Å; L250-F268 HydrophobicContact CD2-CE2 3.92Å; L250-F268 HydrophobicContact CD2-CZ 4.09Å; L250-F268 HydrophobicContact CG-CE2 3.79Å; L250-F268 HydrophobicContact CG-CZ 4.21Å; F251-F268 HydrophobicContact CE1-CE2 4.47Å; I263-F268 HydrophobicContact CG2-CB 4.13Å; I263-F268 HydrophobicContact CG2-CD2 3.48Å; I263-F268 VanDerWaalsContact CG2-CD2 3.48Å; I263-F268 HydrophobicContact CG2-CE2 4.23Å; I263-F268 HydrophobicContact CG2-CG 4.11Å; Q264-F268 WeakPolarHBondContact O-CB 3.47Å; Q264-F268 PolarHBondContact O-N 3.44Å; N266-F268 VanDerWaalsContact C-N 3.32Å; N266-F268 PolarHBondContact O-N 2.66Å; F268-Q271 PolarHBondContact O-N 2.75Å; F268-L272 HydrophobicContact CD1-CD1 3.88Å; F268-L272 HydrophobicContact CD1-CD2 4.46Å; F268-L272 HydrophobicContact CD1-CG 3.94Å; F268-L272 HydrophobicContact CE1-CD1 3.79Å; F268-L272 HydrophobicContact CE1-CD2 3.84Å; F268-L272 HydrophobicContact CE1-CG 3.8Å; F268-L272 HydrophobicContact CZ-CD2 4.42Å; F268-L272 WeakPolarHBondContact O-CG 3.45Å; F268-L272 PolarHBondContact O-N 3.11Å; F268-F284 HydrophobicContact CD1-CE2 4.34Å; F268-F287 HydrophobicContact CD1-CE1 4.13Å; F268-F287 AromaticContact CE1-CE1 3.55Å; F268-F287 HydrophobicContact CE1-CE1 3.55Å; F268-F287 AromaticContact CE1-CZ 3.82Å; F268-F287 HydrophobicContact CE1-CZ 3.82Å; F268-F287 HydrophobicContact CZ-CE1 4.49Å; F268-F287 HydrophobicContact CZ-CZ 4.46Å; F268-W288 HydrophobicContact CB-CZ3 4Å; F268-W288 HydrophobicContact CD1-CZ3 4.14Å; F268-W288 HydrophobicContact CG-CZ3 4.07Å; F268-F304 HydrophobicContact CE2-CE2 4.34Å; F268-F304 AromaticContact CZ-CE2 3.9Å; F268-F304 HydrophobicContact CZ-CE2 3.9Å
269	F	81.4	Confident	73.5	Confident	38 Å²	38	61.5 Å²	61.5	17%	0.167	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-40.8	173.6	178	-113.3	0	0	0	112.4	R265 N266 E267 L272 T273 L279 F284	R265-F269 PolarHBondContact O-N 2.89Å; N266-F269 WeakPolarHBondContact O-CB 3.42Å; N266-F269 PolarHBondContact O-N 2.81Å; N266-F269 VanDerWaalsContact O-N 3.1Å; E267-F269 VanDerWaalsContact C-N 3.3Å; E267-F269 PolarHBondContact O-N 3.11Å; F269-L272 PolarHBondContact O-N 3.01Å; F269-T273 PolarHBondContact O-N 3.47Å; F269-T273 PolarHBondContact O-OG1 3.08Å; F269-L279 HydrophobicContact CE2-CB 4.47Å; F269-F284 HydrophobicContact CB-CD1 4.1Å; F269-F284 HydrophobicContact CB-CD2 4.28Å; F269-F284 HydrophobicContact CB-CE1 3.79Å; F269-F284 HydrophobicContact CB-CE2 3.98Å; F269-F284 HydrophobicContact CB-CG 4.34Å; F269-F284 HydrophobicContact CB-CZ 3.74Å; F269-F284 HydrophobicContact CD2-CB 3.79Å; F269-F284 AromaticContact CD2-CD1 3.82Å; F269-F284 HydrophobicContact CD2-CD1 3.82Å; F269-F284 AromaticContact CD2-CD2 3.67Å; F269-F284 HydrophobicContact CD2-CD2 3.67Å; F269-F284 HydrophobicContact CD2-CE1 4.37Å; F269-F284 HydrophobicContact CD2-CE2 4.24Å; F269-F284 AromaticContact CD2-CG 3.44Å; F269-F284 HydrophobicContact CD2-CG 3.44Å; F269-F284 VanDerWaalsContact CD2-CG 3.44Å; F269-F284 HydrophobicContact CE2-CB 3.89Å; F269-F284 HydrophobicContact CE2-CG 4.07Å; F269-F284 HydrophobicContact CG-CD1 4.13Å; F269-F284 HydrophobicContact CG-CD2 4.42Å; F269-F284 HydrophobicContact CG-CE1 4.33Å; F269-F284 HydrophobicContact CG-CG 4.18Å
270	H	78	Confident	74.6	Confident	111 Å²	111	54.3 Å²	54.3	51%	0.514	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-39.2	172.9	-70.3	-63.9	0	0	0	111.9	N266 E267 T273 R274	N266-H270 PolarHBondContact O-CD2 3.46Å; N266-H270 PolarHBondContact O-N 3.28Å; N266-H270 VanDerWaalsContact O-N 3.13Å; E267-H270 PolarHBondContact O-N 3.14Å; E267-H270 VanDerWaalsContact O-N 3.15Å; H270-T273 WeakPolarHBondContact O-CB 3.26Å; H270-T273 PolarHBondContact O-N 2.83Å; H270-R274 WeakPolarHBondContact O-CB 3.47Å; H270-R274 PolarHBondContact O-N 2.69Å
271	Q	73.3	Confident	75.5	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.019	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-42.3	175	-166.8	76.1	-7.2	0	0	112.7	N249 L250 N252 N255 E267 F268 T273 R274 L275	N249-Q271 PolarHBondContact O-NE2 3.07Å; L250-Q271 HydrophobicContact CD1-CG 4.44Å; N252-Q271 PolarHBondContact OD1-NE2 3.12Å; N255-Q271 VanDerWaalsContact ND2-CB 3.34Å; N255-Q271 WeakPolarHBondContact ND2-CB 3.46Å; N255-Q271 VanDerWaalsContact ND2-CG 3.26Å; N255-Q271 WeakPolarHBondContact ND2-CG 3.42Å; N255-Q271 PolarHBondContact ND2-OE1 3.3Å; E267-Q271 PolarHBondContact O-N 2.96Å; F268-Q271 PolarHBondContact O-N 2.75Å; Q271-T273 VanDerWaalsContact C-N 3.29Å; Q271-T273 PolarHBondContact O-N 2.86Å; Q271-R274 VanDerWaalsContact NE2-NH2 3.2Å; Q271-R274 CarbonylContact O-C 3.59Å; Q271-R274 PolarHBondContact O-N 3.08Å; Q271-R274 VanDerWaalsContact O-N 3.16Å; Q271-R274 VanDerWaalsContact OE1-CZ 3.31Å; Q271-L275 HydrophobicContact CG-CD1 4.13Å; Q271-L275 HydrophobicContact CG-CG 4.49Å; Q271-L275 WeakPolarHBondContact O-CB 3.42Å; Q271-L275 VanDerWaalsContact O-CG 3.3Å; Q271-L275 WeakPolarHBondContact O-CG 3.3Å; Q271-L275 PolarHBondContact O-N 3.01Å
272	L	81.1	Confident	76.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-44.5	173.5	-69.1	178.1	0	0	0	110.9	V232 L236 F268 F269 R274 L275 G276 L277 L279 F284 F287	V232-L272 HydrophobicContact CG1-CD1 4.28Å; V232-L272 HydrophobicContact CG1-CD2 4.1Å; L236-L272 HydrophobicContact CD1-CD2 3.8Å; L236-L272 HydrophobicContact CD2-CD2 4.06Å; L236-L272 HydrophobicContact CG-CD2 4.37Å; F268-L272 HydrophobicContact CD1-CD1 3.88Å; F268-L272 HydrophobicContact CD1-CD2 4.46Å; F268-L272 HydrophobicContact CD1-CG 3.94Å; F268-L272 HydrophobicContact CE1-CD1 3.79Å; F268-L272 HydrophobicContact CE1-CD2 3.84Å; F268-L272 HydrophobicContact CE1-CG 3.8Å; F268-L272 HydrophobicContact CZ-CD2 4.42Å; F268-L272 WeakPolarHBondContact O-CG 3.45Å; F268-L272 PolarHBondContact O-N 3.11Å; F269-L272 PolarHBondContact O-N 3.01Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-R274 PolarHBondContact O-N 2.72Å; L272-L275 PolarHBondContact O-N 2.9Å; L272-G276 PolarHBondContact O-N 2.91Å; L272-L277 HydrophobicContact CB-CB 4.31Å; L272-L277 HydrophobicContact CD2-CD1 4.06Å; L272-L277 WeakPolarHBondContact O-CA 3.4Å; L272-L277 WeakPolarHBondContact O-CB 3.36Å; L272-L277 PolarHBondContact O-N 3.49Å; L272-L279 HydrophobicContact CB-CD1 4.23Å; L272-L279 HydrophobicContact CD1-CD1 3.69Å; L272-F284 HydrophobicContact CD1-CD2 4.03Å; L272-F284 HydrophobicContact CD1-CE2 3.96Å; L272-F287 HydrophobicContact CD1-CD1 4.38Å; L272-F287 HydrophobicContact CD1-CE1 4.09Å; L272-F287 HydrophobicContact CD1-CZ 4.44Å
273	T	79.7	Confident	77.1	Confident	45 Å²	45	53.1 Å²	53.1	28%	0.276	27%	0.267	S	S	.	.	H	α-helix	trans	-59.6	-43.9	174.7	-53.9	0	0	0	0	111.4	F269 H270 Q271 L275 G276 Y278	F269-T273 PolarHBondContact O-N 3.47Å; F269-T273 PolarHBondContact O-OG1 3.08Å; H270-T273 WeakPolarHBondContact O-CB 3.26Å; H270-T273 PolarHBondContact O-N 2.83Å; Q271-T273 VanDerWaalsContact C-N 3.29Å; Q271-T273 PolarHBondContact O-N 2.86Å; T273-L275 VanDerWaalsContact C-N 3.3Å; T273-L275 PolarHBondContact O-N 3.04Å; T273-G276 PolarHBondContact O-N 3.49Å; T273-G276 VanDerWaalsContact O-N 3.14Å; T273-Y278 HydrophobicContact CG2-CD1 3.95Å; T273-Y278 HydrophobicContact CG2-CE1 3.79Å
274	R	76.5	Confident	77.8	Confident	154 Å²	154	53.7 Å²	53.7	58%	0.581	27%	0.269	S	S	*	.	H	α-helix	trans	-66.7	-26.7	176.8	-153.4	-174.9	80.1	-174.6	4.4	113.5	N252 H270 Q271 L272 G276	N252-R274 PolarHBondContact OD1-NH1 3.26Å; N252-R274 PolarHBondContact OD1-NH2 3.12Å; H270-R274 WeakPolarHBondContact O-CB 3.47Å; H270-R274 PolarHBondContact O-N 2.69Å; Q271-R274 VanDerWaalsContact NE2-NH2 3.2Å; Q271-R274 CarbonylContact O-C 3.59Å; Q271-R274 PolarHBondContact O-N 3.08Å; Q271-R274 VanDerWaalsContact O-N 3.16Å; Q271-R274 VanDerWaalsContact OE1-CZ 3.31Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-R274 PolarHBondContact O-N 2.72Å; R274-G276 VanDerWaalsContact C-N 3.27Å
275	L	71.5	Confident	78.2	Confident	35 Å²	35	53.4 Å²	53.4	18%	0.183	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.7	174.7	-70.3	171.1	0	0	0	113.5	L245 L250 Q271 L272 T273 L277	L245-L275 HydrophobicContact CD1-CD1 4.37Å; L245-L275 HydrophobicContact CD1-CD2 3.89Å; L245-L275 HydrophobicContact CD2-CD1 4.41Å; L250-L275 HydrophobicContact CD1-CD1 3.76Å; Q271-L275 HydrophobicContact CG-CD1 4.13Å; Q271-L275 HydrophobicContact CG-CG 4.49Å; Q271-L275 WeakPolarHBondContact O-CB 3.42Å; Q271-L275 VanDerWaalsContact O-CG 3.3Å; Q271-L275 WeakPolarHBondContact O-CG 3.3Å; Q271-L275 PolarHBondContact O-N 3.01Å; L272-L275 PolarHBondContact O-N 2.9Å; T273-L275 VanDerWaalsContact C-N 3.3Å; T273-L275 PolarHBondContact O-N 3.04Å; L275-L277 HydrophobicContact CB-CD1 4.35Å; L275-L277 HydrophobicContact CB-CG 4.42Å
276	G	75	Confident	78.4	Confident	41 Å²	41	55.4 Å²	55.4	42%	0.423	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	12.7	-178.9	0	0	0	0	0	114.5	L272 T273 R274 Y278	L272-G276 PolarHBondContact O-N 2.91Å; T273-G276 PolarHBondContact O-N 3.49Å; T273-G276 VanDerWaalsContact O-N 3.14Å; R274-G276 VanDerWaalsContact C-N 3.27Å; G276-Y278 PolarHBondContact O-N 3.04Å
277	L	78.3	Confident	79	Confident	9 Å²	9	51.2 Å²	51.2	5%	0.047	26%	0.258	C	S	.	.			trans	-101.2	68.9	-174.8	-56.9	173.9	0	0	0	110.5	L227 V232 I235 L236 L272 L275 L279	L227-L277 HydrophobicContact CD1-CD2 3.96Å; V232-L277 HydrophobicContact CG1-CB 4.42Å; V232-L277 HydrophobicContact CG1-CD1 4.28Å; V232-L277 HydrophobicContact CG2-CB 4.29Å; I235-L277 HydrophobicContact CB-CD2 4.41Å; I235-L277 HydrophobicContact CD1-CD2 4.09Å; I235-L277 HydrophobicContact CG2-CD2 3.84Å; L236-L277 HydrophobicContact CD2-CD1 3.85Å; L236-L277 HydrophobicContact CG-CD1 4.14Å; L272-L277 HydrophobicContact CB-CB 4.31Å; L272-L277 HydrophobicContact CD2-CD1 4.06Å; L272-L277 WeakPolarHBondContact O-CA 3.4Å; L272-L277 WeakPolarHBondContact O-CB 3.36Å; L272-L277 PolarHBondContact O-N 3.49Å; L275-L277 HydrophobicContact CB-CD1 4.35Å; L275-L277 HydrophobicContact CB-CG 4.42Å; L277-L279 VanDerWaalsContact O-CD1 3.25Å; L277-L279 WeakPolarHBondContact O-CD1 3.1Å; L277-L279 PolarHBondContact O-N 2.92Å
278	Y	76.9	Confident	79.4	Confident	120 Å²	120	48.5 Å²	48.5	47%	0.471	25%	0.246	S	C	.	.			trans	-66.2	114.5	-179.9	-56.8	-79.1	0	0	0	111.8	L227 T273 G276	L227-Y278 PolarHBondContact N-O 2.98Å; T273-Y278 HydrophobicContact CG2-CD1 3.95Å; T273-Y278 HydrophobicContact CG2-CE1 3.79Å; G276-Y278 PolarHBondContact O-N 3.04Å
279	L	80	Confident	79.5	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.031	27%	0.273	C	S	.	.			trans	-110	153.9	167.3	-53.2	102	0	0	0	110.1	F226 V232 F269 L272 L277 E283 F284 F287	F226-L279 VanDerWaalsContact CD1-C 3.46Å; V232-L279 HydrophobicContact CB-CD2 4.09Å; V232-L279 HydrophobicContact CG1-CD1 4.27Å; V232-L279 HydrophobicContact CG1-CD2 4.45Å; V232-L279 HydrophobicContact CG2-CD1 4.04Å; V232-L279 HydrophobicContact CG2-CD2 3.73Å; V232-L279 HydrophobicContact CG2-CG 3.81Å; F269-L279 HydrophobicContact CE2-CB 4.47Å; L272-L279 HydrophobicContact CB-CD1 4.23Å; L272-L279 HydrophobicContact CD1-CD1 3.69Å; L277-L279 VanDerWaalsContact O-CD1 3.25Å; L277-L279 WeakPolarHBondContact O-CD1 3.1Å; L277-L279 PolarHBondContact O-N 2.92Å; L279-E283 HydrophobicContact CB-CB 4.21Å; L279-E283 HydrophobicContact CD2-CB 4.15Å; L279-F284 HydrophobicContact CB-CB 4.21Å; L279-F287 HydrophobicContact CD2-CB 4.4Å
280	S	80.5	Confident	79.1	Confident	30 Å²	30	59.6 Å²	59.6	21%	0.21	29%	0.29	C	S	.	.			trans	-72	157.1	160.6	67.7	0	0	0	0	109.9	S282 E283 F284	S280-S282 PolarHBondContact O-N 3.26Å; S280-S282 VanDerWaalsContact O-N 3.11Å; S280-S282 PolarHBondContact OG-OG 2.99Å; S280-S282 VanDerWaalsContact OG-OG 3.13Å; S280-E283 PolarHBondContact O-N 3.35Å; S280-E283 PolarHBondContact OG-N 2.95Å; S280-F284 PolarHBondContact O-N 3.01Å
281	N	77.3	Confident	78.9	Confident	117 Å²	117	54.5 Å²	54.5	63%	0.626	27%	0.266	S	S	*	.	H	α-helix	trans	-55.4	-32.5	177	-64.9	-10.5	0	0	0	112.5	L285	N281-L285 WeakPolarHBondContact O-CG 3.37Å; N281-L285 PolarHBondContact O-N 2.98Å
282	S	79.1	Confident	78.8	Confident	72 Å²	72	54.4 Å²	54.4	50%	0.503	27%	0.266	S	S	.	.	H	α-helix	trans	-76.3	-34.1	177.6	55.5	0	0	0	0	113.7	S280 K286	S280-S282 PolarHBondContact O-N 3.26Å; S280-S282 VanDerWaalsContact O-N 3.11Å; S280-S282 PolarHBondContact OG-OG 2.99Å; S280-S282 VanDerWaalsContact OG-OG 3.13Å; S282-K286 WeakPolarHBondContact O-CG 3.39Å; S282-K286 PolarHBondContact O-N 3.05Å
283	E	83.9	Confident	78	Confident	24 Å²	24	60 Å²	60	11%	0.112	30%	0.303	C	S	.	.	H	α-helix	trans	-73.5	-37.3	170.5	-73.1	-57.9	125.7	0	0	111.7	L228 A229 L279 S280 L285 K286 F287	L228-E283 WeakPolarHBondContact CA-OE2 3.46Å; A229-E283 WeakPolarHBondContact CB-O 3.46Å; A229-E283 WeakPolarHBondContact CB-OE2 3.45Å; A229-E283 PolarHBondContact N-OE2 3.08Å; L279-E283 HydrophobicContact CB-CB 4.21Å; L279-E283 HydrophobicContact CD2-CB 4.15Å; S280-E283 PolarHBondContact O-N 3.35Å; S280-E283 PolarHBondContact OG-N 2.95Å; E283-L285 VanDerWaalsContact C-N 3.35Å; E283-L285 PolarHBondContact O-N 3.49Å; E283-K286 WeakPolarHBondContact O-CB 3.31Å; E283-K286 PolarHBondContact O-N 2.84Å; E283-K286 VanDerWaalsContact O-N 3.14Å; E283-K286 WeakPolarHBondContact OE1-CD 3.33Å; E283-K286 WeakPolarHBondContact OE1-CE 3.4Å; E283-K286 IonicContact OE1-NZ 1.93Å; E283-K286 PolarHBondContact OE1-NZ 3.31Å; E283-F287 PolarHBondContact O-N 3.21Å
284	F	84.5	Confident	77.3	Confident	12 Å²	12	65.7 Å²	65.7	5%	0.053	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-39.6	173.8	179.5	-109.5	0	0	0	112.4	R265 F268 F269 L272 L279 S280 K286 F287 W288	R265-F284 HydrophobicContact CG-CE1 3.68Å; R265-F284 HydrophobicContact CG-CZ 3.92Å; R265-F284 VanDerWaalsContact O-CZ 3.32Å; R265-F284 WeakPolarHBondContact O-CZ 3.33Å; F268-F284 HydrophobicContact CD1-CE2 4.34Å; F269-F284 HydrophobicContact CB-CD1 4.1Å; F269-F284 HydrophobicContact CB-CD2 4.28Å; F269-F284 HydrophobicContact CB-CE1 3.79Å; F269-F284 HydrophobicContact CB-CE2 3.98Å; F269-F284 HydrophobicContact CB-CG 4.34Å; F269-F284 HydrophobicContact CB-CZ 3.74Å; F269-F284 HydrophobicContact CD2-CB 3.79Å; F269-F284 AromaticContact CD2-CD1 3.82Å; F269-F284 HydrophobicContact CD2-CD1 3.82Å; F269-F284 AromaticContact CD2-CD2 3.67Å; F269-F284 HydrophobicContact CD2-CD2 3.67Å; F269-F284 HydrophobicContact CD2-CE1 4.37Å; F269-F284 HydrophobicContact CD2-CE2 4.24Å; F269-F284 AromaticContact CD2-CG 3.44Å; F269-F284 HydrophobicContact CD2-CG 3.44Å; F269-F284 VanDerWaalsContact CD2-CG 3.44Å; F269-F284 HydrophobicContact CE2-CB 3.89Å; F269-F284 HydrophobicContact CE2-CG 4.07Å; F269-F284 HydrophobicContact CG-CD1 4.13Å; F269-F284 HydrophobicContact CG-CD2 4.42Å; F269-F284 HydrophobicContact CG-CE1 4.33Å; F269-F284 HydrophobicContact CG-CG 4.18Å; L272-F284 HydrophobicContact CD1-CD2 4.03Å; L272-F284 HydrophobicContact CD1-CE2 3.96Å; L279-F284 HydrophobicContact CB-CB 4.21Å; S280-F284 PolarHBondContact O-N 3.01Å; F284-K286 VanDerWaalsContact C-N 3.33Å; F284-K286 PolarHBondContact O-N 2.64Å; F284-F287 HydrophobicContact CD2-CD1 4.06Å; F284-F287 AromaticContact CE2-CD1 3.95Å; F284-F287 HydrophobicContact CE2-CD1 3.95Å; F284-F287 HydrophobicContact CE2-CE1 4.39Å; F284-F287 WeakPolarHBondContact O-CB 3.35Å; F284-F287 PolarHBondContact O-N 3.12Å; F284-W288 HydrophobicContact CE2-CE3 4.2Å; F284-W288 HydrophobicContact CZ-CB 4.45Å; F284-W288 HydrophobicContact CZ-CD2 4.33Å; F284-W288 AromaticContact CZ-CE3 3.75Å; F284-W288 HydrophobicContact CZ-CE3 3.75Å; F284-W288 HydrophobicContact CZ-CZ3 4.43Å; F284-W288 WeakPolarHBondContact O-CB 3.44Å; F284-W288 PolarHBondContact O-N 2.95Å
285	L	81.6	Confident	76.6	Confident	80 Å²	80	61.4 Å²	61.4	42%	0.419	31%	0.312	S	S	.	.	H	α-helix	trans	-63.9	-34.5	173.1	-75.3	167.9	0	0	0	113	N281 E283 K289	N281-L285 WeakPolarHBondContact O-CG 3.37Å; N281-L285 PolarHBondContact O-N 2.98Å; E283-L285 VanDerWaalsContact C-N 3.35Å; E283-L285 PolarHBondContact O-N 3.49Å; L285-K289 WeakPolarHBondContact O-CB 3.43Å; L285-K289 WeakPolarHBondContact O-CG 3.25Å; L285-K289 PolarHBondContact O-N 2.81Å
286	K	82	Confident	76.5	Confident	120 Å²	120	63.3 Å²	63.3	52%	0.522	32%	0.32	S	S	.	.	H	α-helix	trans	-68.7	-37.2	172.5	-67.7	169.6	-167.8	174.3	0	112.1	A229 S282 E283 F284 R290	A229-K286 HydrophobicContact CB-CB 3.89Å; S282-K286 WeakPolarHBondContact O-CG 3.39Å; S282-K286 PolarHBondContact O-N 3.05Å; E283-K286 WeakPolarHBondContact O-CB 3.31Å; E283-K286 PolarHBondContact O-N 2.84Å; E283-K286 VanDerWaalsContact O-N 3.14Å; E283-K286 WeakPolarHBondContact OE1-CD 3.33Å; E283-K286 WeakPolarHBondContact OE1-CE 3.4Å; E283-K286 IonicContact OE1-NZ 1.93Å; E283-K286 PolarHBondContact OE1-NZ 3.31Å; F284-K286 VanDerWaalsContact C-N 3.33Å; F284-K286 PolarHBondContact O-N 2.64Å; K286-R290 PolarHBondContact O-N 2.66Å
287	F	84.5	Confident	76	Confident	1 Å²	1	65.2 Å²	65.2	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-65.3	-48.5	173.7	172.4	-88.4	0	0	0	111.1	A229 V232 M233 L236 F268 L272 L279 E283 F284 R290 L291	A229-F287 HydrophobicContact CB-CB 3.91Å; V232-F287 HydrophobicContact CB-CD2 4.48Å; V232-F287 HydrophobicContact CG1-CD2 4.17Å; V232-F287 HydrophobicContact CG1-CE2 3.96Å; M233-F287 HydrophobicContact CB-CD2 4.42Å; M233-F287 HydrophobicContact CB-CE2 4.3Å; M233-F287 HydrophobicContact CE-CD2 3.85Å; M233-F287 HydrophobicContact CE-CE2 3.63Å; M233-F287 HydrophobicContact CE-CZ 4.3Å; M233-F287 HydrophobicContact SD-CE2 4.1Å; L236-F287 HydrophobicContact CD1-CE2 3.83Å; L236-F287 HydrophobicContact CD1-CZ 3.69Å; F268-F287 HydrophobicContact CD1-CE1 4.13Å; F268-F287 AromaticContact CE1-CE1 3.55Å; F268-F287 HydrophobicContact CE1-CE1 3.55Å; F268-F287 AromaticContact CE1-CZ 3.82Å; F268-F287 HydrophobicContact CE1-CZ 3.82Å; F268-F287 HydrophobicContact CZ-CE1 4.49Å; F268-F287 HydrophobicContact CZ-CZ 4.46Å; L272-F287 HydrophobicContact CD1-CD1 4.38Å; L272-F287 HydrophobicContact CD1-CE1 4.09Å; L272-F287 HydrophobicContact CD1-CZ 4.44Å; L279-F287 HydrophobicContact CD2-CB 4.4Å; E283-F287 PolarHBondContact O-N 3.21Å; F284-F287 HydrophobicContact CD2-CD1 4.06Å; F284-F287 AromaticContact CE2-CD1 3.95Å; F284-F287 HydrophobicContact CE2-CD1 3.95Å; F284-F287 HydrophobicContact CE2-CE1 4.39Å; F284-F287 WeakPolarHBondContact O-CB 3.35Å; F284-F287 PolarHBondContact O-N 3.12Å; F287-R290 VanDerWaalsContact O-CB 3.32Å; F287-R290 WeakPolarHBondContact O-CB 3.47Å; F287-R290 PolarHBondContact O-N 3.24Å; F287-R290 VanDerWaalsContact O-N 3.09Å; F287-L291 HydrophobicContact CD1-CD1 4.26Å; F287-L291 HydrophobicContact CE1-CD1 3.45Å; F287-L291 VanDerWaalsContact CE1-CD1 3.45Å; F287-L291 HydrophobicContact CE1-CG 4.39Å; F287-L291 HydrophobicContact CZ-CD1 3.68Å; F287-L291 HydrophobicContact CZ-CG 4.47Å; F287-L291 PolarHBondContact O-N 3.47Å
288	W	82.8	Confident	75.6	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65	-43.4	-178.6	-164.7	-100.5	0	0	0	112.5	I263 R265 F268 F284 R290 L291 S292 E296 L299	I263-W288 HydrophobicContact CG2-CH2 4.23Å; R265-W288 HydrophobicContact CB-CD2 4.16Å; R265-W288 HydrophobicContact CB-CE3 4.48Å; R265-W288 HydrophobicContact CB-CH2 3.98Å; R265-W288 HydrophobicContact CB-CZ2 3.58Å; R265-W288 HydrophobicContact CB-CZ3 4.41Å; R265-W288 HydrophobicContact CG-CD2 3.7Å; R265-W288 HydrophobicContact CG-CE3 4.13Å; R265-W288 HydrophobicContact CG-CG 4.02Å; R265-W288 HydrophobicContact CG-CZ2 4.1Å; F268-W288 HydrophobicContact CB-CZ3 4Å; F268-W288 HydrophobicContact CD1-CZ3 4.14Å; F268-W288 HydrophobicContact CG-CZ3 4.07Å; F284-W288 HydrophobicContact CE2-CE3 4.2Å; F284-W288 HydrophobicContact CZ-CB 4.45Å; F284-W288 HydrophobicContact CZ-CD2 4.33Å; F284-W288 AromaticContact CZ-CE3 3.75Å; F284-W288 HydrophobicContact CZ-CE3 3.75Å; F284-W288 HydrophobicContact CZ-CZ3 4.43Å; F284-W288 WeakPolarHBondContact O-CB 3.44Å; F284-W288 PolarHBondContact O-N 2.95Å; W288-R290 PolarHBondContact O-N 3.32Å; W288-R290 VanDerWaalsContact O-N 3.09Å; W288-L291 PolarHBondContact O-N 3.24Å; W288-S292 PolarHBondContact O-N 3.03Å; W288-E296 PolarHBondContact NE1-O 3.33Å; W288-L299 HydrophobicContact CH2-CB 3.73Å; W288-L299 HydrophobicContact CH2-CD2 4.22Å; W288-L299 HydrophobicContact CZ2-CB 3.62Å
289	K	81	Confident	75.3	Confident	130 Å²	130	62.5 Å²	62.5	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-58.8	-20.3	173.2	-80.6	-173.6	173.1	-172	0	114.2	L285 S292 N295	L285-K289 WeakPolarHBondContact O-CB 3.43Å; L285-K289 WeakPolarHBondContact O-CG 3.25Å; L285-K289 PolarHBondContact O-N 2.81Å; K289-S292 WeakPolarHBondContact CA-O 3.46Å; K289-S292 CarbonylContact O-C 3.59Å; K289-N295 HydrophobicContact CG-CB 4.43Å; K289-N295 WeakPolarHBondContact CG-OD1 3.4Å
290	R	73.7	Confident	75	Confident	140 Å²	140	64.6 Å²	64.6	53%	0.528	33%	0.333	S	S	.	.	H	α-helix	trans	-83	-30.1	176.6	-167.3	168	179	138.6	0.2	112.1	M233 K286 F287 W288 H307	M233-R290 HydrophobicContact CE-CB 4.26Å; M233-R290 HydrophobicContact CE-CG 4.16Å; K286-R290 PolarHBondContact O-N 2.66Å; F287-R290 VanDerWaalsContact O-CB 3.32Å; F287-R290 WeakPolarHBondContact O-CB 3.47Å; F287-R290 PolarHBondContact O-N 3.24Å; F287-R290 VanDerWaalsContact O-N 3.09Å; W288-R290 PolarHBondContact O-N 3.32Å; W288-R290 VanDerWaalsContact O-N 3.09Å; R290-H307 PolarHBondContact O-CE1 3.33Å; R290-H307 PolarHBondContact O-ND1 3.49Å; R290-H307 VanDerWaalsContact O-ND1 3.14Å
291	L	73.2	Confident	74.5	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-83.7	-45.3	173.7	-65.5	176.1	0	0	0	112.8	M233 F287 W288 P293 L299 F304 H307	M233-L291 HydrophobicContact CE-CD2 3.84Å; M233-L291 HydrophobicContact CE-CG 4.04Å; M233-L291 HydrophobicContact SD-CD2 4.41Å; F287-L291 HydrophobicContact CD1-CD1 4.26Å; F287-L291 HydrophobicContact CE1-CD1 3.45Å; F287-L291 VanDerWaalsContact CE1-CD1 3.45Å; F287-L291 HydrophobicContact CE1-CG 4.39Å; F287-L291 HydrophobicContact CZ-CD1 3.68Å; F287-L291 HydrophobicContact CZ-CG 4.47Å; F287-L291 PolarHBondContact O-N 3.47Å; W288-L291 PolarHBondContact O-N 3.24Å; L291-P293 WeakPolarHBondContact O-CD 2.99Å; L291-L299 HydrophobicContact CB-CD1 4.22Å; L291-L299 HydrophobicContact CB-CD2 3.74Å; L291-L299 HydrophobicContact CD1-CD2 4Å; L291-L299 HydrophobicContact CG-CD2 4.41Å; L291-L299 WeakPolarHBondContact O-CD1 3.34Å; L291-F304 HydrophobicContact CD1-CD2 3.99Å; L291-F304 HydrophobicContact CD1-CE2 4.37Å; L291-F304 HydrophobicContact CD2-CD2 3.99Å; L291-F304 HydrophobicContact CD2-CE2 4.5Å; L291-H307 HydrophobicContact CD2-CB 3.99Å
292	S	72	Confident	73.9	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.021	32%	0.321	C	S	.	.			trans	-111.5	99.1	171.1	-179.9	0	0	0	0	109.8	W288 K289 K294 N295 E296	W288-S292 PolarHBondContact O-N 3.03Å; K289-S292 WeakPolarHBondContact CA-O 3.46Å; K289-S292 CarbonylContact O-C 3.59Å; S292-K294 PolarHBondContact O-N 3.09Å; S292-N295 PolarHBondContact O-N 3.24Å; S292-N295 PolarHBondContact OG-N 2.85Å; S292-E296 PolarHBondContact OG-N 2.91Å; S292-E296 VanDerWaalsContact OG-N 3.11Å
293	P	64.8	Low	73.5	Confident	118 Å²	118	62.7 Å²	62.7	77%	0.766	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.5	174	-25.9	35.4	0	0	0	113.5	L291 N295	L291-P293 WeakPolarHBondContact O-CD 2.99Å; P293-N295 VanDerWaalsContact C-N 3.34Å
294	K	63.5	Low	73.1	Confident	163 Å²	163	61.6 Å²	61.6	71%	0.709	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.8	175.9	-65.8	179.8	177.4	179.5	0	113.9	S292 E296	S292-K294 PolarHBondContact O-N 3.09Å; K294-E296 HydrophobicContact CB-CG 3.85Å; K294-E296 HydrophobicContact CD-CG 4.49Å; K294-E296 WeakPolarHBondContact CD-OE1 3.18Å; K294-E296 IonicContact NZ-OE1 2.71Å; K294-E296 PolarHBondContact NZ-OE1 3.47Å; K294-E296 PolarHBondContact O-N 3.17Å
295	N	63.2	Low	72.4	Confident	64 Å²	64	63 Å²	63	34%	0.342	32%	0.317	S	S	.	.			trans	57.2	33.6	-176.9	-167.5	82.4	0	0	0	113.2	K289 S292 P293	K289-N295 HydrophobicContact CG-CB 4.43Å; K289-N295 WeakPolarHBondContact CG-OD1 3.4Å; S292-N295 PolarHBondContact O-N 3.24Å; S292-N295 PolarHBondContact OG-N 2.85Å; P293-N295 VanDerWaalsContact C-N 3.34Å
296	E	68.1	Low	71.8	Confident	76 Å²	76	62.8 Å²	62.8	36%	0.355	32%	0.317	S	S	.	.			trans	-66.3	144.8	177.2	-71.5	157.6	161.9	0	0	110.2	W288 S292 K294 N298	W288-E296 PolarHBondContact NE1-O 3.33Å; S292-E296 PolarHBondContact OG-N 2.91Å; S292-E296 VanDerWaalsContact OG-N 3.11Å; K294-E296 HydrophobicContact CB-CG 3.85Å; K294-E296 HydrophobicContact CD-CG 4.49Å; K294-E296 WeakPolarHBondContact CD-OE1 3.18Å; K294-E296 IonicContact NZ-OE1 2.71Å; K294-E296 PolarHBondContact NZ-OE1 3.47Å; K294-E296 PolarHBondContact O-N 3.17Å; E296-N298 PolarHBondContact O-N 3.47Å
297	P	64.9	Low	71.2	Confident	81 Å²	81	60.6 Å²	60.6	53%	0.526	31%	0.308	S	S	.	.	S	Bend	trans	-71.4	-22.6	-177.8	29.7	-35.6	0	0	0	113	R265	R265-P297 WeakPolarHBondContact CB-O 3.28Å; R265-P297 PolarHBondContact N-O 2.8Å
298	N	69.7	Low	70.3	Confident	70 Å²	70	60.6 Å²	60.6	37%	0.374	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.9	178.3	-60.6	-10.7	0	0	0	107.8	L262 I263 E296	L262-N298 HydrophobicContact CB-CB 4.23Å; L262-N298 HydrophobicContact CD1-CB 3.93Å; L262-N298 HydrophobicContact CD2-CB 4.11Å; L262-N298 HydrophobicContact CG-CB 4.31Å; I263-N298 WeakPolarHBondContact O-CA 3.49Å; E296-N298 PolarHBondContact O-N 3.47Å
299	L	71.6	Confident	69.3	Low	2 Å²	2	65.8 Å²	65.8	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.8	-177.5	173.4	77	0	0	0	109.7	I263 W288 L291 I301 C303 F304	I263-L299 HydrophobicContact CB-CB 4.29Å; I263-L299 WeakPolarHBondContact CB-O 3.32Å; I263-L299 HydrophobicContact CD1-CD2 4.07Å; I263-L299 HydrophobicContact CD1-CG 4.44Å; I263-L299 PolarHBondContact N-O 3.16Å; I263-L299 PolarHBondContact O-N 3.03Å; W288-L299 HydrophobicContact CH2-CB 3.73Å; W288-L299 HydrophobicContact CH2-CD2 4.22Å; W288-L299 HydrophobicContact CZ2-CB 3.62Å; L291-L299 HydrophobicContact CB-CD1 4.22Å; L291-L299 HydrophobicContact CB-CD2 3.74Å; L291-L299 HydrophobicContact CD1-CD2 4Å; L291-L299 HydrophobicContact CG-CD2 4.41Å; L291-L299 WeakPolarHBondContact O-CD1 3.34Å; L299-I301 PolarHBondContact O-N 2.69Å; L299-C303 HydrophobicContact CD1-CB 3.6Å; L299-C303 HydrophobicContact CG-CB 4.31Å; L299-F304 HydrophobicContact CD2-CB 4.08Å
300	P	73.5	Confident	68.2	Low	50 Å²	50	61.9 Å²	61.9	33%	0.325	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	136.2	172.4	-23.9	34.1	0	0	0	111.6	L262 E302 C303 F304	L262-P300 HydrophobicContact CD2-CB 4.48Å; L262-P300 HydrophobicContact CD2-CG 4.04Å; P300-E302 PolarHBondContact O-N 3.22Å; P300-E302 VanDerWaalsContact O-N 3.15Å; P300-C303 WeakPolarHBondContact O-CB 3.43Å; P300-C303 PolarHBondContact O-N 2.68Å; P300-F304 PolarHBondContact O-N 3.28Å
301	I	68.9	Low	66.6	Low	23 Å²	23	61.4 Å²	61.4	12%	0.118	32%	0.32	C	S	.	.	H	α-helix	trans	-57.4	-32.1	-178.1	-168.5	167.6	0	0	0	113	F251 Y256 Q261 I263 L299 C303 F304 L305	F251-I301 HydrophobicContact CD2-CD1 3.91Å; F251-I301 HydrophobicContact CE2-CD1 3.58Å; F251-I301 HydrophobicContact CE2-CG1 4.07Å; F251-I301 HydrophobicContact CZ-CD1 3.97Å; F251-I301 HydrophobicContact CZ-CG1 4.01Å; Y256-I301 HydrophobicContact CD2-CD1 4.39Å; Y256-I301 HydrophobicContact CE2-CB 4.07Å; Y256-I301 HydrophobicContact CE2-CD1 3.69Å; Y256-I301 HydrophobicContact CE2-CG1 4.41Å; Y256-I301 HydrophobicContact CE2-CG2 4.36Å; Q261-I301 HydrophobicContact CB-CG2 4.04Å; Q261-I301 PolarHBondContact O-N 2.86Å; I263-I301 HydrophobicContact CD1-CB 4.37Å; I263-I301 HydrophobicContact CD1-CG1 4.45Å; L299-I301 PolarHBondContact O-N 2.69Å; I301-C303 VanDerWaalsContact C-N 3.31Å; I301-C303 PolarHBondContact O-N 3.45Å; I301-F304 WeakPolarHBondContact O-CB 3.15Å; I301-F304 PolarHBondContact O-N 3.06Å; I301-F304 VanDerWaalsContact O-N 3.15Å; I301-L305 HydrophobicContact CG1-CD1 4.04Å; I301-L305 HydrophobicContact CG1-CG 4.17Å; I301-L305 WeakPolarHBondContact O-CG 3.2Å; I301-L305 PolarHBondContact O-N 3.02Å
302	E	64.5	Low	64.8	Low	101 Å²	101	65.9 Å²	65.9	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-57.4	-40.1	171.6	-73.8	-156.8	-146.8	0	0	113.1	P300 F304 L305 N306 R311	P300-E302 PolarHBondContact O-N 3.22Å; P300-E302 VanDerWaalsContact O-N 3.15Å; E302-F304 VanDerWaalsContact C-N 3.31Å; E302-F304 PolarHBondContact O-N 3.48Å; E302-L305 PolarHBondContact O-N 2.68Å; E302-N306 WeakPolarHBondContact O-CB 3.48Å; E302-N306 PolarHBondContact O-N 3.18Å; E302-N306 PolarHBondContact O-ND2 3.37Å; E302-N306 VanDerWaalsContact O-ND2 3.12Å; E302-R311 IonicContact OE1-NH2 2.83Å; E302-R311 IonicContact OE2-CZ 4Å; E302-R311 VanDerWaalsContact OE2-CZ 3.24Å; E302-R311 IonicContact OE2-NH1 3.92Å; E302-R311 PolarHBondContact OE2-NH1 3.41Å; E302-R311 IonicContact OE2-NH2 3.77Å; E302-R311 PolarHBondContact OE2-NH2 3.36Å
303	C	71.3	Confident	62.7	Low	55 Å²	55	73.8 Å²	73.8	37%	0.372	39%	0.385	S	S	.	.	H	α-helix	trans	-66.1	-36.3	178.4	-68.6	0	0	0	0	111.3	L299 P300 I301 H307	L299-C303 HydrophobicContact CD1-CB 3.6Å; L299-C303 HydrophobicContact CG-CB 4.31Å; P300-C303 WeakPolarHBondContact O-CB 3.43Å; P300-C303 PolarHBondContact O-N 2.68Å; I301-C303 VanDerWaalsContact C-N 3.31Å; I301-C303 PolarHBondContact O-N 3.45Å; C303-H307 WeakPolarHBondContact O-CB 3.45Å; C303-H307 PolarHBondContact O-N 3.04Å; C303-H307 VanDerWaalsContact O-N 3.16Å
304	F	75.1	Confident	61	Low	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-65.6	-55	171.6	-178.6	-94.4	0	0	0	111.6	L240 L250 F251 I263 F268 L291 L299 P300 I301 E302 N306 H307 M308	L240-F304 HydrophobicContact CD1-CE1 4.19Å; L240-F304 HydrophobicContact CD1-CZ 4.08Å; L250-F304 HydrophobicContact CD2-CE1 3.73Å; L250-F304 HydrophobicContact CD2-CE2 4.1Å; L250-F304 HydrophobicContact CD2-CZ 3.32Å; F251-F304 HydrophobicContact CE2-CD1 4.48Å; F251-F304 AromaticContact CZ-CD1 3.7Å; F251-F304 HydrophobicContact CZ-CD1 3.7Å; F251-F304 AromaticContact CZ-CE1 3.93Å; F251-F304 HydrophobicContact CZ-CE1 3.93Å; F251-F304 HydrophobicContact CZ-CG 4.3Å; I263-F304 HydrophobicContact CD1-CB 3.73Å; I263-F304 HydrophobicContact CD1-CG 4.2Å; F268-F304 HydrophobicContact CE2-CE2 4.34Å; F268-F304 AromaticContact CZ-CE2 3.9Å; F268-F304 HydrophobicContact CZ-CE2 3.9Å; L291-F304 HydrophobicContact CD1-CD2 3.99Å; L291-F304 HydrophobicContact CD1-CE2 4.37Å; L291-F304 HydrophobicContact CD2-CD2 3.99Å; L291-F304 HydrophobicContact CD2-CE2 4.5Å; L299-F304 HydrophobicContact CD2-CB 4.08Å; P300-F304 PolarHBondContact O-N 3.28Å; I301-F304 WeakPolarHBondContact O-CB 3.15Å; I301-F304 PolarHBondContact O-N 3.06Å; I301-F304 VanDerWaalsContact O-N 3.15Å; E302-F304 VanDerWaalsContact C-N 3.31Å; E302-F304 PolarHBondContact O-N 3.48Å; F304-N306 VanDerWaalsContact C-N 3.3Å; F304-N306 PolarHBondContact O-N 3.22Å; F304-H307 PolarHBondContact O-N 3.06Å; F304-H307 VanDerWaalsContact O-N 3.09Å; F304-M308 HydrophobicContact CD1-CG 4.11Å; F304-M308 HydrophobicContact CD2-CG 4.24Å; F304-M308 HydrophobicContact CE1-CG 3.76Å; F304-M308 HydrophobicContact CE2-CG 3.89Å; F304-M308 HydrophobicContact CE2-SD 4.25Å; F304-M308 HydrophobicContact CG-CG 4.34Å; F304-M308 HydrophobicContact CZ-CE 4.09Å; F304-M308 HydrophobicContact CZ-CG 3.63Å; F304-M308 HydrophobicContact CZ-SD 4.26Å; F304-M308 VanDerWaalsContact O-CG 3.25Å; F304-M308 WeakPolarHBondContact O-CG 3.49Å; F304-M308 PolarHBondContact O-N 2.98Å
305	L	70.1	Confident	59.2	Low	41 Å²	41	68.2 Å²	68.2	22%	0.215	38%	0.381	C	S	.	.	H	α-helix	trans	-59.3	-39.2	-177.7	-67.6	171.6	0	0	0	112.5	L247 I301 E302 M308 N309 L310	L247-L305 HydrophobicContact CD2-CD2 4.09Å; I301-L305 HydrophobicContact CG1-CD1 4.04Å; I301-L305 HydrophobicContact CG1-CG 4.17Å; I301-L305 WeakPolarHBondContact O-CG 3.2Å; I301-L305 PolarHBondContact O-N 3.02Å; E302-L305 PolarHBondContact O-N 2.68Å; L305-M308 PolarHBondContact O-N 3.04Å; L305-N309 PolarHBondContact O-N 3.09Å; L305-L310 HydrophobicContact CD2-CB 3.93Å; L305-L310 HydrophobicContact CD2-CD1 4.21Å; L305-L310 PolarHBondContact O-N 3.12Å
306	N	69.5	Low	57.6	Low	77 Å²	77	73.4 Å²	73.4	41%	0.412	41%	0.407	S	S	.	.	H	α-helix	trans	-62.9	-47.4	174	-69.4	-21.5	0	0	0	111.4	E302 F304 M308 N309 R311	E302-N306 WeakPolarHBondContact O-CB 3.48Å; E302-N306 PolarHBondContact O-N 3.18Å; E302-N306 PolarHBondContact O-ND2 3.37Å; E302-N306 VanDerWaalsContact O-ND2 3.12Å; F304-N306 VanDerWaalsContact C-N 3.3Å; F304-N306 PolarHBondContact O-N 3.22Å; N306-M308 VanDerWaalsContact C-N 3.26Å; N306-M308 PolarHBondContact O-N 3.17Å; N306-N309 PolarHBondContact O-N 3.05Å; N306-R311 WeakPolarHBondContact OD1-CD 3.31Å; N306-R311 PolarHBondContact OD1-NH1 3.33Å
307	H	69.6	Low	55.5	Low	74 Å²	74	74 Å²	74	34%	0.343	42%	0.419	S	S	.	.	H	α-helix	trans	-70.6	-21.8	-178.6	-148.6	103.1	0	0	0	113.5	R290 L291 C303 F304	R290-H307 PolarHBondContact O-CE1 3.33Å; R290-H307 PolarHBondContact O-ND1 3.49Å; R290-H307 VanDerWaalsContact O-ND1 3.14Å; L291-H307 HydrophobicContact CD2-CB 3.99Å; C303-H307 WeakPolarHBondContact O-CB 3.45Å; C303-H307 PolarHBondContact O-N 3.04Å; C303-H307 VanDerWaalsContact O-N 3.16Å; F304-H307 PolarHBondContact O-N 3.06Å; F304-H307 VanDerWaalsContact O-N 3.09Å
308	M	65.7	Low	53.6	Low	0 Å²	0	77.4 Å²	77.4	0%	0	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-4.7	177.4	-60.2	-57.3	-83.3	0	0	113.8	M233 L236 R237 L240 F304 L305 N306 L310	M233-M308 HydrophobicContact SD-SD 3.61Å; M233-M308 VanDerWaalsContact SD-SD 3.61Å; L236-M308 HydrophobicContact CB-CE 3.49Å; L236-M308 VanDerWaalsContact CB-CE 3.49Å; R237-M308 HydrophobicContact CB-CE 3.86Å; R237-M308 VanDerWaalsContact N-CE 3.31Å; L240-M308 HydrophobicContact CD1-CE 3.72Å; F304-M308 HydrophobicContact CD1-CG 4.11Å; F304-M308 HydrophobicContact CD2-CG 4.24Å; F304-M308 HydrophobicContact CE1-CG 3.76Å; F304-M308 HydrophobicContact CE2-CG 3.89Å; F304-M308 HydrophobicContact CE2-SD 4.25Å; F304-M308 HydrophobicContact CG-CG 4.34Å; F304-M308 HydrophobicContact CZ-CE 4.09Å; F304-M308 HydrophobicContact CZ-CG 3.63Å; F304-M308 HydrophobicContact CZ-SD 4.26Å; F304-M308 VanDerWaalsContact O-CG 3.25Å; F304-M308 WeakPolarHBondContact O-CG 3.49Å; F304-M308 PolarHBondContact O-N 2.98Å; L305-M308 PolarHBondContact O-N 3.04Å; N306-M308 VanDerWaalsContact C-N 3.26Å; N306-M308 PolarHBondContact O-N 3.17Å; M308-L310 HydrophobicContact CB-CD1 3.74Å; M308-L310 HydrophobicContact CB-CG 3.85Å
309	N	61.7	Low	51.6	Low	109 Å²	109	78.1 Å²	78.1	58%	0.583	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	46.9	-169.8	-73.8	49.2	0	0	0	113.4	L305 N306	L305-N309 PolarHBondContact O-N 3.09Å; N306-N309 PolarHBondContact O-N 3.05Å
310	L	58.1	Low	49.5	Very low	49 Å²	49	86.6 Å²	86.6	26%	0.257	49%	0.488	S	S	.	.			trans	-110.5	8.1	-177.6	-63.9	175.6	0	0	0	114.6	L240 L241 L247 L305 M308	L240-L310 HydrophobicContact CB-CD1 4Å; L240-L310 HydrophobicContact CB-CD2 4.39Å; L240-L310 HydrophobicContact CD1-CD1 3.93Å; L240-L310 HydrophobicContact CD2-CD1 4.35Å; L240-L310 HydrophobicContact CG-CD1 4.31Å; L241-L310 HydrophobicContact CD2-CD2 4.11Å; L247-L310 HydrophobicContact CD2-CD1 4.26Å; L305-L310 HydrophobicContact CD2-CB 3.93Å; L305-L310 HydrophobicContact CD2-CD1 4.21Å; L305-L310 PolarHBondContact O-N 3.12Å; M308-L310 HydrophobicContact CB-CD1 3.74Å; M308-L310 HydrophobicContact CB-CG 3.85Å
311	R	40.2	Very low	47.3	Very low	130 Å²	130	92.2 Å²	92.2	49%	0.491	52%	0.515	S	S	.	.			trans	-90.6	106.2	179.2	-168.1	-179.5	-159.2	137.9	3.6	111.5	E302 N306	E302-R311 IonicContact OE1-NH2 2.83Å; E302-R311 IonicContact OE2-CZ 4Å; E302-R311 VanDerWaalsContact OE2-CZ 3.24Å; E302-R311 IonicContact OE2-NH1 3.92Å; E302-R311 PolarHBondContact OE2-NH1 3.41Å; E302-R311 IonicContact OE2-NH2 3.77Å; E302-R311 PolarHBondContact OE2-NH2 3.36Å; N306-R311 WeakPolarHBondContact OD1-CD 3.31Å; N306-R311 PolarHBondContact OD1-NH1 3.33Å
312	N	35.1	Very low	45.1	Very low	97 Å²	97	98.1 Å²	98.1	52%	0.519	55%	0.547	S	S	.	.			trans	-66.4	139.4	163.9	-84.4	9.8	0	0	0	110.4	S314 E546	N312-S314 PolarHBondContact O-N 2.98Å; N312-S314 VanDerWaalsContact O-N 3.11Å; N312-E546 PolarHBondContact ND2-OE1 3.23Å; N312-E546 PolarHBondContact ND2-OE2 2.98Å
313	N	27.6	Very low	43.4	Very low	169 Å²	169	100.1 Å²	100.1	90%	0.904	56%	0.561	S	S	*	*			trans	-84.8	76.8	-179.2	-91.8	-22.1	0	0	0	111.5
314	S	28.3	Very low	41.4	Very low	98 Å²	98	106 Å²	106	69%	0.685	58%	0.583	S	S	*	*			trans	-144	69	-179.1	61.7	0	0	0	0	114.8	N312	N312-S314 PolarHBondContact O-N 2.98Å; N312-S314 VanDerWaalsContact O-N 3.11Å
315	G	27.5	Very low	39.1	Very low	67 Å²	67	113.5 Å²	113.5	69%	0.691	62%	0.622	S	S	*	*			trans	92.7	144.5	146.8	0	0	0	0	0	119.8
316	I	28	Very low	37	Very low	173 Å²	173	119.8 Å²	119.8	89%	0.887	65%	0.651	S	S	*	*			trans	70.3	127.9	148.7	-56.3	174	0	0	0	114.8
317	S	25.1	Very low	35	Very low	89 Å²	89	121 Å²	121	62%	0.622	67%	0.665	S	S	*	*			cis	-155.7	-179.9	5.8	47.5	0	0	0	0	112.9
318	N	25.2	Very low	33	Very low	152 Å²	152	124.8 Å²	124.8	81%	0.813	69%	0.688	S	S	*	*			trans	92.8	153.1	155.4	-62.1	-22.1	0	0	0	120.3
319	A	26.9	Very low	31.3	Very low	84 Å²	84	130.4 Å²	130.4	69%	0.694	72%	0.718	S	S	*	*			trans	65.7	88.3	167.8	0	0	0	0	0	118.8
320	Q	27.5	Very low	29.8	Very low	180 Å²	180	131.5 Å²	131.5	84%	0.841	73%	0.729	S	S	*	*				44.5	104.1	122.1	-64.1	167.4	-26.1	0	0	118.4
321	N	27.2	Very low	28.5	Very low	169 Å²	169	137.4 Å²	137.4	90%	0.904	76%	0.759	S	S	*	*				-152.4	135.5	115.2	-101.2	-42.7	0	0	0	110.6
322	N	23.6	Very low	28.1	Very low	146 Å²	146	137.7 Å²	137.7	78%	0.781	77%	0.77	S	S	*	*			trans	-87.6	142.5	174.8	-58.7	-42.5	0	0	0	109.6
323	N	28.7	Very low	27.9	Very low	144 Å²	144	136.9 Å²	136.9	77%	0.77	78%	0.777	S	S	*	*			trans	169.9	159.1	131.6	-82.1	-14.5	0	0	0	109.6
324	E	29.3	Very low	27.9	Very low	178 Å²	178	136 Å²	136	83%	0.832	77%	0.77	S	S	*	*			trans	51	82.5	166.9	-67.7	158.3	-140.3	0	0	114.8
325	L	25.4	Very low	27.8	Very low	157 Å²	157	136 Å²	136	82%	0.822	77%	0.767	S	S	*	*			cis	61.2	121	44.5	-119.8	174.5	0	0	0	113.1
326	Q	26.4	Very low	27.8	Very low	174 Å²	174	139.9 Å²	139.9	81%	0.813	77%	0.772	S	S	*	*			trans	77.4	98.8	173	-50.4	-175.1	2.7	0	0	119.1
327	S	29	Very low	27.8	Very low	102 Å²	102	137.4 Å²	137.4	71%	0.713	77%	0.765	S	S	*	*			trans	-176.1	90.7	142.6	-81.7	0	0	0	0	110.3
328	N	26.8	Very low	27.9	Very low	153 Å²	153	139.3 Å²	139.3	82%	0.818	77%	0.773	S	S	*	*			trans	-93.1	6.3	-178.2	-84.6	-32	0	0	0	113.4
329	D	29.4	Very low	28	Very low	118 Å²	118	137.8 Å²	137.8	63%	0.631	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-87.9	-12.5	-156	-55.8	-79.2	0	0	0	115.4	L331 L332	D329-L331 PolarHBondContact O-N 2.76Å; D329-L331 VanDerWaalsContact O-N 3.08Å; D329-L332 PolarHBondContact O-N 3.28Å
330	T	30.9	Very low	28.2	Very low	133 Å²	133	143.2 Å²	143.2	82%	0.816	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-70.6	-8.3	-171.2	-42.4	0	0	0	0	114.3
331	L	29.5	Very low	28.1	Very low	172 Å²	172	139.5 Å²	139.5	90%	0.901	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-113.6	0.9	-176.6	-80	169.2	0	0	0	115.6	D329	D329-L331 PolarHBondContact O-N 2.76Å; D329-L331 VanDerWaalsContact O-N 3.08Å
332	L	32.1	Very low	28.1	Very low	136 Å²	136	133.9 Å²	133.9	71%	0.712	74%	0.744	S	S	*	*	S	Bend	trans	-112.1	-1.9	-178.2	-81.2	163	0	0	0	114.9	D329	D329-L332 PolarHBondContact O-N 3.28Å
333	A	30.7	Very low	28.4	Very low	81 Å²	81	130.1 Å²	130.1	67%	0.669	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	15.4	-166.8	0	0	0	0	0	116.8
334	I	28.2	Very low	28.2	Very low	149 Å²	149	127.5 Å²	127.5	76%	0.764	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.5	-2.6	-178.5	-56.4	-176.9	0	0	0	112.8
335	T	26.9	Very low	28.1	Very low	99 Å²	99	122.4 Å²	122.4	61%	0.607	72%	0.716	S	S	*	*	S	Bend	trans	-90.5	141.8	159.8	42.1	0	0	0	0	109.9
336	D	26	Very low	28	Very low	149 Å²	149	119.5 Å²	119.5	80%	0.797	72%	0.715	S	S	*	*			trans	60.6	69.8	166.9	-53.5	-31.1	0	0	0	118.6
337	T	28.8	Very low	28.1	Very low	120 Å²	120	117.7 Å²	117.7	74%	0.736	71%	0.711	S	S	*	*			trans	-122.4	101.1	145.8	29.6	0	0	0	0	110.5
338	T	28.2	Very low	28.1	Very low	130 Å²	130	121.8 Å²	121.8	80%	0.798	72%	0.716	S	S	*	*			trans	-78.5	156.8	-178	46.8	0	0	0	0	112.6	K340	T338-K340 PolarHBondContact O-N 3.34Å
339	V	26.7	Very low	28.5	Very low	119 Å²	119	121.8 Å²	121.8	72%	0.721	71%	0.711	S	S	*	*			trans	-71.8	111.7	-175.8	179.7	0	0	0	0	111.4
340	K	30.3	Very low	28.5	Very low	198 Å²	198	122.2 Å²	122.2	86%	0.861	72%	0.718	S	S	*	*			trans	-117.1	124.5	141.9	-68.5	-180	179.2	177.3	0	105.4	T338	T338-K340 PolarHBondContact O-N 3.34Å
341	S	25.6	Very low	28.8	Very low	103 Å²	103	119.6 Å²	119.6	72%	0.72	70%	0.698	S	S	*	*				107.9	56.1	56.1	77	0	0	0	0	110
342	S	28	Very low	29.2	Very low	50 Å²	50	115.4 Å²	115.4	35%	0.35	68%	0.683	S	S	.	*			trans	149	144.6	145.3	54.6	0	0	0	0	116.9	M1 K2	M1-S342 CarbonylContact C-O 3.55Å; M1-S342 VanDerWaalsContact CA-O 3.26Å; M1-S342 WeakPolarHBondContact CA-O 3.22Å; M1-S342 WeakPolarHBondContact CA-OG 3.41Å; M1-S342 WeakPolarHBondContact CB-OG 3.08Å; M1-S342 WeakPolarHBondContact CG-OG 3.29Å; M1-S342 VanDerWaalsContact SD-CB 3.53Å; K2-S342 PolarHBondContact N-O 3.15Å
343	S	29.6	Very low	29.9	Very low	68 Å²	68	112.3 Å²	112.3	48%	0.476	67%	0.673	S	S	.	*			trans	55.3	132.3	171.2	174.1	0	0	0	0	119.8	M1 K2 V3	M1-S343 VanDerWaalsContact O-CB 3.22Å; M1-S343 WeakPolarHBondContact O-CB 3.03Å; M1-S343 PolarHBondContact O-OG 3.38Å; K2-S343 CarbonylContact C-O 3.12Å; K2-S343 WeakPolarHBondContact CA-O 3.38Å; V3-S343 PolarHBondContact N-O 3.06Å; V3-S343 VanDerWaalsContact N-O 3.09Å
344	A	24.4	Very low	30.9	Very low	89 Å²	89	109.2 Å²	109.2	74%	0.736	65%	0.646	S	S	*	*			trans	-103.9	141.9	164.8	0	0	0	0	0	110.4
345	A	26.5	Very low	31.9	Very low	70 Å²	70	108 Å²	108	58%	0.579	64%	0.641	S	S	*	*			trans	-158.2	135.1	153	0	0	0	0	0	109.2
346	A	24.9	Very low	33.3	Very low	96 Å²	96	108.3 Å²	108.3	79%	0.793	63%	0.634	S	S	*	*			trans	32.1	103.2	162.7	0	0	0	0	0	118.8
347	N	28.1	Very low	34.8	Very low	136 Å²	136	102 Å²	102	73%	0.727	60%	0.6	S	S	*	*			trans	-145.7	53.5	141.3	-126.5	-20.8	0	0	0	111.4	Q349	N347-Q349 PolarHBondContact O-N 3.23Å; N347-Q349 VanDerWaalsContact O-N 3.09Å
348	K	28	Very low	36.1	Very low	188 Å²	188	98 Å²	98	82%	0.817	57%	0.574	S	S	*	*			trans	-65.3	103.3	162.8	-78.3	-170.8	173	-170.4	0	107.3	T350	K348-T350 PolarHBondContact O-N 3.03Å
349	Q	35.7	Very low	37.5	Very low	153 Å²	153	94.8 Å²	94.8	72%	0.715	56%	0.555	S	S	*	*			trans	-73.7	83.8	170	-73.2	-167	-8.1	0	0	109.5	N347 I351	N347-Q349 PolarHBondContact O-N 3.23Å; N347-Q349 VanDerWaalsContact O-N 3.09Å; Q349-I351 HydrophobicContact CB-CG1 4.11Å; Q349-I351 PolarHBondContact O-N 3.25Å
350	T	28.4	Very low	38.9	Very low	127 Å²	127	91.5 Å²	91.5	78%	0.779	53%	0.533	S	S	*	.			trans	-67.8	81.2	162.6	48.6	0	0	0	0	108.5	K348 S352	K348-T350 PolarHBondContact O-N 3.03Å; T350-S352 PolarHBondContact O-N 3.02Å
351	I	37.4	Very low	40.2	Very low	78 Å²	78	82.1 Å²	82.1	40%	0.4	49%	0.493	S	S	.	.			trans	-69.1	98	-178.8	-59.4	178.7	0	0	0	108.7	Q349 K356	Q349-I351 HydrophobicContact CB-CG1 4.11Å; Q349-I351 PolarHBondContact O-N 3.25Å; I351-K356 HydrophobicContact CG2-CD 4.47Å
352	S	38.8	Very low	41.6	Very low	84 Å²	84	80.2 Å²	80.2	59%	0.587	47%	0.473	S	S	*	.			trans	-60.2	138	172.6	59	0	0	0	0	111.2	T350	T350-S352 PolarHBondContact O-N 3.02Å
353	S	46.4	Very low	42.9	Very low	72 Å²	72	84.6 Å²	84.6	50%	0.503	49%	0.486	S	S	.	.			trans	78.4	100.9	-177	-43.6	0	0	0	0	115	N355 K356	S353-N355 PolarHBondContact O-N 3.2Å; S353-N355 VanDerWaalsContact O-N 3.07Å; S353-K356 PolarHBondContact O-N 2.71Å
354	V	51.8	Low	44.2	Very low	16 Å²	16	86 Å²	86	10%	0.097	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-48.9	-33.5	171.8	-178.9	0	0	0	0	112.5	K356 I357 E516 F517 L520	V354-K356 PolarHBondContact O-N 3.43Å; V354-I357 HydrophobicContact CG1-CD1 4.15Å; V354-I357 WeakPolarHBondContact O-CB 3.43Å; V354-I357 WeakPolarHBondContact O-CG1 3.34Å; V354-I357 PolarHBondContact O-N 2.99Å; V354-E516 HydrophobicContact CG2-CB 3.98Å; V354-E516 WeakPolarHBondContact CG2-OE2 3.48Å; V354-F517 HydrophobicContact CG1-CB 3.99Å; V354-F517 HydrophobicContact CG1-CD2 3.75Å; V354-F517 HydrophobicContact CG1-CG 4.37Å; V354-L520 HydrophobicContact CG1-CD1 3.8Å
355	N	49.4	Very low	45.5	Very low	122 Å²	122	83.8 Å²	83.8	65%	0.652	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-56	-17.2	176	-62.9	-5.9	0	0	0	114.8	S353 P359	S353-N355 PolarHBondContact O-N 3.2Å; S353-N355 VanDerWaalsContact O-N 3.07Å; N355-P359 WeakPolarHBondContact O-CD 3.35Å
356	K	56.7	Low	46.8	Very low	106 Å²	106	84 Å²	84	46%	0.461	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-85.6	-13.7	176	-66.3	176.7	-176.7	165.4	0	113.9	I351 S353 V354 N360	I351-K356 HydrophobicContact CG2-CD 4.47Å; S353-K356 PolarHBondContact O-N 2.71Å; V354-K356 PolarHBondContact O-N 3.43Å; K356-N360 WeakPolarHBondContact O-CB 3.3Å; K356-N360 VanDerWaalsContact O-CG 3.23Å; K356-N360 PolarHBondContact O-N 3.5Å; K356-N360 VanDerWaalsContact O-N 3.08Å; K356-N360 PolarHBondContact O-ND2 3.37Å
357	I	57.4	Low	48.2	Very low	16 Å²	16	86.4 Å²	86.4	8%	0.082	45%	0.446	C	S	.	.	H	α-helix	trans	-68.4	-46.9	-173.5	-61.2	176.1	0	0	0	111.3	V354 N360 L361 Y507 F509 F517	V354-I357 HydrophobicContact CG1-CD1 4.15Å; V354-I357 WeakPolarHBondContact O-CB 3.43Å; V354-I357 WeakPolarHBondContact O-CG1 3.34Å; V354-I357 PolarHBondContact O-N 2.99Å; I357-N360 PolarHBondContact O-N 3.46Å; I357-L361 HydrophobicContact CG2-CD1 3.99Å; I357-L361 HydrophobicContact CG2-CG 4.44Å; I357-L361 WeakPolarHBondContact O-CG 3.48Å; I357-L361 PolarHBondContact O-N 3.25Å; I357-Y507 HydrophobicContact CG2-CE1 4.24Å; I357-F509 HydrophobicContact CD1-CE1 3.62Å; I357-F509 HydrophobicContact CD1-CZ 4.03Å; I357-F517 HydrophobicContact CB-CD2 4.41Å; I357-F517 HydrophobicContact CB-CE2 3.9Å; I357-F517 HydrophobicContact CD1-CD2 4.18Å; I357-F517 HydrophobicContact CD1-CE2 4.45Å; I357-F517 HydrophobicContact CG2-CD2 4.35Å; I357-F517 HydrophobicContact CG2-CE2 3.61Å; I357-F517 HydrophobicContact CG2-CZ 3.9Å
358	I	56.9	Low	49.3	Very low	38 Å²	38	81 Å²	81	20%	0.195	42%	0.422	C	S	.	.	H	α-helix	trans	-62.8	-48.9	179.6	-61.7	170.2	0	0	0	111.5	N360 L361 I362 F517 F538	I358-N360 VanDerWaalsContact C-N 3.3Å; I358-N360 PolarHBondContact O-N 3.44Å; I358-L361 PolarHBondContact O-N 2.98Å; I358-I362 HydrophobicContact CG2-CD1 3.99Å; I358-I362 WeakPolarHBondContact O-CG1 3.37Å; I358-I362 PolarHBondContact O-N 2.88Å; I358-F517 HydrophobicContact CG1-CE2 4.06Å; I358-F517 HydrophobicContact CG1-CZ 4.5Å; I358-F538 HydrophobicContact CG2-CE1 4.44Å; I358-F538 HydrophobicContact CG2-CZ 4.45Å
359	P	56	Low	50.4	Low	61 Å²	61	75.8 Å²	75.8	40%	0.396	40%	0.398	S	S	.	.	H	α-helix	trans	-57.8	-35.8	172.3	-27.6	35.3	0	0	0	114.6	N355 K363	N355-P359 WeakPolarHBondContact O-CD 3.35Å; P359-K363 WeakPolarHBondContact O-CG 3.21Å; P359-K363 PolarHBondContact O-N 3.06Å; P359-K363 VanDerWaalsContact O-N 3.08Å
360	N	57.6	Low	51.3	Low	50 Å²	50	73 Å²	73	27%	0.267	38%	0.384	S	S	.	.	H	α-helix	trans	-72.9	-39.6	178.2	-76.1	-10.5	0	0	0	112.2	K356 I357 I358 K363 L364	K356-N360 WeakPolarHBondContact O-CB 3.3Å; K356-N360 VanDerWaalsContact O-CG 3.23Å; K356-N360 PolarHBondContact O-N 3.5Å; K356-N360 VanDerWaalsContact O-N 3.08Å; K356-N360 PolarHBondContact O-ND2 3.37Å; I357-N360 PolarHBondContact O-N 3.46Å; I358-N360 VanDerWaalsContact C-N 3.3Å; I358-N360 PolarHBondContact O-N 3.44Å; N360-K363 PolarHBondContact O-N 2.89Å; N360-L364 WeakPolarHBondContact O-CB 3.21Å; N360-L364 WeakPolarHBondContact O-CG 3.35Å; N360-L364 PolarHBondContact O-N 2.95Å
361	L	57.1	Low	52.6	Low	2 Å²	2	70 Å²	70	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-58	-48.6	170.7	-78	166.9	0	0	0	111.1	I357 I358 K363 L364 F365 Y505 Y507 F517 F538	I357-L361 HydrophobicContact CG2-CD1 3.99Å; I357-L361 HydrophobicContact CG2-CG 4.44Å; I357-L361 WeakPolarHBondContact O-CG 3.48Å; I357-L361 PolarHBondContact O-N 3.25Å; I358-L361 PolarHBondContact O-N 2.98Å; L361-K363 VanDerWaalsContact C-N 3.33Å; L361-K363 PolarHBondContact O-N 2.91Å; L361-L364 PolarHBondContact O-N 3.11Å; L361-L364 VanDerWaalsContact O-N 3.16Å; L361-F365 HydrophobicContact CB-CD2 4.45Å; L361-F365 HydrophobicContact CB-CE2 4.25Å; L361-F365 HydrophobicContact CD2-CE2 4.48Å; L361-F365 WeakPolarHBondContact O-CD2 3.16Å; L361-F365 PolarHBondContact O-N 3.5Å; L361-Y505 HydrophobicContact CD2-CD1 4.08Å; L361-Y505 HydrophobicContact CD2-CD2 4.19Å; L361-Y505 HydrophobicContact CD2-CG 3.87Å; L361-Y507 HydrophobicContact CD2-CD2 4.39Å; L361-Y507 HydrophobicContact CD2-CE2 3.71Å; L361-Y507 HydrophobicContact CG-CE2 4.06Å; L361-F517 HydrophobicContact CD1-CZ 4.5Å; L361-F538 HydrophobicContact CB-CE1 3.85Å; L361-F538 HydrophobicContact CB-CZ 4.48Å; L361-F538 HydrophobicContact CD1-CZ 4.4Å
362	I	53.9	Low	53.3	Low	62 Å²	62	68.2 Å²	68.2	32%	0.318	36%	0.357	S	S	.	.	H	α-helix	trans	-55.9	-46.8	176.3	-67.4	163.1	0	0	0	111	I358 L364 N366 F538	I358-I362 HydrophobicContact CG2-CD1 3.99Å; I358-I362 WeakPolarHBondContact O-CG1 3.37Å; I358-I362 PolarHBondContact O-N 2.88Å; I362-L364 PolarHBondContact O-N 3.28Å; I362-N366 WeakPolarHBondContact O-CB 3.41Å; I362-N366 VanDerWaalsContact O-CG 3.31Å; I362-N366 PolarHBondContact O-N 3.35Å; I362-N366 PolarHBondContact O-OD1 2.97Å; I362-F538 HydrophobicContact CD1-CD1 4.49Å; I362-F538 HydrophobicContact CG1-CD1 3.54Å; I362-F538 HydrophobicContact CG1-CE1 3.83Å
363	K	57	Low	54	Low	143 Å²	143	65.5 Å²	65.5	62%	0.622	34%	0.337	S	S	*	.	H	α-helix	trans	-63.4	-39.5	177.2	-74.8	175.5	179.3	-178.8	0	112.9	P359 N360 L361 K367	P359-K363 WeakPolarHBondContact O-CG 3.21Å; P359-K363 PolarHBondContact O-N 3.06Å; P359-K363 VanDerWaalsContact O-N 3.08Å; N360-K363 PolarHBondContact O-N 2.89Å; L361-K363 VanDerWaalsContact C-N 3.33Å; L361-K363 PolarHBondContact O-N 2.91Å; K363-K367 WeakPolarHBondContact O-CB 3.43Å; K363-K367 PolarHBondContact O-N 2.86Å
364	L	56	Low	54.6	Low	98 Å²	98	67.5 Å²	67.5	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-50.6	177	-78.4	161.3	0	0	0	111.3	N360 L361 I362 N366 K367 G368	N360-L364 WeakPolarHBondContact O-CB 3.21Å; N360-L364 WeakPolarHBondContact O-CG 3.35Å; N360-L364 PolarHBondContact O-N 2.95Å; L361-L364 PolarHBondContact O-N 3.11Å; L361-L364 VanDerWaalsContact O-N 3.16Å; I362-L364 PolarHBondContact O-N 3.28Å; L364-N366 PolarHBondContact O-N 3.29Å; L364-K367 PolarHBondContact O-N 3.3Å; L364-G368 PolarHBondContact O-N 3.09Å
365	F	52.5	Low	54.8	Low	41 Å²	41	68.2 Å²	68.2	18%	0.18	34%	0.344	C	S	.	.	H	α-helix	trans	-56.1	-50.1	176.7	-75.5	-59.7	0	0	0	112.2	L361 K367 G368 Y369 Y505 F538	L361-F365 HydrophobicContact CB-CD2 4.45Å; L361-F365 HydrophobicContact CB-CE2 4.25Å; L361-F365 HydrophobicContact CD2-CE2 4.48Å; L361-F365 WeakPolarHBondContact O-CD2 3.16Å; L361-F365 PolarHBondContact O-N 3.5Å; F365-K367 VanDerWaalsContact C-N 3.34Å; F365-K367 PolarHBondContact O-N 3.47Å; F365-G368 PolarHBondContact O-N 2.95Å; F365-Y369 WeakPolarHBondContact O-CB 3.38Å; F365-Y369 PolarHBondContact O-N 3.16Å; F365-Y505 AromaticContact CE1-CE1 3.64Å; F365-Y505 HydrophobicContact CE1-CE1 3.64Å; F365-Y505 AromaticContact CE1-CZ 3.84Å; F365-Y505 WeakPolarHBondContact CE1-OH 3.48Å; F365-Y505 AromaticContact CZ-CE1 3.65Å; F365-Y505 HydrophobicContact CZ-CE1 3.65Å; F365-Y505 HydrophobicContact CZ-CE2 4.46Å; F365-Y505 AromaticContact CZ-CZ 3.56Å; F365-Y505 WeakPolarHBondContact CZ-OH 3.36Å; F365-F538 AromaticContact CD2-CD1 3.96Å; F365-F538 HydrophobicContact CD2-CD1 3.96Å; F365-F538 HydrophobicContact CD2-CE1 4.28Å; F365-F538 AromaticContact CE2-CD1 3.92Å; F365-F538 HydrophobicContact CE2-CD1 3.92Å; F365-F538 AromaticContact CE2-CE1 3.96Å; F365-F538 HydrophobicContact CE2-CE1 3.96Å
366	N	51.9	Low	55.1	Low	74 Å²	74	64 Å²	64	40%	0.396	32%	0.321	S	S	.	.	H	α-helix	trans	-67.8	-35.8	-176	-68.2	3.5	0	0	0	111.6	I362 L364 H370	I362-N366 WeakPolarHBondContact O-CB 3.41Å; I362-N366 VanDerWaalsContact O-CG 3.31Å; I362-N366 PolarHBondContact O-N 3.35Å; I362-N366 PolarHBondContact O-OD1 2.97Å; L364-N366 PolarHBondContact O-N 3.29Å; N366-H370 WeakPolarHBondContact O-CB 3.37Å; N366-H370 PolarHBondContact O-N 3.15Å
367	K	56.1	Low	55.3	Low	147 Å²	147	63.2 Å²	63.2	64%	0.639	32%	0.32	S	S	*	.	H	α-helix	trans	-67.8	-41.8	173.8	-172.4	174.6	-177.4	178.1	0	112.1	K363 L364 F365 N371	K363-K367 WeakPolarHBondContact O-CB 3.43Å; K363-K367 PolarHBondContact O-N 2.86Å; L364-K367 PolarHBondContact O-N 3.3Å; F365-K367 VanDerWaalsContact C-N 3.34Å; F365-K367 PolarHBondContact O-N 3.47Å; K367-N371 WeakPolarHBondContact O-CB 3.38Å; K367-N371 PolarHBondContact O-N 3.4Å; K367-N371 VanDerWaalsContact O-N 3.14Å; K367-N371 PolarHBondContact O-ND2 3.09Å; K367-N371 PolarHBondContact O-OD1 3.45Å
368	G	50.3	Low	55.4	Low	22 Å²	22	66.8 Å²	66.8	23%	0.227	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-50.5	174.8	0	0	0	0	0	112	L364 F365 N371 V372	L364-G368 PolarHBondContact O-N 3.09Å; F365-G368 PolarHBondContact O-N 2.95Å; G368-N371 PolarHBondContact O-N 3.14Å; G368-V372 WeakPolarHBondContact O-CG2 3.36Å; G368-V372 PolarHBondContact O-N 3.36Å
369	Y	52	Low	55.4	Low	79 Å²	79	65.7 Å²	65.7	31%	0.31	33%	0.331	S	S	.	.	H	α-helix	trans	-58.4	-50.5	178	-178.9	-102.1	0	0	0	112.4	F365 N371 V372 C373 Q456	F365-Y369 WeakPolarHBondContact O-CB 3.38Å; F365-Y369 PolarHBondContact O-N 3.16Å; Y369-N371 VanDerWaalsContact C-N 3.28Å; Y369-N371 PolarHBondContact O-N 3.09Å; Y369-V372 PolarHBondContact O-N 2.95Å; Y369-V372 VanDerWaalsContact O-N 3.12Å; Y369-C373 PolarHBondContact O-N 3.18Å; Y369-C373 PolarHBondContact O-SG 2.84Å; Y369-Q456 HydrophobicContact CE1-CG 4.16Å; Y369-Q456 HydrophobicContact CE2-CG 3.68Å; Y369-Q456 VanDerWaalsContact CZ-CG 3.44Å; Y369-Q456 VanDerWaalsContact OH-CG 3.28Å; Y369-Q456 WeakPolarHBondContact OH-CG 3.41Å; Y369-Q456 PolarHBondContact OH-NE2 2.89Å
370	H	54.1	Low	55.3	Low	94 Å²	94	63.7 Å²	63.7	44%	0.435	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-36.1	-178.9	-169.1	62.7	0	0	0	112.6	N366 K374	N366-H370 WeakPolarHBondContact O-CB 3.37Å; N366-H370 PolarHBondContact O-N 3.15Å; H370-K374 WeakPolarHBondContact NE2-CE 3.41Å; H370-K374 PolarHBondContact NE2-NZ 3.38Å; H370-K374 WeakPolarHBondContact O-CB 3.5Å; H370-K374 WeakPolarHBondContact O-CG 3.37Å; H370-K374 PolarHBondContact O-N 3.46Å
371	N	55.1	Low	55.6	Low	66 Å²	66	66.8 Å²	66.8	35%	0.353	33%	0.329	S	S	.	.	H	α-helix	trans	-67	-40.9	174.3	-72.1	-8.5	0	0	0	112.4	K367 G368 Y369 A375	K367-N371 WeakPolarHBondContact O-CB 3.38Å; K367-N371 PolarHBondContact O-N 3.4Å; K367-N371 VanDerWaalsContact O-N 3.14Å; K367-N371 PolarHBondContact O-ND2 3.09Å; K367-N371 PolarHBondContact O-OD1 3.45Å; G368-N371 PolarHBondContact O-N 3.14Å; Y369-N371 VanDerWaalsContact C-N 3.28Å; Y369-N371 PolarHBondContact O-N 3.09Å; N371-A375 VanDerWaalsContact O-CB 3.31Å; N371-A375 WeakPolarHBondContact O-CB 3.42Å; N371-A375 PolarHBondContact O-N 3.49Å
372	V	53	Low	55.7	Low	40 Å²	40	70.6 Å²	70.6	24%	0.242	35%	0.346	C	S	.	.	H	α-helix	trans	-66.3	-45.4	177.6	171	0	0	0	0	111.1	V15 G368 Y369 A375 I376	V15-V372 HydrophobicContact CG2-CG2 4.28Å; G368-V372 WeakPolarHBondContact O-CG2 3.36Å; G368-V372 PolarHBondContact O-N 3.36Å; Y369-V372 PolarHBondContact O-N 2.95Å; Y369-V372 VanDerWaalsContact O-N 3.12Å; V372-A375 PolarHBondContact O-N 3.26Å; V372-I376 HydrophobicContact CG1-CD1 3.91Å; V372-I376 WeakPolarHBondContact O-CG1 3.28Å; V372-I376 PolarHBondContact O-N 3.45Å
373	C	53	Low	55.7	Low	27 Å²	27	71 Å²	71	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-46.3	177.4	-66	0	0	0	0	111.8	Y369 A375 I376 E377	Y369-C373 PolarHBondContact O-N 3.18Å; Y369-C373 PolarHBondContact O-SG 2.84Å; C373-A375 VanDerWaalsContact C-N 3.3Å; C373-A375 PolarHBondContact O-N 3.11Å; C373-I376 PolarHBondContact O-N 2.93Å; C373-E377 WeakPolarHBondContact O-CB 3.44Å; C373-E377 PolarHBondContact O-N 3.31Å
374	K	58.3	Low	55.7	Low	114 Å²	114	68.5 Å²	68.5	50%	0.496	34%	0.337	S	S	.	.	H	α-helix	trans	-60.2	-37.6	174	-81.9	179.8	161.4	169.7	0	112.9	H370 H378	H370-K374 WeakPolarHBondContact NE2-CE 3.41Å; H370-K374 PolarHBondContact NE2-NZ 3.38Å; H370-K374 WeakPolarHBondContact O-CB 3.5Å; H370-K374 WeakPolarHBondContact O-CG 3.37Å; H370-K374 PolarHBondContact O-N 3.46Å; K374-H378 WeakPolarHBondContact O-CB 3.32Å; K374-H378 PolarHBondContact O-N 3.01Å
375	A	57.3	Low	55.8	Low	31 Å²	31	70.1 Å²	70.1	26%	0.256	34%	0.342	S	S	.	.	H	α-helix	trans	-66	-43.7	176.9	0	0	0	0	0	111.9	N371 V372 C373 C379 L419	N371-A375 VanDerWaalsContact O-CB 3.31Å; N371-A375 WeakPolarHBondContact O-CB 3.42Å; N371-A375 PolarHBondContact O-N 3.49Å; V372-A375 PolarHBondContact O-N 3.26Å; C373-A375 VanDerWaalsContact C-N 3.3Å; C373-A375 PolarHBondContact O-N 3.11Å; A375-C379 WeakPolarHBondContact O-CB 3.48Å; A375-C379 PolarHBondContact O-N 3.37Å; A375-C379 PolarHBondContact O-SG 2.97Å; A375-L419 HydrophobicContact CB-CD2 4.18Å
376	I	55.3	Low	56	Low	33 Å²	33	74.8 Å²	74.8	17%	0.169	36%	0.362	C	S	.	.	H	α-helix	trans	-64.1	-48	176.7	-66.7	166.8	0	0	0	110.6	V372 C373 H378 C379 T380 T415 Y448 L452	V372-I376 HydrophobicContact CG1-CD1 3.91Å; V372-I376 WeakPolarHBondContact O-CG1 3.28Å; V372-I376 PolarHBondContact O-N 3.45Å; C373-I376 PolarHBondContact O-N 2.93Å; I376-H378 VanDerWaalsContact C-N 3.34Å; I376-H378 PolarHBondContact O-N 3.34Å; I376-C379 PolarHBondContact O-N 2.87Å; I376-C379 VanDerWaalsContact O-N 3.16Å; I376-T380 PolarHBondContact O-N 3.4Å; I376-T380 PolarHBondContact O-OG1 3.36Å; I376-T415 HydrophobicContact CG1-CG2 4.48Å; I376-Y448 HydrophobicContact CG2-CD2 4.24Å; I376-Y448 HydrophobicContact CG2-CE2 4.43Å; I376-L452 HydrophobicContact CD1-CD1 4.46Å; I376-L452 HydrophobicContact CD1-CD2 4.21Å
377	E	59.6	Low	55.9	Low	90 Å²	90	75.2 Å²	75.2	42%	0.421	36%	0.361	S	S	.	.	H	α-helix	trans	-61.7	-39.5	178.9	-167.9	-163.2	154.9	0	0	112.6	C373 T380 K381	C373-E377 WeakPolarHBondContact O-CB 3.44Å; C373-E377 PolarHBondContact O-N 3.31Å; E377-T380 PolarHBondContact O-OG1 2.99Å; E377-T380 VanDerWaalsContact O-OG1 3.05Å; E377-K381 HydrophobicContact CG-CD 4.32Å; E377-K381 WeakPolarHBondContact O-CB 3.5Å; E377-K381 VanDerWaalsContact O-CG 3.31Å; E377-K381 WeakPolarHBondContact O-CG 3.11Å; E377-K381 PolarHBondContact O-N 3.05Å; E377-K381 VanDerWaalsContact O-N 3.08Å; E377-K381 WeakPolarHBondContact OE1-CE 3.37Å; E377-K381 IonicContact OE1-NZ 2.73Å; E377-K381 PolarHBondContact OE1-NZ 3.23Å
378	H	60.4	Low	55.5	Low	91 Å²	91	73.2 Å²	73.2	42%	0.421	35%	0.354	S	S	.	.	H	α-helix	trans	-67.8	-38.3	174.3	177.3	-97.5	0	0	0	111.9	K374 I376 Q382	K374-H378 WeakPolarHBondContact O-CB 3.32Å; K374-H378 PolarHBondContact O-N 3.01Å; I376-H378 VanDerWaalsContact C-N 3.34Å; I376-H378 PolarHBondContact O-N 3.34Å; H378-Q382 PolarHBondContact CE1-NE2 3.46Å; H378-Q382 PolarHBondContact NE2-NE2 3.18Å; H378-Q382 VanDerWaalsContact NE2-NE2 3.18Å; H378-Q382 WeakPolarHBondContact O-CB 3.37Å; H378-Q382 WeakPolarHBondContact O-CG 3.49Å; H378-Q382 PolarHBondContact O-N 2.9Å
379	C	56.1	Low	55.4	Low	14 Å²	14	76 Å²	76	10%	0.095	38%	0.375	C	S	.	.	H	α-helix	trans	-66.6	-43.2	176.6	-68.8	0	0	0	0	112.3	A375 I376 Q382 Y383 T415 Y418	A375-C379 WeakPolarHBondContact O-CB 3.48Å; A375-C379 PolarHBondContact O-N 3.37Å; A375-C379 PolarHBondContact O-SG 2.97Å; I376-C379 PolarHBondContact O-N 2.87Å; I376-C379 VanDerWaalsContact O-N 3.16Å; C379-Q382 PolarHBondContact O-N 2.76Å; C379-Y383 WeakPolarHBondContact O-CB 3.5Å; C379-Y383 PolarHBondContact O-N 3.48Å; C379-T415 HydrophobicContact CB-CG2 3.76Å; C379-Y418 WeakPolarHBondContact SG-CD1 3.45Å
380	T	55.7	Low	55.2	Low	19 Å²	19	78.2 Å²	78.2	12%	0.117	39%	0.392	C	S	.	.	H	α-helix	trans	-65.2	-44.2	176.8	53.8	0	0	0	0	111.2	I376 E377 Q382 Y383 I384 T407 I411	I376-T380 PolarHBondContact O-N 3.4Å; I376-T380 PolarHBondContact O-OG1 3.36Å; E377-T380 PolarHBondContact O-OG1 2.99Å; E377-T380 VanDerWaalsContact O-OG1 3.05Å; T380-Q382 PolarHBondContact O-N 2.87Å; T380-Y383 PolarHBondContact O-N 2.83Å; T380-I384 WeakPolarHBondContact O-CG1 3.26Å; T380-I384 PolarHBondContact O-N 3.48Å; T380-T407 HydrophobicContact CG2-CG2 3.91Å; T380-I411 HydrophobicContact CG2-CG2 4.19Å
381	K	61.8	Low	54.5	Low	115 Å²	115	77.1 Å²	77.1	50%	0.5	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-42.4	175.3	-73.7	174.7	175.6	177.4	0	113.1	E377 Y383 H385	E377-K381 HydrophobicContact CG-CD 4.32Å; E377-K381 WeakPolarHBondContact O-CB 3.5Å; E377-K381 VanDerWaalsContact O-CG 3.31Å; E377-K381 WeakPolarHBondContact O-CG 3.11Å; E377-K381 PolarHBondContact O-N 3.05Å; E377-K381 VanDerWaalsContact O-N 3.08Å; E377-K381 WeakPolarHBondContact OE1-CE 3.37Å; E377-K381 IonicContact OE1-NZ 2.73Å; E377-K381 PolarHBondContact OE1-NZ 3.23Å; K381-Y383 VanDerWaalsContact C-N 3.35Å; K381-Y383 PolarHBondContact O-N 2.93Å; K381-H385 PolarHBondContact O-N 3.21Å
382	Q	59.8	Low	53.6	Low	82 Å²	82	80.2 Å²	80.2	38%	0.383	42%	0.416	S	S	.	.	H	α-helix	trans	-66.6	-33.5	174.2	-77.5	-153.4	0.6	0	0	113.2	H378 C379 T380 K386	H378-Q382 PolarHBondContact CE1-NE2 3.46Å; H378-Q382 PolarHBondContact NE2-NE2 3.18Å; H378-Q382 VanDerWaalsContact NE2-NE2 3.18Å; H378-Q382 WeakPolarHBondContact O-CB 3.37Å; H378-Q382 WeakPolarHBondContact O-CG 3.49Å; H378-Q382 PolarHBondContact O-N 2.9Å; C379-Q382 PolarHBondContact O-N 2.76Å; T380-Q382 PolarHBondContact O-N 2.87Å; Q382-K386 WeakPolarHBondContact O-CB 3.37Å; Q382-K386 WeakPolarHBondContact O-CG 3.4Å; Q382-K386 PolarHBondContact O-N 3.47Å; Q382-K386 VanDerWaalsContact O-N 3.09Å
383	Y	54.5	Low	52.6	Low	71 Å²	71	83.6 Å²	83.6	28%	0.278	44%	0.442	S	S	.	.	H	α-helix	trans	-68.6	-43.4	177.4	-166.4	-81.6	0	0	0	111.5	C379 T380 K381 K386 H387 I411	C379-Y383 WeakPolarHBondContact O-CB 3.5Å; C379-Y383 PolarHBondContact O-N 3.48Å; T380-Y383 PolarHBondContact O-N 2.83Å; K381-Y383 VanDerWaalsContact C-N 3.35Å; K381-Y383 PolarHBondContact O-N 2.93Å; Y383-K386 PolarHBondContact O-N 2.95Å; Y383-H387 AromaticContact CE1-CD2 3.26Å; Y383-H387 WeakPolarHBondContact CE1-CD2 3.43Å; Y383-H387 AromaticContact CE1-NE2 3.82Å; Y383-H387 AromaticContact CZ-CD2 3.55Å; Y383-H387 AromaticContact CZ-NE2 3.77Å; Y383-H387 PolarHBondContact O-N 3.19Å; Y383-H387 PolarHBondContact OH-CD2 3.32Å; Y383-H387 PolarHBondContact OH-NE2 3.04Å; Y383-H387 VanDerWaalsContact OH-NE2 3.14Å; Y383-I411 HydrophobicContact CD1-CD1 4.1Å; Y383-I411 HydrophobicContact CD1-CG1 3.85Å; Y383-I411 HydrophobicContact CE1-CD1 4.28Å; Y383-I411 HydrophobicContact CE1-CG1 3.84Å; Y383-I411 HydrophobicContact CG-CG1 4.38Å; Y383-I411 HydrophobicContact CG-CG2 4.48Å
384	I	56.2	Low	51.7	Low	90 Å²	90	89.7 Å²	89.7	46%	0.462	47%	0.472	S	S	.	.	H	α-helix	trans	-56.9	-57.4	176.2	-69.1	163.2	0	0	0	110	T380 K386 H387 E388	T380-I384 WeakPolarHBondContact O-CG1 3.26Å; T380-I384 PolarHBondContact O-N 3.48Å; I384-K386 VanDerWaalsContact C-N 3.26Å; I384-K386 PolarHBondContact O-N 3.46Å; I384-H387 PolarHBondContact O-N 2.87Å; I384-E388 HydrophobicContact CG2-CG 4.35Å; I384-E388 WeakPolarHBondContact CG2-OE1 3.47Å; I384-E388 WeakPolarHBondContact O-CG 3.46Å; I384-E388 PolarHBondContact O-N 3.38Å
385	H	58.5	Low	50.3	Low	132 Å²	132	91.5 Å²	91.5	61%	0.611	49%	0.487	S	S	*	.	H	α-helix	trans	-59.2	-32.6	178.2	-83	-34.2	0	0	0	114	K381 E388 A389	K381-H385 PolarHBondContact O-N 3.21Å; H385-E388 IonicContact CE1-OE2 3.76Å; H385-E388 IonicContact CG-OE2 3.87Å; H385-E388 IonicContact ND1-OE2 2.91Å; H385-E388 PolarHBondContact ND1-OE2 3.27Å; H385-A389 VanDerWaalsContact O-CB 3.26Å; H385-A389 WeakPolarHBondContact O-CB 3.44Å; H385-A389 PolarHBondContact O-N 2.81Å; H385-A389 VanDerWaalsContact O-N 3.1Å
386	K	56.5	Low	49.1	Very low	140 Å²	140	96 Å²	96	61%	0.609	51%	0.506	S	S	*	.	H	α-helix	trans	-72.8	-26	175.4	-85.3	-176.2	172.6	176.9	0	114	Q382 Y383 I384 N390	Q382-K386 WeakPolarHBondContact O-CB 3.37Å; Q382-K386 WeakPolarHBondContact O-CG 3.4Å; Q382-K386 PolarHBondContact O-N 3.47Å; Q382-K386 VanDerWaalsContact O-N 3.09Å; Y383-K386 PolarHBondContact O-N 2.95Å; I384-K386 VanDerWaalsContact C-N 3.26Å; I384-K386 PolarHBondContact O-N 3.46Å; K386-N390 PolarHBondContact O-ND2 3.47Å
387	H	49.5	Very low	48.2	Very low	82 Å²	82	100.8 Å²	100.8	38%	0.38	53%	0.533	S	S	.	.	H	α-helix	trans	-81.1	-44.4	173	-111.1	-83.8	0	0	0	111.7	Y383 I384 A389 N390 S391	Y383-H387 AromaticContact CE1-CD2 3.26Å; Y383-H387 WeakPolarHBondContact CE1-CD2 3.43Å; Y383-H387 AromaticContact CE1-NE2 3.82Å; Y383-H387 AromaticContact CZ-CD2 3.55Å; Y383-H387 AromaticContact CZ-NE2 3.77Å; Y383-H387 PolarHBondContact O-N 3.19Å; Y383-H387 PolarHBondContact OH-CD2 3.32Å; Y383-H387 PolarHBondContact OH-NE2 3.04Å; Y383-H387 VanDerWaalsContact OH-NE2 3.14Å; I384-H387 PolarHBondContact O-N 2.87Å; H387-A389 VanDerWaalsContact C-N 3.27Å; H387-A389 PolarHBondContact O-N 3.27Å; H387-N390 PolarHBondContact O-N 3.24Å; H387-S391 WeakPolarHBondContact O-CB 3.38Å; H387-S391 PolarHBondContact O-N 3.38Å; H387-S391 PolarHBondContact O-OG 2.78Å; H387-S391 VanDerWaalsContact O-OG 3.12Å
388	E	48.2	Very low	47.6	Very low	106 Å²	106	103.5 Å²	103.5	50%	0.495	55%	0.55	S	S	.	.	H	α-helix	trans	-53.7	-44	174.9	-68.7	169.7	160.9	0	0	111.7	I384 H385 N390	I384-E388 HydrophobicContact CG2-CG 4.35Å; I384-E388 WeakPolarHBondContact CG2-OE1 3.47Å; I384-E388 WeakPolarHBondContact O-CG 3.46Å; I384-E388 PolarHBondContact O-N 3.38Å; H385-E388 IonicContact CE1-OE2 3.76Å; H385-E388 IonicContact CG-OE2 3.87Å; H385-E388 IonicContact ND1-OE2 2.91Å; H385-E388 PolarHBondContact ND1-OE2 3.27Å; E388-N390 VanDerWaalsContact C-N 3.29Å; E388-N390 PolarHBondContact O-N 3.3Å
389	A	49.1	Very low	46.9	Very low	79 Å²	79	103.8 Å²	103.8	65%	0.653	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-11.4	179.9	0	0	0	0	0	115.4	H385 H387	H385-A389 VanDerWaalsContact O-CB 3.26Å; H385-A389 WeakPolarHBondContact O-CB 3.44Å; H385-A389 PolarHBondContact O-N 2.81Å; H385-A389 VanDerWaalsContact O-N 3.1Å; H387-A389 VanDerWaalsContact C-N 3.27Å; H387-A389 PolarHBondContact O-N 3.27Å
390	N	46.6	Very low	46.4	Very low	126 Å²	126	109.1 Å²	109.1	67%	0.674	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	15.9	-172.8	-69.7	-72.2	0	0	0	113.8	K386 H387 E388	K386-N390 PolarHBondContact O-ND2 3.47Å; H387-N390 PolarHBondContact O-N 3.24Å; E388-N390 VanDerWaalsContact C-N 3.29Å; E388-N390 PolarHBondContact O-N 3.3Å
391	S	39.2	Very low	45.8	Very low	71 Å²	71	115 Å²	115	50%	0.497	61%	0.612	S	S	.	*			trans	-124.4	39.9	-175	-66	0	0	0	0	114.1	H387 S393	H387-S391 WeakPolarHBondContact O-CB 3.38Å; H387-S391 PolarHBondContact O-N 3.38Å; H387-S391 PolarHBondContact O-OG 2.78Å; H387-S391 VanDerWaalsContact O-OG 3.12Å; S391-S393 PolarHBondContact O-N 2.8Å
392	T	35.8	Very low	45.4	Very low	131 Å²	131	112 Å²	112	80%	0.804	60%	0.601	S	S	*	*	S	Bend	trans	-65.5	127.1	150.6	38.5	0	0	0	0	108.5
393	S	32.8	Very low	45.1	Very low	111 Å²	111	111.2 Å²	111.2	78%	0.776	60%	0.603	S	S	*	*	S	Bend	trans	62	79.5	-176.4	64.3	0	0	0	0	117.4	S391	S391-S393 PolarHBondContact O-N 2.8Å
394	L	33.5	Very low	45	Very low	156 Å²	156	114.1 Å²	114.1	82%	0.817	62%	0.623	S	S	*	*				-167.3	146.5	110.5	-124.1	69.8	0	0	0	111.1	N396	L394-N396 PolarHBondContact O-N 3.41Å
395	N	29.8	Very low	45.1	Very low	151 Å²	151	110 Å²	110	81%	0.807	60%	0.603	S	S	*	*			trans	-71.1	119	-178.2	-61.4	-24	0	0	0	111.2
396	N	32.7	Very low	45.3	Very low	125 Å²	125	107.9 Å²	107.9	67%	0.668	59%	0.59	S	S	*	*			trans	-165.3	90.6	162.2	-93.5	-40.4	0	0	0	109.8	L394 D398	L394-N396 PolarHBondContact O-N 3.41Å; N396-D398 VanDerWaalsContact C-N 3.28Å; N396-D398 PolarHBondContact O-N 2.84Å
397	N	35.7	Very low	45.6	Very low	134 Å²	134	101.6 Å²	101.6	72%	0.717	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-77.2	-3.7	-165.9	-65.4	-10.8	0	0	0	115.2	L399	N397-L399 PolarHBondContact O-N 2.99Å
398	D	46	Very low	46.4	Very low	147 Å²	147	99.4 Å²	99.4	79%	0.786	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-80.3	-10.6	-175.1	-69.1	-57	0	0	0	114.9	N396	N396-D398 VanDerWaalsContact C-N 3.28Å; N396-D398 PolarHBondContact O-N 2.84Å
399	L	47.8	Very low	47.2	Very low	98 Å²	98	95.4 Å²	95.4	51%	0.513	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-83.4	-11.4	-176.5	-92.3	159.4	0	0	0	114.9	N397 L402	N397-L399 PolarHBondContact O-N 2.99Å; L399-L402 WeakPolarHBondContact O-CD1 3.18Å
400	L	44.6	Very low	47.9	Very low	125 Å²	125	95 Å²	95	65%	0.654	53%	0.525	S	S	*	.	S	Bend	trans	-96.9	-7.3	-171.4	-77.6	157.4	0	0	0	114.7
401	N	43.4	Very low	48.8	Very low	144 Å²	144	89.8 Å²	89.8	77%	0.77	50%	0.497	S	S	*	.			trans	-124.9	57.4	-177.4	-77.2	-50.9	0	0	0	112.2	P403	N401-P403 WeakPolarHBondContact O-CD 3.44Å
402	L	52.2	Low	50.1	Low	52 Å²	52	87.6 Å²	87.6	27%	0.272	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-75.9	121.3	167.4	-82	84	0	0	0	109.6	L399 I411 L445	L399-L402 WeakPolarHBondContact O-CD1 3.18Å; L402-I411 HydrophobicContact CD2-CD1 4.37Å; L402-L445 HydrophobicContact CD2-CD2 4.07Å; L402-L445 HydrophobicContact CG-CD2 4.03Å
403	P	54	Low	51.6	Low	65 Å²	65	82.8 Å²	82.8	42%	0.422	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-65.8	143.4	176.5	25.2	-31.6	0	0	0	111.1	N401 G405 Y406 L445	N401-P403 WeakPolarHBondContact O-CD 3.44Å; P403-G405 PolarHBondContact O-N 3.37Å; P403-Y406 HydrophobicContact CB-CD2 4.2Å; P403-Y406 HydrophobicContact CG-CD2 3.71Å; P403-Y406 HydrophobicContact CG-CE2 4.38Å; P403-Y406 HydrophobicContact CG-CG 4.09Å; P403-Y406 PolarHBondContact O-N 3.04Å; P403-L445 HydrophobicContact CG-CD1 4.48Å
404	N	53.9	Low	53.1	Low	132 Å²	132	81.5 Å²	81.5	71%	0.706	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	131.1	179.4	-78.1	-23.8	0	0	0	111.1	L549	N404-L549 HydrophobicContact CB-CD1 4.39Å; N404-L549 HydrophobicContact CB-CD2 3.51Å
405	G	56.7	Low	54.4	Low	3 Å²	3	74.7 Å²	74.7	3%	0.031	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	90	-1.8	-176.2	0	0	0	0	0	116.1	P403 P447 Y448 A449	P403-G405 PolarHBondContact O-N 3.37Å; G405-P447 CarbonylContact O-C 3.5Å; G405-P447 WeakPolarHBondContact O-CA 3.26Å; G405-Y448 VanDerWaalsContact CA-CE1 3.41Å; G405-Y448 WeakPolarHBondContact O-CD1 3.34Å; G405-Y448 PolarHBondContact O-N 2.75Å; G405-A449 PolarHBondContact O-N 2.72Å
406	Y	63.6	Low	56	Low	88 Å²	88	68.3 Å²	68.3	35%	0.345	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.9	172.6	-65.8	-99.1	0	0	0	112.7	P403 T441 L445 L446 P447 Y448	P403-Y406 HydrophobicContact CB-CD2 4.2Å; P403-Y406 HydrophobicContact CG-CD2 3.71Å; P403-Y406 HydrophobicContact CG-CE2 4.38Å; P403-Y406 HydrophobicContact CG-CG 4.09Å; P403-Y406 PolarHBondContact O-N 3.04Å; Y406-T441 WeakPolarHBondContact CE1-OG1 3.16Å; Y406-L445 HydrophobicContact CD1-CB 3.88Å; Y406-L445 HydrophobicContact CG-CB 4.46Å; Y406-L446 CarbonylContact C-O 3.59Å; Y406-L446 VanDerWaalsContact CA-O 3.32Å; Y406-L446 WeakPolarHBondContact CA-O 3.38Å; Y406-P447 HydrophobicContact CD1-CB 3.96Å; Y406-P447 HydrophobicContact CE1-CB 3.68Å; Y406-P447 HydrophobicContact CE1-CG 4.45Å; Y406-Y448 WeakPolarHBondContact O-CE1 3.46Å
407	T	63.5	Low	57.5	Low	7 Å²	7	68.4 Å²	68.4	4%	0.043	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.1	175.2	41.3	0	0	0	0	111	T380 I411 L446 Y448	T380-T407 HydrophobicContact CG2-CG2 3.91Å; T407-I411 HydrophobicContact CG2-CG2 4.31Å; T407-L446 PolarHBondContact N-O 2.94Å; T407-L446 WeakPolarHBondContact O-CB 3.34Å; T407-L446 PolarHBondContact O-N 3.48Å; T407-L446 PolarHBondContact OG1-O 2.97Å; T407-Y448 HydrophobicContact CG2-CD1 3.58Å; T407-Y448 HydrophobicContact CG2-CE1 3.97Å; T407-Y448 HydrophobicContact CG2-CG 4.24Å
408	N	65.8	Low	58.7	Low	36 Å²	36	68.8 Å²	68.8	19%	0.193	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	149.7	167.8	-75.8	-22.9	0	0	0	111.1	D410 I411 F412 L445	N408-D410 PolarHBondContact O-N 3.39Å; N408-I411 HydrophobicContact CB-CD1 3.99Å; N408-I411 HydrophobicContact CB-CG1 4.09Å; N408-I411 WeakPolarHBondContact O-CB 3.37Å; N408-I411 PolarHBondContact O-N 3.46Å; N408-F412 PolarHBondContact O-N 2.94Å; N408-L445 WeakPolarHBondContact OD1-CD2 3.18Å
409	S	65.1	Low	59.2	Low	23 Å²	23	64.2 Å²	64.2	16%	0.161	32%	0.322	C	S	.	.	H	α-helix	trans	-55.3	-35.9	-178.1	63.4	0	0	0	0	114.4	L413 K426	S409-L413 WeakPolarHBondContact O-CG 3.45Å; S409-L413 PolarHBondContact O-N 2.8Å; S409-K426 WeakPolarHBondContact OG-CE 3.3Å
410	D	64.4	Low	59.6	Low	71 Å²	71	67.3 Å²	67.3	38%	0.38	33%	0.332	S	S	.	.	H	α-helix	trans	-74	-35	177.6	-55.7	-76.8	0	0	0	112.8	N408 F412 L413 E414 K426	N408-D410 PolarHBondContact O-N 3.39Å; D410-F412 VanDerWaalsContact C-N 3.34Å; D410-L413 PolarHBondContact O-N 3.08Å; D410-E414 PolarHBondContact O-N 3.21Å; D410-K426 WeakPolarHBondContact OD1-CE 3.32Å; D410-K426 IonicContact OD1-NZ 3.33Å; D410-K426 PolarHBondContact OD1-NZ 2.8Å; D410-K426 IonicContact OD2-NZ 3.08Å; D410-K426 PolarHBondContact OD2-NZ 1.93Å
411	I	64.9	Low	59.9	Low	15 Å²	15	62.4 Å²	62.4	8%	0.077	31%	0.306	C	S	.	.	H	α-helix	trans	-64.6	-41.8	173.6	-59.1	176.4	0	0	0	110	T380 Y383 L402 T407 N408 T415	T380-I411 HydrophobicContact CG2-CG2 4.19Å; Y383-I411 HydrophobicContact CD1-CD1 4.1Å; Y383-I411 HydrophobicContact CD1-CG1 3.85Å; Y383-I411 HydrophobicContact CE1-CD1 4.28Å; Y383-I411 HydrophobicContact CE1-CG1 3.84Å; Y383-I411 HydrophobicContact CG-CG1 4.38Å; Y383-I411 HydrophobicContact CG-CG2 4.48Å; L402-I411 HydrophobicContact CD2-CD1 4.37Å; T407-I411 HydrophobicContact CG2-CG2 4.31Å; N408-I411 HydrophobicContact CB-CD1 3.99Å; N408-I411 HydrophobicContact CB-CG1 4.09Å; N408-I411 WeakPolarHBondContact O-CB 3.37Å; N408-I411 PolarHBondContact O-N 3.46Å; I411-T415 VanDerWaalsContact O-CB 3.32Å; I411-T415 WeakPolarHBondContact O-CB 3.48Å; I411-T415 PolarHBondContact O-N 2.92Å; I411-T415 PolarHBondContact O-OG1 3.29Å
412	F	67.1	Low	60.3	Low	25 Å²	25	60.1 Å²	60.1	11%	0.11	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-44.8	175.4	-172.1	-106.4	0	0	0	111.2	N408 D410 T415 L416 F432 F433 L446 L451	N408-F412 PolarHBondContact O-N 2.94Å; D410-F412 VanDerWaalsContact C-N 3.34Å; F412-T415 PolarHBondContact O-N 2.9Å; F412-L416 HydrophobicContact CD1-CD1 3.87Å; F412-L416 HydrophobicContact CE1-CD1 3.64Å; F412-L416 HydrophobicContact CE1-CG 4.44Å; F412-L416 HydrophobicContact CZ-CD1 4.22Å; F412-L416 VanDerWaalsContact O-CG 3.28Å; F412-L416 WeakPolarHBondContact O-CG 3.38Å; F412-L416 PolarHBondContact O-N 3.27Å; F412-F432 HydrophobicContact CE1-CE1 4.48Å; F412-F432 HydrophobicContact CE1-CZ 4.47Å; F412-F432 HydrophobicContact CZ-CE1 4.1Å; F412-F432 HydrophobicContact CZ-CZ 4.04Å; F412-F433 HydrophobicContact CD1-CE2 4.4Å; F412-F433 AromaticContact CE1-CE2 3.93Å; F412-F433 HydrophobicContact CE1-CE2 3.93Å; F412-F433 HydrophobicContact CE1-CZ 4.49Å; F412-F433 HydrophobicContact CE2-CZ 4.35Å; F412-F433 HydrophobicContact CZ-CE2 4.03Å; F412-F433 HydrophobicContact CZ-CZ 4.2Å; F412-L446 HydrophobicContact CB-CD1 3.76Å; F412-L446 HydrophobicContact CD1-CD1 4.04Å; F412-L446 HydrophobicContact CG-CD1 3.93Å; F412-L451 HydrophobicContact CE2-CD2 4.17Å; F412-L451 HydrophobicContact CZ-CD2 4.16Å
413	L	66.2	Low	60.3	Low	31 Å²	31	65.1 Å²	65.1	16%	0.162	32%	0.324	C	S	.	.	H	α-helix	trans	-62.6	-47.1	176.2	-73.8	178.6	0	0	0	113.5	S409 D410 T415 L416 K417 L424 K426 I429	S409-L413 WeakPolarHBondContact O-CG 3.45Å; S409-L413 PolarHBondContact O-N 2.8Å; D410-L413 PolarHBondContact O-N 3.08Å; L413-T415 VanDerWaalsContact C-N 3.31Å; L413-T415 PolarHBondContact O-N 2.91Å; L413-L416 PolarHBondContact O-N 3.48Å; L413-K417 WeakPolarHBondContact O-CB 3.45Å; L413-K417 PolarHBondContact O-N 2.88Å; L413-L424 HydrophobicContact CD2-CB 4.05Å; L413-L424 WeakPolarHBondContact CD2-O 3.42Å; L413-K426 HydrophobicContact CD1-CB 4.08Å; L413-K426 HydrophobicContact CD1-CG 4.35Å; L413-I429 HydrophobicContact CD1-CD1 3.94Å; L413-I429 HydrophobicContact CD2-CD1 3.89Å; L413-I429 HydrophobicContact CD2-CG1 4.3Å; L413-I429 HydrophobicContact CG-CD1 3.73Å
414	E	64.1	Low	60.4	Low	83 Å²	83	63.1 Å²	63.1	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-67.4	-33.1	178.6	-71.6	-63.1	123.5	0	0	111.8	D410 K417 Y418	D410-E414 PolarHBondContact O-N 3.21Å; E414-K417 PolarHBondContact O-N 3.1Å; E414-K417 WeakPolarHBondContact OE1-CD 3.39Å; E414-K417 WeakPolarHBondContact OE1-CE 3.15Å; E414-K417 IonicContact OE1-NZ 2.66Å; E414-K417 PolarHBondContact OE1-NZ 2.84Å; E414-K417 WeakPolarHBondContact OE2-CD 3.4Å; E414-K417 IonicContact OE2-NZ 2.71Å; E414-K417 PolarHBondContact OE2-NZ 3.44Å; E414-Y418 WeakPolarHBondContact O-CB 3.37Å; E414-Y418 PolarHBondContact O-N 3.1Å
415	T	61.7	Low	60.6	Low	13 Å²	13	62.8 Å²	62.8	8%	0.08	30%	0.302	C	S	.	.	H	α-helix	trans	-61.5	-45.9	171.2	-59.9	0	0	0	0	111.4	I376 C379 I411 F412 L413 Y418 L419	I376-T415 HydrophobicContact CG1-CG2 4.48Å; C379-T415 HydrophobicContact CB-CG2 3.76Å; I411-T415 VanDerWaalsContact O-CB 3.32Å; I411-T415 WeakPolarHBondContact O-CB 3.48Å; I411-T415 PolarHBondContact O-N 2.92Å; I411-T415 PolarHBondContact O-OG1 3.29Å; F412-T415 PolarHBondContact O-N 2.9Å; L413-T415 VanDerWaalsContact C-N 3.31Å; L413-T415 PolarHBondContact O-N 2.91Å; T415-Y418 PolarHBondContact O-N 2.99Å; T415-L419 HydrophobicContact CG2-CD1 4.14Å; T415-L419 VanDerWaalsContact O-CG 3.3Å; T415-L419 WeakPolarHBondContact O-CG 3.24Å; T415-L419 PolarHBondContact O-N 2.89Å; T415-L419 VanDerWaalsContact O-N 3.07Å
416	L	63	Low	60.7	Low	18 Å²	18	68 Å²	68	9%	0.094	32%	0.324	C	S	.	.	H	α-helix	trans	-63.1	-42.5	176.2	-69.1	174.3	0	0	0	112.5	L19 F412 L413 L419 K420 L421 L424	L19-L416 HydrophobicContact CD2-CD2 3.47Å; L19-L416 VanDerWaalsContact CD2-CD2 3.47Å; F412-L416 HydrophobicContact CD1-CD1 3.87Å; F412-L416 HydrophobicContact CE1-CD1 3.64Å; F412-L416 HydrophobicContact CE1-CG 4.44Å; F412-L416 HydrophobicContact CZ-CD1 4.22Å; F412-L416 VanDerWaalsContact O-CG 3.28Å; F412-L416 WeakPolarHBondContact O-CG 3.38Å; F412-L416 PolarHBondContact O-N 3.27Å; L413-L416 PolarHBondContact O-N 3.48Å; L416-L419 CarbonylContact O-C 3.56Å; L416-L419 PolarHBondContact O-N 3.3Å; L416-K420 PolarHBondContact O-N 2.91Å; L416-L421 HydrophobicContact CB-CB 4.41Å; L416-L421 HydrophobicContact CD2-CD1 3.66Å; L416-L421 VanDerWaalsContact O-CB 3.28Å; L416-L421 WeakPolarHBondContact O-CB 3.49Å; L416-L421 PolarHBondContact O-N 3.36Å; L416-L424 HydrophobicContact CD1-CB 4.47Å; L416-L424 HydrophobicContact CD1-CD1 3.67Å
417	K	65	Low	60.5	Low	126 Å²	126	71.1 Å²	71.1	55%	0.548	35%	0.345	S	S	.	.	H	α-helix	trans	-63.8	-42.2	177.5	-178.7	-169	174.8	-163.9	0	111.8	L413 E414 L419 K420	L413-K417 WeakPolarHBondContact O-CB 3.45Å; L413-K417 PolarHBondContact O-N 2.88Å; E414-K417 PolarHBondContact O-N 3.1Å; E414-K417 WeakPolarHBondContact OE1-CD 3.39Å; E414-K417 WeakPolarHBondContact OE1-CE 3.15Å; E414-K417 IonicContact OE1-NZ 2.66Å; E414-K417 PolarHBondContact OE1-NZ 2.84Å; E414-K417 WeakPolarHBondContact OE2-CD 3.4Å; E414-K417 IonicContact OE2-NZ 2.71Å; E414-K417 PolarHBondContact OE2-NZ 3.44Å; K417-L419 VanDerWaalsContact C-N 3.34Å; K417-L419 PolarHBondContact O-N 2.88Å; K417-K420 WeakPolarHBondContact O-CA 3.39Å; K417-K420 PolarHBondContact O-N 3.36Å
418	Y	60.7	Low	60.5	Low	142 Å²	142	73.4 Å²	73.4	56%	0.557	36%	0.355	S	S	*	.	H	α-helix	trans	-60.5	-42.4	173.6	-179.6	-94	0	0	0	112	C379 E414 T415 K420	C379-Y418 WeakPolarHBondContact SG-CD1 3.45Å; E414-Y418 WeakPolarHBondContact O-CB 3.37Å; E414-Y418 PolarHBondContact O-N 3.1Å; T415-Y418 PolarHBondContact O-N 2.99Å; Y418-K420 PolarHBondContact O-N 3.47Å; Y418-K420 VanDerWaalsContact O-N 3.08Å
419	L	55.4	Low	60.4	Low	51 Å²	51	71.9 Å²	71.9	27%	0.267	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	2.3	173.5	-68.9	168	0	0	0	114	A375 T415 L416 K417 L421	A375-L419 HydrophobicContact CB-CD2 4.18Å; T415-L419 HydrophobicContact CG2-CD1 4.14Å; T415-L419 VanDerWaalsContact O-CG 3.3Å; T415-L419 WeakPolarHBondContact O-CG 3.24Å; T415-L419 PolarHBondContact O-N 2.89Å; T415-L419 VanDerWaalsContact O-N 3.07Å; L416-L419 CarbonylContact O-C 3.56Å; L416-L419 PolarHBondContact O-N 3.3Å; K417-L419 VanDerWaalsContact C-N 3.34Å; K417-L419 PolarHBondContact O-N 2.88Å; L419-L421 VanDerWaalsContact C-N 3.34Å; L419-L421 HydrophobicContact CB-CD1 3.49Å; L419-L421 VanDerWaalsContact CB-CD1 3.49Å; L419-L421 HydrophobicContact CB-CG 3.86Å; L419-L421 HydrophobicContact CD1-CD1 3.97Å; L419-L421 HydrophobicContact CG-CD1 4.38Å; L419-L421 PolarHBondContact O-N 3.44Å
420	K	56.4	Low	60.1	Low	164 Å²	164	72 Å²	72	71%	0.713	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	37.9	-179.9	-58.7	176.3	-177.7	173.1	0	113.2	L416 K417 Y418	L416-K420 PolarHBondContact O-N 2.91Å; K417-K420 WeakPolarHBondContact O-CA 3.39Å; K417-K420 PolarHBondContact O-N 3.36Å; Y418-K420 PolarHBondContact O-N 3.47Å; Y418-K420 VanDerWaalsContact O-N 3.08Å
421	L	50	Low	60	Low	22 Å²	22	71.3 Å²	71.3	12%	0.115	36%	0.356	C	S	.	.			trans	-97.5	150.4	-178.9	-58.7	164	0	0	0	111.8	V15 L19 L416 L419 L423	V15-L421 HydrophobicContact CG1-CD1 4.26Å; V15-L421 HydrophobicContact CG1-CD2 4.14Å; L19-L421 HydrophobicContact CB-CD2 3.93Å; L19-L421 HydrophobicContact CD1-CD1 3.35Å; L19-L421 HydrophobicContact CD1-CD2 3.86Å; L19-L421 HydrophobicContact CD1-CG 4.19Å; L19-L421 HydrophobicContact CD2-CD1 3.84Å; L19-L421 HydrophobicContact CG-CD1 4.01Å; L19-L421 HydrophobicContact CG-CD2 4.3Å; L416-L421 HydrophobicContact CB-CB 4.41Å; L416-L421 HydrophobicContact CD2-CD1 3.66Å; L416-L421 VanDerWaalsContact O-CB 3.28Å; L416-L421 WeakPolarHBondContact O-CB 3.49Å; L416-L421 PolarHBondContact O-N 3.36Å; L419-L421 VanDerWaalsContact C-N 3.34Å; L419-L421 HydrophobicContact CB-CD1 3.49Å; L419-L421 VanDerWaalsContact CB-CD1 3.49Å; L419-L421 HydrophobicContact CB-CG 3.86Å; L419-L421 HydrophobicContact CD1-CD1 3.97Å; L419-L421 HydrophobicContact CG-CD1 4.38Å; L419-L421 PolarHBondContact O-N 3.44Å; L421-L423 PolarHBondContact O-N 2.94Å
422	T	53.6	Low	60	Low	96 Å²	96	70.9 Å²	70.9	59%	0.589	35%	0.353	S	S	*	.			trans	-82.9	103.9	-164	46.6	0	0	0	0	113.3	L424	T422-L424 VanDerWaalsContact C-N 3.34Å; T422-L424 PolarHBondContact O-N 3.06Å
423	L	51.8	Low	59.9	Low	157 Å²	157	69.7 Å²	69.7	82%	0.822	35%	0.348	S	S	*	.			trans	44.5	45.4	142.4	-77.1	161.9	0	0	0	117.1	L421 K425	L421-L423 PolarHBondContact O-N 2.94Å; L423-K425 PolarHBondContact O-N 2.95Å
424	L	54.9	Low	59.9	Low	22 Å²	22	73 Å²	73	12%	0.115	37%	0.37	C	S	.	.			trans	-60.9	116	155.7	-93.4	159	0	0	0	108.1	V23 L413 L416 T422 Q428 F432	V23-L424 HydrophobicContact CG2-CD1 4.1Å; V23-L424 HydrophobicContact CG2-CD2 4.26Å; V23-L424 HydrophobicContact CG2-CG 3.94Å; L413-L424 HydrophobicContact CD2-CB 4.05Å; L413-L424 WeakPolarHBondContact CD2-O 3.42Å; L416-L424 HydrophobicContact CD1-CB 4.47Å; L416-L424 HydrophobicContact CD1-CD1 3.67Å; T422-L424 VanDerWaalsContact C-N 3.34Å; T422-L424 PolarHBondContact O-N 3.06Å; L424-Q428 HydrophobicContact CD2-CB 3.72Å; L424-F432 HydrophobicContact CD1-CD2 3.9Å; L424-F432 HydrophobicContact CD1-CE2 3.99Å; L424-F432 HydrophobicContact CD2-CD2 4.3Å
425	K	59.7	Low	59.6	Low	126 Å²	126	74.5 Å²	74.5	55%	0.548	37%	0.372	S	S	.	.			trans	-76.2	150.1	170.1	-63.7	-178.8	-179.9	178.3	0	108.9	L423 I427 Q428	L423-K425 PolarHBondContact O-N 2.95Å; K425-I427 PolarHBondContact O-N 3.42Å; K425-Q428 HydrophobicContact CB-CG 4.46Å; K425-Q428 WeakPolarHBondContact O-CB 3.33Å; K425-Q428 PolarHBondContact O-N 2.84Å
426	K	57.4	Low	59.4	Low	113 Å²	113	74.8 Å²	74.8	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-50.5	-35.9	179.2	-163	166.4	-172.8	164	0	113.4	S409 D410 L413 Q428 I429	S409-K426 WeakPolarHBondContact OG-CE 3.3Å; D410-K426 WeakPolarHBondContact OD1-CE 3.32Å; D410-K426 IonicContact OD1-NZ 3.33Å; D410-K426 PolarHBondContact OD1-NZ 2.8Å; D410-K426 IonicContact OD2-NZ 3.08Å; D410-K426 PolarHBondContact OD2-NZ 1.93Å; L413-K426 HydrophobicContact CD1-CB 4.08Å; L413-K426 HydrophobicContact CD1-CG 4.35Å; K426-Q428 VanDerWaalsContact C-N 3.33Å; K426-Q428 PolarHBondContact O-N 3.45Å; K426-I429 HydrophobicContact CG-CD1 4.31Å; K426-I429 WeakPolarHBondContact O-CG1 3.21Å; K426-I429 PolarHBondContact O-N 3.42Å
427	I	59.8	Low	59.3	Low	153 Å²	153	76.4 Å²	76.4	79%	0.785	39%	0.392	S	S	*	.	H	α-helix	trans	-58.7	-37.6	174	-58.7	165.1	0	0	0	113	K425 I429	K425-I427 PolarHBondContact O-N 3.42Å; I427-I429 VanDerWaalsContact C-N 3.33Å; I427-I429 PolarHBondContact O-N 2.77Å
428	Q	62.8	Low	59.2	Low	54 Å²	54	70.6 Å²	70.6	25%	0.252	37%	0.367	S	S	.	.	H	α-helix	trans	-80	-13.3	-174.4	-66.7	169.8	-56.7	0	0	113.1	L424 K425 K426 G430 A431 F432	L424-Q428 HydrophobicContact CD2-CB 3.72Å; K425-Q428 HydrophobicContact CB-CG 4.46Å; K425-Q428 WeakPolarHBondContact O-CB 3.33Å; K425-Q428 PolarHBondContact O-N 2.84Å; K426-Q428 VanDerWaalsContact C-N 3.33Å; K426-Q428 PolarHBondContact O-N 3.45Å; Q428-G430 VanDerWaalsContact C-N 3.34Å; Q428-G430 PolarHBondContact O-N 3.35Å; Q428-A431 PolarHBondContact O-N 3.32Å; Q428-F432 WeakPolarHBondContact O-CB 3.37Å; Q428-F432 PolarHBondContact O-N 3.02Å
429	I	64.6	Low	59.1	Low	4 Å²	4	69.5 Å²	69.5	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-63.5	-40.1	179.3	-57.8	174	0	0	0	111	L413 K426 I427 F432 F433 I440 L446	L413-I429 HydrophobicContact CD1-CD1 3.94Å; L413-I429 HydrophobicContact CD2-CD1 3.89Å; L413-I429 HydrophobicContact CD2-CG1 4.3Å; L413-I429 HydrophobicContact CG-CD1 3.73Å; K426-I429 HydrophobicContact CG-CD1 4.31Å; K426-I429 WeakPolarHBondContact O-CG1 3.21Å; K426-I429 PolarHBondContact O-N 3.42Å; I427-I429 VanDerWaalsContact C-N 3.33Å; I427-I429 PolarHBondContact O-N 2.77Å; I429-F432 WeakPolarHBondContact O-CB 3.36Å; I429-F432 PolarHBondContact O-N 2.98Å; I429-F433 HydrophobicContact CG2-CD2 3.8Å; I429-F433 HydrophobicContact CG2-CE2 4Å; I429-F433 WeakPolarHBondContact O-CD2 3.22Å; I429-F433 PolarHBondContact O-N 2.99Å; I429-I440 HydrophobicContact CG2-CD1 4.41Å; I429-L446 HydrophobicContact CG2-CD1 3.69Å; I429-L446 HydrophobicContact CG2-CD2 3.78Å; I429-L446 HydrophobicContact CG2-CG 4.41Å
430	G	59.6	Low	59.5	Low	27 Å²	27	70.2 Å²	70.2	28%	0.278	38%	0.379	S	S	.	.	H	α-helix	trans	-56.3	-54.7	173.3	0	0	0	0	0	111.3	Q428 F432 F433 T434	Q428-G430 VanDerWaalsContact C-N 3.34Å; Q428-G430 PolarHBondContact O-N 3.35Å; G430-F432 VanDerWaalsContact C-N 3.26Å; G430-F432 PolarHBondContact O-N 3.14Å; G430-F433 PolarHBondContact O-N 3.01Å; G430-T434 WeakPolarHBondContact O-CB 3.43Å; G430-T434 PolarHBondContact O-N 3.3Å; G430-T434 PolarHBondContact O-OG1 3.03Å
431	A	61.9	Low	59.8	Low	55 Å²	55	64.7 Å²	64.7	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-30.7	177.7	0	0	0	0	0	113.7	Q428 R435	Q428-A431 PolarHBondContact O-N 3.32Å; A431-R435 WeakPolarHBondContact O-CB 3.42Å; A431-R435 WeakPolarHBondContact O-CD 3.47Å; A431-R435 WeakPolarHBondContact O-CG 3.49Å; A431-R435 PolarHBondContact O-N 2.8Å
432	F	63.3	Low	60.1	Low	7 Å²	7	69.8 Å²	69.8	3%	0.031	40%	0.396	C	S	.	.	H	α-helix	trans	-65.7	-57.5	172.9	178.2	-71.7	0	0	0	110.7	L22 F412 L424 Q428 I429 G430 T434 R435 Y436 L451	L22-F432 HydrophobicContact CB-CD2 4.41Å; L22-F432 HydrophobicContact CB-CE2 3.73Å; L22-F432 HydrophobicContact CB-CZ 4.44Å; L22-F432 HydrophobicContact CD1-CE2 3.83Å; L22-F432 HydrophobicContact CD1-CZ 3.77Å; L22-F432 HydrophobicContact CD2-CE1 4.44Å; L22-F432 HydrophobicContact CD2-CE2 3.76Å; L22-F432 HydrophobicContact CD2-CZ 3.7Å; L22-F432 HydrophobicContact CG-CE2 3.97Å; L22-F432 HydrophobicContact CG-CZ 4.17Å; F412-F432 HydrophobicContact CE1-CE1 4.48Å; F412-F432 HydrophobicContact CE1-CZ 4.47Å; F412-F432 HydrophobicContact CZ-CE1 4.1Å; F412-F432 HydrophobicContact CZ-CZ 4.04Å; L424-F432 HydrophobicContact CD1-CD2 3.9Å; L424-F432 HydrophobicContact CD1-CE2 3.99Å; L424-F432 HydrophobicContact CD2-CD2 4.3Å; Q428-F432 WeakPolarHBondContact O-CB 3.37Å; Q428-F432 PolarHBondContact O-N 3.02Å; I429-F432 WeakPolarHBondContact O-CB 3.36Å; I429-F432 PolarHBondContact O-N 2.98Å; G430-F432 VanDerWaalsContact C-N 3.26Å; G430-F432 PolarHBondContact O-N 3.14Å; F432-T434 PolarHBondContact O-N 2.86Å; F432-R435 PolarHBondContact O-N 2.77Å; F432-Y436 HydrophobicContact CD1-CD2 4.17Å; F432-Y436 HydrophobicContact CD1-CE2 4.21Å; F432-Y436 HydrophobicContact CD2-CE2 4.49Å; F432-Y436 HydrophobicContact CE1-CD2 4.24Å; F432-Y436 HydrophobicContact CE1-CE2 4.32Å; F432-Y436 HydrophobicContact CG-CE2 4.29Å; F432-Y436 WeakPolarHBondContact O-CD2 3.05Å; F432-Y436 WeakPolarHBondContact O-CE2 3.21Å; F432-L451 HydrophobicContact CE1-CD1 3.96Å; F432-L451 HydrophobicContact CE1-CD2 3.83Å; F432-L451 HydrophobicContact CZ-CD2 4.22Å
433	F	66.8	Low	60.2	Low	0 Å²	0	73.5 Å²	73.5	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-65.3	-42.5	-175.7	-84.7	-100.9	0	0	0	111.2	F412 I429 G430 R435 Y436 G437 L438 I440 L446 P447 L451	F412-F433 HydrophobicContact CD1-CE2 4.4Å; F412-F433 AromaticContact CE1-CE2 3.93Å; F412-F433 HydrophobicContact CE1-CE2 3.93Å; F412-F433 HydrophobicContact CE1-CZ 4.49Å; F412-F433 HydrophobicContact CE2-CZ 4.35Å; F412-F433 HydrophobicContact CZ-CE2 4.03Å; F412-F433 HydrophobicContact CZ-CZ 4.2Å; I429-F433 HydrophobicContact CG2-CD2 3.8Å; I429-F433 HydrophobicContact CG2-CE2 4Å; I429-F433 WeakPolarHBondContact O-CD2 3.22Å; I429-F433 PolarHBondContact O-N 2.99Å; G430-F433 PolarHBondContact O-N 3.01Å; F433-R435 VanDerWaalsContact C-N 3.28Å; F433-R435 PolarHBondContact O-N 2.76Å; F433-Y436 PolarHBondContact O-N 2.88Å; F433-Y436 VanDerWaalsContact O-N 3.1Å; F433-G437 PolarHBondContact O-N 2.93Å; F433-L438 CarbonylContact C-O 3.56Å; F433-L438 HydrophobicContact CB-CB 4.05Å; F433-L438 HydrophobicContact CD1-CB 3.75Å; F433-L438 HydrophobicContact CD1-CD1 3.56Å; F433-L438 HydrophobicContact CD1-CG 4.3Å; F433-L438 HydrophobicContact CE1-CD1 3.88Å; F433-L438 HydrophobicContact CG-CB 4.38Å; F433-L438 HydrophobicContact CG-CD1 4.48Å; F433-L438 WeakPolarHBondContact O-CA 3.5Å; F433-L438 WeakPolarHBondContact O-CB 3.35Å; F433-L438 PolarHBondContact O-N 3.18Å; F433-I440 HydrophobicContact CB-CG1 4.11Å; F433-I440 HydrophobicContact CG-CG1 4.49Å; F433-L446 HydrophobicContact CD2-CD2 4.02Å; F433-L446 HydrophobicContact CE1-CB 4.01Å; F433-L446 HydrophobicContact CE2-CB 4.28Å; F433-L446 HydrophobicContact CE2-CD1 3.86Å; F433-L446 HydrophobicContact CE2-CD2 4.01Å; F433-L446 HydrophobicContact CE2-CG 4.29Å; F433-L446 HydrophobicContact CG-CD2 4.31Å; F433-L446 HydrophobicContact CZ-CB 3.77Å; F433-L446 HydrophobicContact CZ-CD1 4.1Å; F433-L446 HydrophobicContact CZ-CD2 4.27Å; F433-L446 HydrophobicContact CZ-CG 4.28Å; F433-P447 HydrophobicContact CE1-CG 4.45Å; F433-L451 HydrophobicContact CE1-CB 4.46Å; F433-L451 HydrophobicContact CE1-CD2 4.47Å; F433-L451 HydrophobicContact CZ-CD2 4.11Å
434	T	66.1	Low	60.7	Low	101 Å²	101	67.7 Å²	67.7	62%	0.62	38%	0.382	S	S	*	.	H	α-helix	trans	-59.1	-35.5	175.1	-57.2	0	0	0	0	112.9	G430 F432 Y436 G437 L438	G430-T434 WeakPolarHBondContact O-CB 3.43Å; G430-T434 PolarHBondContact O-N 3.3Å; G430-T434 PolarHBondContact O-OG1 3.03Å; F432-T434 PolarHBondContact O-N 2.86Å; T434-Y436 VanDerWaalsContact C-N 3.26Å; T434-Y436 PolarHBondContact O-N 3.22Å; T434-G437 PolarHBondContact O-N 2.85Å; T434-G437 VanDerWaalsContact O-N 3.15Å; T434-L438 PolarHBondContact N-O 3.48Å
435	R	57.3	Low	61.1	Low	114 Å²	114	67.6 Å²	67.6	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-65.3	-24.4	177.6	-86.4	172.4	176.2	-104.9	1.5	114.2	A431 F432 F433 Y470	A431-R435 WeakPolarHBondContact O-CB 3.42Å; A431-R435 WeakPolarHBondContact O-CD 3.47Å; A431-R435 WeakPolarHBondContact O-CG 3.49Å; A431-R435 PolarHBondContact O-N 2.8Å; F432-R435 PolarHBondContact O-N 2.77Å; F433-R435 VanDerWaalsContact C-N 3.28Å; F433-R435 PolarHBondContact O-N 2.76Å; R435-Y470 PolarHBondContact NH1-OH 2.79Å
436	Y	57.8	Low	61.4	Low	19 Å²	19	61.6 Å²	61.6	8%	0.075	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	17.2	176.7	-55.1	-60.6	0	0	0	112.6	L22 F432 F433 T434 L438 L451 R454 V463 M467	L22-Y436 HydrophobicContact CD2-CD2 4.11Å; L22-Y436 HydrophobicContact CD2-CE1 4.15Å; L22-Y436 HydrophobicContact CD2-CE2 3.28Å; L22-Y436 WeakPolarHBondContact CD2-OH 3.41Å; L22-Y436 PolarHBondContact O-OH 3.08Å; F432-Y436 HydrophobicContact CD1-CD2 4.17Å; F432-Y436 HydrophobicContact CD1-CE2 4.21Å; F432-Y436 HydrophobicContact CD2-CE2 4.49Å; F432-Y436 HydrophobicContact CE1-CD2 4.24Å; F432-Y436 HydrophobicContact CE1-CE2 4.32Å; F432-Y436 HydrophobicContact CG-CE2 4.29Å; F432-Y436 WeakPolarHBondContact O-CD2 3.05Å; F432-Y436 WeakPolarHBondContact O-CE2 3.21Å; F433-Y436 PolarHBondContact O-N 2.88Å; F433-Y436 VanDerWaalsContact O-N 3.1Å; T434-Y436 VanDerWaalsContact C-N 3.26Å; T434-Y436 PolarHBondContact O-N 3.22Å; Y436-L438 VanDerWaalsContact C-N 3.25Å; Y436-L438 PolarHBondContact O-N 3.28Å; Y436-L451 HydrophobicContact CD2-CD1 4.4Å; Y436-R454 PolarHBondContact O-NH1 2.94Å; Y436-V463 HydrophobicContact CD1-CB 4.43Å; Y436-V463 HydrophobicContact CD1-CG1 3.75Å; Y436-V463 HydrophobicContact CD1-CG2 3.89Å; Y436-V463 HydrophobicContact CE1-CG1 4.11Å; Y436-V463 HydrophobicContact CG-CG1 4.38Å; Y436-V463 HydrophobicContact CG-CG2 4.14Å; Y436-M467 HydrophobicContact CE1-CG 3.82Å; Y436-M467 HydrophobicContact CE1-SD 4.25Å
437	G	60.4	Low	61.9	Low	51 Å²	51	56.8 Å²	56.8	53%	0.526	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	26	-179.4	0	0	0	0	0	113.4	F433 T434 R454	F433-G437 PolarHBondContact O-N 2.93Å; T434-G437 PolarHBondContact O-N 2.85Å; T434-G437 VanDerWaalsContact O-N 3.15Å; G437-R454 PolarHBondContact O-NH1 3.5Å
438	L	63.2	Low	62.1	Low	5 Å²	5	51.8 Å²	51.8	3%	0.026	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-102.1	125.2	179	-53.2	179.3	0	0	0	109.6	F433 T434 Y436 E450 L451	F433-L438 CarbonylContact C-O 3.56Å; F433-L438 HydrophobicContact CB-CB 4.05Å; F433-L438 HydrophobicContact CD1-CB 3.75Å; F433-L438 HydrophobicContact CD1-CD1 3.56Å; F433-L438 HydrophobicContact CD1-CG 4.3Å; F433-L438 HydrophobicContact CE1-CD1 3.88Å; F433-L438 HydrophobicContact CG-CB 4.38Å; F433-L438 HydrophobicContact CG-CD1 4.48Å; F433-L438 WeakPolarHBondContact O-CA 3.5Å; F433-L438 WeakPolarHBondContact O-CB 3.35Å; F433-L438 PolarHBondContact O-N 3.18Å; T434-L438 PolarHBondContact N-O 3.48Å; Y436-L438 VanDerWaalsContact C-N 3.25Å; Y436-L438 PolarHBondContact O-N 3.28Å; L438-E450 HydrophobicContact CD2-CB 4.3Å; L438-E450 HydrophobicContact CD2-CG 3.41Å; L438-E450 VanDerWaalsContact CD2-CG 3.41Å; L438-L451 HydrophobicContact CD1-CB 3.82Å; L438-L451 HydrophobicContact CD1-CD1 3.72Å; L438-L451 HydrophobicContact CD1-CG 4.38Å
439	T	59.4	Low	62	Low	118 Å²	118	50.8 Å²	50.8	72%	0.724	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-82	135.1	168.2	43.6	0	0	0	0	109.6
440	I	63.5	Low	61.8	Low	66 Å²	66	52.5 Å²	52.5	34%	0.338	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-72.8	128.6	164.3	-61.4	-176	0	0	0	106.5	I429 F433 L446	I429-I440 HydrophobicContact CG2-CD1 4.41Å; F433-I440 HydrophobicContact CB-CG1 4.11Å; F433-I440 HydrophobicContact CG-CG1 4.49Å; I440-L446 HydrophobicContact CB-CD2 4.45Å; I440-L446 HydrophobicContact CD1-CD2 3.64Å; I440-L446 HydrophobicContact CG1-CD2 3.67Å; I440-L446 HydrophobicContact CG2-CD2 4.11Å
441	T	62.1	Low	62	Low	49 Å²	49	51.8 Å²	51.8	30%	0.301	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-62.7	149.1	179.2	-47.2	0	0	0	0	109.9	Y406 K443 G444 L445	Y406-T441 WeakPolarHBondContact CE1-OG1 3.16Å; T441-K443 PolarHBondContact O-N 3.46Å; T441-G444 PolarHBondContact O-N 2.96Å; T441-L445 PolarHBondContact N-O 3.01Å; T441-L445 VanDerWaalsContact N-O 3.12Å
442	S	56.8	Low	62.1	Low	128 Å²	128	50.6 Å²	50.6	90%	0.895	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-22.2	179.9	51.7	0	0	0	0	115	G444	S442-G444 VanDerWaalsContact C-N 3.32Å
443	K	56.1	Low	62	Low	174 Å²	174	56.2 Å²	56.2	76%	0.757	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	7.6	173.2	-61.2	-169.8	175.3	-169.6	0	115	T441 L445	T441-K443 PolarHBondContact O-N 3.46Å; K443-L445 VanDerWaalsContact C-N 3.26Å; K443-L445 HydrophobicContact CB-CD1 4.12Å; K443-L445 HydrophobicContact CB-CG 4.28Å; K443-L445 PolarHBondContact O-N 2.71Å
444	G	60.3	Low	61.4	Low	35 Å²	35	59.8 Å²	59.8	36%	0.361	33%	0.326	S	S	.	.	S	Bend	trans	76	8	-176.6	0	0	0	0	0	115.1	T441 S442	T441-G444 PolarHBondContact O-N 2.96Å; S442-G444 VanDerWaalsContact C-N 3.32Å
445	L	63.3	Low	61	Low	20 Å²	20	56.3 Å²	56.3	11%	0.105	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	136.5	179.2	-67.5	165.8	0	0	0	111.3	L402 P403 Y406 N408 T441 K443	L402-L445 HydrophobicContact CD2-CD2 4.07Å; L402-L445 HydrophobicContact CG-CD2 4.03Å; P403-L445 HydrophobicContact CG-CD1 4.48Å; Y406-L445 HydrophobicContact CD1-CB 3.88Å; Y406-L445 HydrophobicContact CG-CB 4.46Å; N408-L445 WeakPolarHBondContact OD1-CD2 3.18Å; T441-L445 PolarHBondContact N-O 3.01Å; T441-L445 VanDerWaalsContact N-O 3.12Å; K443-L445 VanDerWaalsContact C-N 3.26Å; K443-L445 HydrophobicContact CB-CD1 4.12Å; K443-L445 HydrophobicContact CB-CG 4.28Å; K443-L445 PolarHBondContact O-N 2.71Å
446	L	66.2	Low	60.8	Low	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.8	177.7	-57.9	-179.2	0	0	0	110.4	Y406 T407 F412 I429 F433 I440 Y448	Y406-L446 CarbonylContact C-O 3.59Å; Y406-L446 VanDerWaalsContact CA-O 3.32Å; Y406-L446 WeakPolarHBondContact CA-O 3.38Å; T407-L446 PolarHBondContact N-O 2.94Å; T407-L446 WeakPolarHBondContact O-CB 3.34Å; T407-L446 PolarHBondContact O-N 3.48Å; T407-L446 PolarHBondContact OG1-O 2.97Å; F412-L446 HydrophobicContact CB-CD1 3.76Å; F412-L446 HydrophobicContact CD1-CD1 4.04Å; F412-L446 HydrophobicContact CG-CD1 3.93Å; I429-L446 HydrophobicContact CG2-CD1 3.69Å; I429-L446 HydrophobicContact CG2-CD2 3.78Å; I429-L446 HydrophobicContact CG2-CG 4.41Å; F433-L446 HydrophobicContact CD2-CD2 4.02Å; F433-L446 HydrophobicContact CE1-CB 4.01Å; F433-L446 HydrophobicContact CE2-CB 4.28Å; F433-L446 HydrophobicContact CE2-CD1 3.86Å; F433-L446 HydrophobicContact CE2-CD2 4.01Å; F433-L446 HydrophobicContact CE2-CG 4.29Å; F433-L446 HydrophobicContact CG-CD2 4.31Å; F433-L446 HydrophobicContact CZ-CB 3.77Å; F433-L446 HydrophobicContact CZ-CD1 4.1Å; F433-L446 HydrophobicContact CZ-CD2 4.27Å; F433-L446 HydrophobicContact CZ-CG 4.28Å; I440-L446 HydrophobicContact CB-CD2 4.45Å; I440-L446 HydrophobicContact CD1-CD2 3.64Å; I440-L446 HydrophobicContact CG1-CD2 3.67Å; I440-L446 HydrophobicContact CG2-CD2 4.11Å; L446-Y448 PolarHBondContact O-N 2.86Å
447	P	67.7	Low	60.6	Low	11 Å²	11	56.9 Å²	56.9	7%	0.071	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	85.5	179.5	31.8	-35.5	0	0	0	111	G405 Y406 F433 A449 E450 L451	G405-P447 CarbonylContact O-C 3.5Å; G405-P447 WeakPolarHBondContact O-CA 3.26Å; Y406-P447 HydrophobicContact CD1-CB 3.96Å; Y406-P447 HydrophobicContact CE1-CB 3.68Å; Y406-P447 HydrophobicContact CE1-CG 4.45Å; F433-P447 HydrophobicContact CE1-CG 4.45Å; P447-A449 VanDerWaalsContact C-N 3.32Å; P447-E450 HydrophobicContact CB-CB 3.99Å; P447-E450 HydrophobicContact CG-CB 4.48Å; P447-E450 PolarHBondContact O-N 3.09Å; P447-L451 PolarHBondContact O-N 3.25Å
448	Y	63.9	Low	60.1	Low	49 Å²	49	56 Å²	56	19%	0.192	29%	0.293	C	S	.	.	H	α-helix	trans	-69.9	-29.5	178.9	81.6	-88.3	0	0	0	112.4	I376 G405 Y406 T407 L446 L451 L452	I376-Y448 HydrophobicContact CG2-CD2 4.24Å; I376-Y448 HydrophobicContact CG2-CE2 4.43Å; G405-Y448 VanDerWaalsContact CA-CE1 3.41Å; G405-Y448 WeakPolarHBondContact O-CD1 3.34Å; G405-Y448 PolarHBondContact O-N 2.75Å; Y406-Y448 WeakPolarHBondContact O-CE1 3.46Å; T407-Y448 HydrophobicContact CG2-CD1 3.58Å; T407-Y448 HydrophobicContact CG2-CE1 3.97Å; T407-Y448 HydrophobicContact CG2-CG 4.24Å; L446-Y448 PolarHBondContact O-N 2.86Å; Y448-L451 PolarHBondContact O-N 3.43Å; Y448-L452 HydrophobicContact CD2-CD1 3.91Å; Y448-L452 HydrophobicContact CE2-CD1 4.32Å; Y448-L452 WeakPolarHBondContact O-CB 3.45Å; Y448-L452 WeakPolarHBondContact O-CG 3.45Å; Y448-L452 PolarHBondContact O-N 3.11Å
449	A	60.8	Low	59.6	Low	32 Å²	32	58.9 Å²	58.9	26%	0.264	31%	0.311	S	S	.	.	H	α-helix	trans	-67.2	-41.1	174	0	0	0	0	0	111.6	G405 P447 L452 R453 L549	G405-A449 PolarHBondContact O-N 2.72Å; P447-A449 VanDerWaalsContact C-N 3.32Å; A449-L452 PolarHBondContact O-N 3.34Å; A449-R453 WeakPolarHBondContact O-CB 3.24Å; A449-R453 PolarHBondContact O-N 3.07Å; A449-L549 HydrophobicContact CB-CD1 4.34Å
450	E	61.2	Low	59.2	Low	40 Å²	40	60.2 Å²	60.2	19%	0.187	31%	0.309	C	S	.	.	H	α-helix	trans	-68.4	-36.8	175	179.4	65.2	172.5	0	0	111.4	L438 P447 R453 R454	L438-E450 HydrophobicContact CD2-CB 4.3Å; L438-E450 HydrophobicContact CD2-CG 3.41Å; L438-E450 VanDerWaalsContact CD2-CG 3.41Å; P447-E450 HydrophobicContact CB-CB 3.99Å; P447-E450 HydrophobicContact CG-CB 4.48Å; P447-E450 PolarHBondContact O-N 3.09Å; E450-R453 VanDerWaalsContact CD-NH2 3.32Å; E450-R453 PolarHBondContact O-N 3.28Å; E450-R453 IonicContact OE1-NH2 2.76Å; E450-R453 PolarHBondContact OE1-NH2 3.46Å; E450-R453 IonicContact OE2-CZ 3.56Å; E450-R453 IonicContact OE2-NE 3.77Å; E450-R453 PolarHBondContact OE2-NE 2.87Å; E450-R453 IonicContact OE2-NH2 3.73Å; E450-R453 PolarHBondContact OE2-NH2 3.26Å; E450-R454 WeakPolarHBondContact O-CG 3.49Å; E450-R454 PolarHBondContact O-N 2.72Å; E450-R454 IonicContact OE1-CZ 3.68Å; E450-R454 VanDerWaalsContact OE1-CZ 3.24Å; E450-R454 IonicContact OE1-NE 3.59Å; E450-R454 PolarHBondContact OE1-NE 2.67Å; E450-R454 IonicContact OE1-NH2 2.69Å; E450-R454 PolarHBondContact OE1-NH2 3.31Å
451	L	64.3	Low	58.6	Low	13 Å²	13	60 Å²	60	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-57.5	-49.4	170.5	-177.7	68.6	0	0	0	110.9	F412 F432 F433 Y436 L438 P447 Y448 R454 F455	F412-L451 HydrophobicContact CE2-CD2 4.17Å; F412-L451 HydrophobicContact CZ-CD2 4.16Å; F432-L451 HydrophobicContact CE1-CD1 3.96Å; F432-L451 HydrophobicContact CE1-CD2 3.83Å; F432-L451 HydrophobicContact CZ-CD2 4.22Å; F433-L451 HydrophobicContact CE1-CB 4.46Å; F433-L451 HydrophobicContact CE1-CD2 4.47Å; F433-L451 HydrophobicContact CZ-CD2 4.11Å; Y436-L451 HydrophobicContact CD2-CD1 4.4Å; L438-L451 HydrophobicContact CD1-CB 3.82Å; L438-L451 HydrophobicContact CD1-CD1 3.72Å; L438-L451 HydrophobicContact CD1-CG 4.38Å; P447-L451 PolarHBondContact O-N 3.25Å; Y448-L451 PolarHBondContact O-N 3.43Å; L451-R454 PolarHBondContact O-N 2.97Å; L451-F455 HydrophobicContact CD1-CD2 4.17Å; L451-F455 HydrophobicContact CD1-CE2 4.04Å; L451-F455 HydrophobicContact CG-CD2 4.16Å; L451-F455 HydrophobicContact CG-CE2 4.3Å; L451-F455 WeakPolarHBondContact O-CB 3.32Å; L451-F455 WeakPolarHBondContact O-CD2 3.37Å; L451-F455 PolarHBondContact O-N 3.39Å
452	L	62.9	Low	58.2	Low	29 Å²	29	57.7 Å²	57.7	15%	0.152	30%	0.303	C	S	.	.	H	α-helix	trans	-64.6	-40.7	177	-71.9	172.2	0	0	0	112.3	I376 Y448 A449 F455 Q456	I376-L452 HydrophobicContact CD1-CD1 4.46Å; I376-L452 HydrophobicContact CD1-CD2 4.21Å; Y448-L452 HydrophobicContact CD2-CD1 3.91Å; Y448-L452 HydrophobicContact CE2-CD1 4.32Å; Y448-L452 WeakPolarHBondContact O-CB 3.45Å; Y448-L452 WeakPolarHBondContact O-CG 3.45Å; Y448-L452 PolarHBondContact O-N 3.11Å; A449-L452 PolarHBondContact O-N 3.34Å; L452-F455 CarbonylContact O-C 3.59Å; L452-F455 WeakPolarHBondContact O-CA 3.39Å; L452-F455 WeakPolarHBondContact O-CB 3.49Å; L452-F455 PolarHBondContact O-N 2.76Å; L452-F455 VanDerWaalsContact O-N 3.1Å; L452-Q456 PolarHBondContact O-N 3Å
453	R	61.1	Low	58.1	Low	126 Å²	126	51.6 Å²	51.6	48%	0.475	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-44	177.2	-167.2	179.8	71	133.8	5.6	111.3	A449 E450 F455 Q456 D457 E550	A449-R453 WeakPolarHBondContact O-CB 3.24Å; A449-R453 PolarHBondContact O-N 3.07Å; E450-R453 VanDerWaalsContact CD-NH2 3.32Å; E450-R453 PolarHBondContact O-N 3.28Å; E450-R453 IonicContact OE1-NH2 2.76Å; E450-R453 PolarHBondContact OE1-NH2 3.46Å; E450-R453 IonicContact OE2-CZ 3.56Å; E450-R453 IonicContact OE2-NE 3.77Å; E450-R453 PolarHBondContact OE2-NE 2.87Å; E450-R453 IonicContact OE2-NH2 3.73Å; E450-R453 PolarHBondContact OE2-NH2 3.26Å; R453-F455 VanDerWaalsContact C-N 3.29Å; R453-F455 PolarHBondContact O-N 2.93Å; R453-Q456 WeakPolarHBondContact O-CB 3.44Å; R453-Q456 PolarHBondContact O-N 2.88Å; R453-Q456 VanDerWaalsContact O-N 3.14Å; R453-D457 PolarHBondContact O-N 3.06Å; R453-E550 IonicContact NH1-OE1 2.85Å
454	R	55.4	Low	58	Low	74 Å²	74	45.3 Å²	45.3	28%	0.279	24%	0.235	S	C	.	.	H	α-helix	trans	-72.3	-20.3	174	-62.3	-169.3	-170.6	-179.3	2.9	113.6	Y436 G437 E450 L451 V463	Y436-R454 PolarHBondContact O-NH1 2.94Å; G437-R454 PolarHBondContact O-NH1 3.5Å; E450-R454 WeakPolarHBondContact O-CG 3.49Å; E450-R454 PolarHBondContact O-N 2.72Å; E450-R454 IonicContact OE1-CZ 3.68Å; E450-R454 VanDerWaalsContact OE1-CZ 3.24Å; E450-R454 IonicContact OE1-NE 3.59Å; E450-R454 PolarHBondContact OE1-NE 2.67Å; E450-R454 IonicContact OE1-NH2 2.69Å; E450-R454 PolarHBondContact OE1-NH2 3.31Å; L451-R454 PolarHBondContact O-N 2.97Å; R454-V463 HydrophobicContact CB-CB 4.4Å; R454-V463 HydrophobicContact CB-CG2 3.6Å; R454-V463 WeakPolarHBondContact O-CB 3.4Å; R454-V463 PolarHBondContact O-N 2.8Å
455	F	56.5	Low	57.6	Low	29 Å²	29	45.3 Å²	45.3	13%	0.127	23%	0.225	C	C	.	.	H	α-helix	trans	-76.6	-26.9	166.6	-99.2	-73	0	0	0	113.3	I18 L22 L451 L452 R453 V463 L464 M467	I18-F455 HydrophobicContact CG2-CE1 3.99Å; I18-F455 HydrophobicContact CG2-CZ 4.01Å; L22-F455 HydrophobicContact CD1-CE2 4.21Å; L22-F455 HydrophobicContact CD1-CZ 3.89Å; L22-F455 HydrophobicContact CD2-CE2 4.07Å; L22-F455 HydrophobicContact CD2-CZ 3.8Å; L22-F455 HydrophobicContact CG-CZ 4.04Å; L451-F455 HydrophobicContact CD1-CD2 4.17Å; L451-F455 HydrophobicContact CD1-CE2 4.04Å; L451-F455 HydrophobicContact CG-CD2 4.16Å; L451-F455 HydrophobicContact CG-CE2 4.3Å; L451-F455 WeakPolarHBondContact O-CB 3.32Å; L451-F455 WeakPolarHBondContact O-CD2 3.37Å; L451-F455 PolarHBondContact O-N 3.39Å; L452-F455 CarbonylContact O-C 3.59Å; L452-F455 WeakPolarHBondContact O-CA 3.39Å; L452-F455 WeakPolarHBondContact O-CB 3.49Å; L452-F455 PolarHBondContact O-N 2.76Å; L452-F455 VanDerWaalsContact O-N 3.1Å; R453-F455 VanDerWaalsContact C-N 3.29Å; R453-F455 PolarHBondContact O-N 2.93Å; F455-V463 HydrophobicContact CD1-CG1 3.99Å; F455-V463 HydrophobicContact CD2-CB 4.5Å; F455-V463 HydrophobicContact CD2-CG1 3.96Å; F455-V463 HydrophobicContact CE1-CG1 3.77Å; F455-V463 HydrophobicContact CE2-CG1 3.74Å; F455-V463 HydrophobicContact CG-CB 4.41Å; F455-V463 HydrophobicContact CG-CG1 4.09Å; F455-V463 HydrophobicContact CZ-CG1 3.64Å; F455-L464 HydrophobicContact CD1-CG 4.31Å; F455-L464 WeakPolarHBondContact O-CD1 3.33Å; F455-M467 HydrophobicContact CE1-SD 3.63Å; F455-M467 HydrophobicContact CZ-SD 3.5Å; F455-M467 VanDerWaalsContact CZ-SD 3.5Å
456	Q	54	Low	57.1	Low	95 Å²	95	48 Å²	48	44%	0.444	24%	0.238	S	C	.	.	H	α-helix	trans	-73	-33.8	168.1	-68.4	179.3	-59.7	0	0	111.6	Y369 L452 R453 R458	Y369-Q456 HydrophobicContact CE1-CG 4.16Å; Y369-Q456 HydrophobicContact CE2-CG 3.68Å; Y369-Q456 VanDerWaalsContact CZ-CG 3.44Å; Y369-Q456 VanDerWaalsContact OH-CG 3.28Å; Y369-Q456 WeakPolarHBondContact OH-CG 3.41Å; Y369-Q456 PolarHBondContact OH-NE2 2.89Å; L452-Q456 PolarHBondContact O-N 3Å; R453-Q456 WeakPolarHBondContact O-CB 3.44Å; R453-Q456 PolarHBondContact O-N 2.88Å; R453-Q456 VanDerWaalsContact O-N 3.14Å; Q456-R458 PolarHBondContact O-N 3.15Å
457	D	52.6	Low	56.4	Low	49 Å²	49	48.7 Å²	48.7	26%	0.262	24%	0.241	S	C	.	.			trans	-62.9	126.1	173.7	-172	6.4	0	0	0	111.1	R453 T459 G462	R453-D457 PolarHBondContact O-N 3.06Å; D457-T459 VanDerWaalsContact CG-OG1 3.3Å; D457-T459 VanDerWaalsContact OD1-CB 3.28Å; D457-T459 WeakPolarHBondContact OD1-CB 3.32Å; D457-T459 VanDerWaalsContact OD1-CG2 3.3Å; D457-T459 WeakPolarHBondContact OD1-CG2 3.4Å; D457-T459 PolarHBondContact OD1-N 3.47Å; D457-T459 PolarHBondContact OD1-OG1 2.97Å; D457-T459 PolarHBondContact OD2-OG1 3.08Å; D457-T459 VanDerWaalsContact OD2-OG1 3.1Å; D457-G462 VanDerWaalsContact CG-CA 3.46Å; D457-G462 WeakPolarHBondContact O-CA 3.34Å; D457-G462 WeakPolarHBondContact OD2-CA 3.39Å; D457-G462 PolarHBondContact OD2-N 2.89Å
458	R	51.1	Low	55.6	Low	33 Å²	33	49.2 Å²	49.2	13%	0.125	24%	0.243	C	C	.	.			trans	-125.3	16.5	173.7	-48.7	-179.4	-179.6	130.9	-8.4	112.6	Q456 L464 F538 N539	Q456-R458 PolarHBondContact O-N 3.15Å; R458-L464 HydrophobicContact CG-CB 4.29Å; R458-L464 HydrophobicContact CG-CD1 3.83Å; R458-F538 PolarHBondContact NH1-O 3.44Å; R458-N539 WeakPolarHBondContact CB-OD1 3.48Å; R458-N539 WeakPolarHBondContact CD-OD1 3.46Å
459	T	52.1	Low	55	Low	65 Å²	65	48.2 Å²	48.2	40%	0.399	24%	0.242	S	C	.	.	S	Bend	trans	-67.8	176.8	160.1	71.2	0	0	0	0	109.7	D457 A461 G462 H465	D457-T459 VanDerWaalsContact CG-OG1 3.3Å; D457-T459 VanDerWaalsContact OD1-CB 3.28Å; D457-T459 WeakPolarHBondContact OD1-CB 3.32Å; D457-T459 VanDerWaalsContact OD1-CG2 3.3Å; D457-T459 WeakPolarHBondContact OD1-CG2 3.4Å; D457-T459 PolarHBondContact OD1-N 3.47Å; D457-T459 PolarHBondContact OD1-OG1 2.97Å; D457-T459 PolarHBondContact OD2-OG1 3.08Å; D457-T459 VanDerWaalsContact OD2-OG1 3.1Å; T459-A461 PolarHBondContact O-N 3.11Å; T459-A461 PolarHBondContact OG1-N 3.25Å; T459-G462 PolarHBondContact O-N 3.2Å; T459-H465 WeakPolarHBondContact O-CB 3.44Å
460	E	50.9	Low	54.4	Low	146 Å²	146	51 Å²	51	68%	0.682	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.7	176.4	-62.5	175.6	-177.5	0	0	113
461	A	50.4	Low	53.8	Low	62 Å²	62	50.9 Å²	50.9	51%	0.512	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.8	172.7	0	0	0	0	0	113.5	T459 Q466	T459-A461 PolarHBondContact O-N 3.11Å; T459-A461 PolarHBondContact OG1-N 3.25Å; A461-Q466 PolarHBondContact O-NE2 3.04Å
462	G	54.9	Low	52.9	Low	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-73.8	147	-172.2	0	0	0	0	0	114.3	D457 T459 L464 H465 Q466	D457-G462 VanDerWaalsContact CG-CA 3.46Å; D457-G462 WeakPolarHBondContact O-CA 3.34Å; D457-G462 WeakPolarHBondContact OD2-CA 3.39Å; D457-G462 PolarHBondContact OD2-N 2.89Å; T459-G462 PolarHBondContact O-N 3.2Å; G462-L464 VanDerWaalsContact C-N 3.27Å; G462-L464 PolarHBondContact O-N 2.81Å; G462-H465 PolarHBondContact O-N 2.91Å; G462-H465 VanDerWaalsContact O-N 3.08Å; G462-Q466 WeakPolarHBondContact O-CG 3.48Å; G462-Q466 PolarHBondContact O-N 3.41Å
463	V	54.4	Low	51.9	Low	1 Å²	1	56 Å²	56	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-36.4	-178.8	168.3	0	0	0	0	111	Y436 R454 F455 H465 Q466 M467	Y436-V463 HydrophobicContact CD1-CB 4.43Å; Y436-V463 HydrophobicContact CD1-CG1 3.75Å; Y436-V463 HydrophobicContact CD1-CG2 3.89Å; Y436-V463 HydrophobicContact CE1-CG1 4.11Å; Y436-V463 HydrophobicContact CG-CG1 4.38Å; Y436-V463 HydrophobicContact CG-CG2 4.14Å; R454-V463 HydrophobicContact CB-CB 4.4Å; R454-V463 HydrophobicContact CB-CG2 3.6Å; R454-V463 WeakPolarHBondContact O-CB 3.4Å; R454-V463 PolarHBondContact O-N 2.8Å; F455-V463 HydrophobicContact CD1-CG1 3.99Å; F455-V463 HydrophobicContact CD2-CB 4.5Å; F455-V463 HydrophobicContact CD2-CG1 3.96Å; F455-V463 HydrophobicContact CE1-CG1 3.77Å; F455-V463 HydrophobicContact CE2-CG1 3.74Å; F455-V463 HydrophobicContact CG-CB 4.41Å; F455-V463 HydrophobicContact CG-CG1 4.09Å; F455-V463 HydrophobicContact CZ-CG1 3.64Å; V463-H465 PolarHBondContact O-N 3.33Å; V463-Q466 PolarHBondContact O-N 2.8Å; V463-M467 HydrophobicContact CG1-CG 3.83Å; V463-M467 HydrophobicContact CG1-SD 3.53Å; V463-M467 VanDerWaalsContact CG1-SD 3.53Å; V463-M467 WeakPolarHBondContact O-CB 2.92Å; V463-M467 WeakPolarHBondContact O-CG 3.17Å; V463-M467 PolarHBondContact O-N 3.42Å
464	L	53.4	Low	51.2	Low	41 Å²	41	55 Å²	55	22%	0.215	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-43.9	175	-88.8	173.2	0	0	0	112.3	F455 R458 G462 L468	F455-L464 HydrophobicContact CD1-CG 4.31Å; F455-L464 WeakPolarHBondContact O-CD1 3.33Å; R458-L464 HydrophobicContact CG-CB 4.29Å; R458-L464 HydrophobicContact CG-CD1 3.83Å; G462-L464 VanDerWaalsContact C-N 3.27Å; G462-L464 PolarHBondContact O-N 2.81Å; L464-L468 WeakPolarHBondContact O-CB 3.43Å; L464-L468 VanDerWaalsContact O-CD1 3.3Å; L464-L468 WeakPolarHBondContact O-CD1 3.45Å; L464-L468 WeakPolarHBondContact O-CG 3.22Å; L464-L468 PolarHBondContact O-N 3.32Å
465	H	51.8	Low	50.3	Low	35 Å²	35	62.3 Å²	62.3	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-49.7	176.4	-177.5	96.8	0	0	0	110.7	T459 G462 V463 M467 L468 T469	T459-H465 WeakPolarHBondContact O-CB 3.44Å; G462-H465 PolarHBondContact O-N 2.91Å; G462-H465 VanDerWaalsContact O-N 3.08Å; V463-H465 PolarHBondContact O-N 3.33Å; H465-M467 VanDerWaalsContact C-N 3.34Å; H465-M467 PolarHBondContact O-N 2.65Å; H465-L468 PolarHBondContact O-N 3.42Å; H465-T469 PolarHBondContact NE2-OG1 3.04Å; H465-T469 WeakPolarHBondContact O-CB 3.44Å; H465-T469 PolarHBondContact O-N 3.14Å; H465-T469 PolarHBondContact O-OG1 3.04Å; H465-T469 VanDerWaalsContact O-OG1 3.1Å
466	Q	54.4	Low	49.1	Very low	78 Å²	78	71.1 Å²	71.1	36%	0.364	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-41.7	179.7	-67.4	-179.8	9.5	0	0	112.5	A461 G462 V463 Y470	A461-Q466 PolarHBondContact O-NE2 3.04Å; G462-Q466 WeakPolarHBondContact O-CG 3.48Å; G462-Q466 PolarHBondContact O-N 3.41Å; V463-Q466 PolarHBondContact O-N 2.8Å; Q466-Y470 WeakPolarHBondContact O-CB 3.32Å; Q466-Y470 PolarHBondContact O-N 2.85Å
467	M	50.7	Low	47.9	Very low	14 Å²	14	69.8 Å²	69.8	7%	0.069	35%	0.354	C	S	.	.	H	α-helix	trans	-69.8	-37.9	178.9	-74.8	-173.9	78.4	0	0	113.3	C21 L22 Y436 F455 V463 H465 Y470 S471	C21-M467 HydrophobicContact CB-CE 3.42Å; C21-M467 VanDerWaalsContact CB-CE 3.42Å; C21-M467 WeakPolarHBondContact O-CE 3.36Å; L22-M467 HydrophobicContact CB-CE 4.2Å; L22-M467 HydrophobicContact CD2-CE 3.84Å; L22-M467 HydrophobicContact CD2-SD 3.9Å; L22-M467 HydrophobicContact CG-CE 3.62Å; L22-M467 HydrophobicContact CG-SD 4.19Å; Y436-M467 HydrophobicContact CE1-CG 3.82Å; Y436-M467 HydrophobicContact CE1-SD 4.25Å; F455-M467 HydrophobicContact CE1-SD 3.63Å; F455-M467 HydrophobicContact CZ-SD 3.5Å; F455-M467 VanDerWaalsContact CZ-SD 3.5Å; V463-M467 HydrophobicContact CG1-CG 3.83Å; V463-M467 HydrophobicContact CG1-SD 3.53Å; V463-M467 VanDerWaalsContact CG1-SD 3.53Å; V463-M467 WeakPolarHBondContact O-CB 2.92Å; V463-M467 WeakPolarHBondContact O-CG 3.17Å; V463-M467 PolarHBondContact O-N 3.42Å; H465-M467 VanDerWaalsContact C-N 3.34Å; H465-M467 PolarHBondContact O-N 2.65Å; M467-Y470 PolarHBondContact O-N 3.41Å; M467-S471 VanDerWaalsContact O-CB 3.31Å; M467-S471 WeakPolarHBondContact O-CB 3.47Å; M467-S471 PolarHBondContact O-N 2.86Å; M467-S471 PolarHBondContact O-OG 3.3Å
468	L	51.7	Low	46.8	Very low	22 Å²	22	72.7 Å²	72.7	12%	0.115	38%	0.379	C	S	.	.	H	α-helix	trans	-71.2	-43.6	177.6	-70.7	164.1	0	0	0	110.5	L464 H465 Y470 S471 L472 Y531 M535	L464-L468 WeakPolarHBondContact O-CB 3.43Å; L464-L468 VanDerWaalsContact O-CD1 3.3Å; L464-L468 WeakPolarHBondContact O-CD1 3.45Å; L464-L468 WeakPolarHBondContact O-CG 3.22Å; L464-L468 PolarHBondContact O-N 3.32Å; H465-L468 PolarHBondContact O-N 3.42Å; L468-Y470 PolarHBondContact O-N 3.12Å; L468-S471 WeakPolarHBondContact O-CB 3.3Å; L468-S471 PolarHBondContact O-N 3.35Å; L468-L472 VanDerWaalsContact O-CG 3.3Å; L468-L472 WeakPolarHBondContact O-CG 3.27Å; L468-L472 PolarHBondContact O-N 3.4Å; L468-Y531 HydrophobicContact CD1-CE1 3.77Å; L468-Y531 WeakPolarHBondContact CD1-OH 3.34Å; L468-M535 HydrophobicContact CD1-CE 4.09Å
469	T	50.8	Low	45.7	Very low	29 Å²	29	79.8 Å²	79.8	18%	0.178	41%	0.411	C	S	.	.	H	α-helix	trans	-60.5	-41.8	171.1	-61.8	0	0	0	0	111.6	H465 S471 L472 I473	H465-T469 PolarHBondContact NE2-OG1 3.04Å; H465-T469 WeakPolarHBondContact O-CB 3.44Å; H465-T469 PolarHBondContact O-N 3.14Å; H465-T469 PolarHBondContact O-OG1 3.04Å; H465-T469 VanDerWaalsContact O-OG1 3.1Å; T469-S471 PolarHBondContact O-N 3.31Å; T469-L472 PolarHBondContact O-N 3.23Å; T469-I473 HydrophobicContact CG2-CD1 3.8Å; T469-I473 WeakPolarHBondContact O-CD1 3.38Å; T469-I473 VanDerWaalsContact O-CG1 3.24Å; T469-I473 WeakPolarHBondContact O-CG1 3.35Å; T469-I473 PolarHBondContact O-N 3.13Å
470	Y	48.2	Very low	44.7	Very low	90 Å²	90	83 Å²	83	35%	0.353	43%	0.426	S	S	.	.	H	α-helix	trans	-64.4	-37.9	174.1	-163.6	-99.2	0	0	0	112.4	R435 Q466 M467 L468 I473 H474	R435-Y470 PolarHBondContact NH1-OH 2.79Å; Q466-Y470 WeakPolarHBondContact O-CB 3.32Å; Q466-Y470 PolarHBondContact O-N 2.85Å; M467-Y470 PolarHBondContact O-N 3.41Å; L468-Y470 PolarHBondContact O-N 3.12Å; Y470-I473 PolarHBondContact O-N 3.49Å; Y470-H474 HydrophobicContact CD1-CB 4.46Å; Y470-H474 AromaticContact CD1-CD2 3.95Å; Y470-H474 AromaticContact CD2-CD2 3.37Å; Y470-H474 WeakPolarHBondContact CD2-CD2 3.43Å; Y470-H474 AromaticContact CD2-NE2 3.77Å; Y470-H474 HydrophobicContact CE1-CB 4.24Å; Y470-H474 AromaticContact CE1-CD2 3.78Å; Y470-H474 AromaticContact CE2-CD2 3.15Å; Y470-H474 WeakPolarHBondContact CE2-CD2 3.4Å; Y470-H474 AromaticContact CE2-NE2 3.26Å; Y470-H474 VanDerWaalsContact CE2-NE2 3.26Å; Y470-H474 WeakPolarHBondContact CE2-NE2 3.37Å; Y470-H474 AromaticContact CG-CD2 3.76Å; Y470-H474 AromaticContact CZ-CD2 3.37Å; Y470-H474 AromaticContact CZ-CG 3.9Å; Y470-H474 AromaticContact CZ-NE2 3.72Å; Y470-H474 WeakPolarHBondContact O-CB 3.45Å; Y470-H474 PolarHBondContact O-N 3.03Å
471	S	48.5	Very low	43.5	Very low	38 Å²	38	85.5 Å²	85.5	27%	0.266	44%	0.437	S	S	.	.	H	α-helix	trans	-68.2	-35.2	176.9	-59.3	0	0	0	0	112.6	M467 L468 T469	M467-S471 VanDerWaalsContact O-CB 3.31Å; M467-S471 WeakPolarHBondContact O-CB 3.47Å; M467-S471 PolarHBondContact O-N 2.86Å; M467-S471 PolarHBondContact O-OG 3.3Å; L468-S471 WeakPolarHBondContact O-CB 3.3Å; L468-S471 PolarHBondContact O-N 3.35Å; T469-S471 PolarHBondContact O-N 3.31Å
472	L	45	Very low	42.7	Very low	67 Å²	67	89 Å²	89	35%	0.351	44%	0.443	S	S	.	.	H	α-helix	trans	-69.7	-32.3	173.3	-71.2	165.3	0	0	0	112.3	L468 T469	L468-L472 VanDerWaalsContact O-CG 3.3Å; L468-L472 WeakPolarHBondContact O-CG 3.27Å; L468-L472 PolarHBondContact O-N 3.4Å; T469-L472 PolarHBondContact O-N 3.23Å
473	I	42.5	Very low	41.6	Very low	81 Å²	81	95.8 Å²	95.8	42%	0.415	48%	0.479	S	S	.	.	H	α-helix	trans	-84.7	-35.3	-178.8	-67.3	166.7	0	0	0	112.9	T469 Y470	T469-I473 HydrophobicContact CG2-CD1 3.8Å; T469-I473 WeakPolarHBondContact O-CD1 3.38Å; T469-I473 VanDerWaalsContact O-CG1 3.24Å; T469-I473 WeakPolarHBondContact O-CG1 3.35Å; T469-I473 PolarHBondContact O-N 3.13Å; Y470-I473 PolarHBondContact O-N 3.49Å
474	H	45.3	Very low	41	Very low	107 Å²	107	101.2 Å²	101.2	50%	0.495	50%	0.503	S	S	.	.	H	α-helix	trans	-108.8	5.9	-165.4	-73.2	-73	0	0	0	117	Y470 K476	Y470-H474 HydrophobicContact CD1-CB 4.46Å; Y470-H474 AromaticContact CD1-CD2 3.95Å; Y470-H474 AromaticContact CD2-CD2 3.37Å; Y470-H474 WeakPolarHBondContact CD2-CD2 3.43Å; Y470-H474 AromaticContact CD2-NE2 3.77Å; Y470-H474 HydrophobicContact CE1-CB 4.24Å; Y470-H474 AromaticContact CE1-CD2 3.78Å; Y470-H474 AromaticContact CE2-CD2 3.15Å; Y470-H474 WeakPolarHBondContact CE2-CD2 3.4Å; Y470-H474 AromaticContact CE2-NE2 3.26Å; Y470-H474 VanDerWaalsContact CE2-NE2 3.26Å; Y470-H474 WeakPolarHBondContact CE2-NE2 3.37Å; Y470-H474 AromaticContact CG-CD2 3.76Å; Y470-H474 AromaticContact CZ-CD2 3.37Å; Y470-H474 AromaticContact CZ-CG 3.9Å; Y470-H474 AromaticContact CZ-NE2 3.72Å; Y470-H474 WeakPolarHBondContact O-CB 3.45Å; Y470-H474 PolarHBondContact O-N 3.03Å; H474-K476 PolarHBondContact O-N 3.45Å
475	R	37.3	Very low	40.7	Very low	227 Å²	227	100.4 Å²	100.4	86%	0.857	50%	0.499	S	S	*	.			trans	-78.3	58.5	175.2	-124.7	-175.1	-170.1	-164.4	3.6	113.2	G477	R475-G477 PolarHBondContact O-N 3.48Å; R475-G477 VanDerWaalsContact O-N 3.09Å
476	K	31.2	Very low	40.4	Very low	213 Å²	213	105.6 Å²	105.6	93%	0.926	53%	0.527	S	S	*	.			trans	-79	83.9	178.2	-168.7	175.4	-174.4	176.6	0	110.8	H474	H474-K476 PolarHBondContact O-N 3.45Å
477	G	29.3	Very low	39.9	Very low	67 Å²	67	110 Å²	110	69%	0.691	55%	0.548	S	S	*	.			trans	-174.1	119.3	176.5	0	0	0	0	0	115.2	R475	R475-G477 PolarHBondContact O-N 3.48Å; R475-G477 VanDerWaalsContact O-N 3.09Å
478	S	29.8	Very low	39.9	Very low	110 Å²	110	119.3 Å²	119.3	77%	0.769	58%	0.582	S	S	*	*	S	Bend	trans	73.8	110.2	176.3	-114.9	0	0	0	0	117.3
479	F	27.6	Very low	40	Very low	182 Å²	182	120.9 Å²	120.9	80%	0.798	60%	0.595	S	S	*	*	S	Bend	trans	67.3	123.2	164	-65.5	-85.6	0	0	0	120.1
480	D	31.2	Very low	40.2	Very low	134 Å²	134	120.8 Å²	120.8	72%	0.717	60%	0.6	S	S	*	*			trans	68.3	72	144.1	-49.8	-11.4	0	0	0	120.1	Q482	D480-Q482 PolarHBondContact O-N 3.1Å
481	E	26	Very low	40.8	Very low	197 Å²	197	117.7 Å²	117.7	92%	0.921	59%	0.59	S	S	*	*			trans	38	49.2	135.4	-56.6	-157.4	141.2	0	0	120.9
482	Q	33.7	Very low	41.4	Very low	137 Å²	137	116.4 Å²	116.4	64%	0.64	58%	0.581	S	S	*	*			trans	-131	124	156.5	-69.4	-168.7	9.4	0	0	112.5	D480 F484	D480-Q482 PolarHBondContact O-N 3.1Å; Q482-F484 HydrophobicContact CB-CD1 4.39Å; Q482-F484 HydrophobicContact CB-CD2 4.21Å; Q482-F484 HydrophobicContact CB-CE1 3.81Å; Q482-F484 HydrophobicContact CB-CE2 3.61Å; Q482-F484 HydrophobicContact CB-CZ 3.39Å; Q482-F484 HydrophobicContact CG-CZ 4.3Å; Q482-F484 WeakPolarHBondContact O-CD2 3.25Å; Q482-F484 PolarHBondContact O-N 3.23Å
483	N	31.8	Very low	42.4	Very low	141 Å²	141	115 Å²	115	75%	0.754	58%	0.576	S	S	*	*			trans	-89.5	91.9	-178	-72.8	-59.7	0	0	0	110.6	D485 L486	N483-D485 PolarHBondContact O-N 3.28Å; N483-L486 HydrophobicContact CB-CD1 4.17Å
484	F	41.4	Very low	43.6	Very low	116 Å²	116	112.9 Å²	112.9	51%	0.509	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78	-17.3	-154.5	-80.5	-66	0	0	0	119.5	Q482 N496	Q482-F484 HydrophobicContact CB-CD1 4.39Å; Q482-F484 HydrophobicContact CB-CD2 4.21Å; Q482-F484 HydrophobicContact CB-CE1 3.81Å; Q482-F484 HydrophobicContact CB-CE2 3.61Å; Q482-F484 HydrophobicContact CB-CZ 3.39Å; Q482-F484 HydrophobicContact CG-CZ 4.3Å; Q482-F484 WeakPolarHBondContact O-CD2 3.25Å; Q482-F484 PolarHBondContact O-N 3.23Å; F484-N496 VanDerWaalsContact CD1-ND2 3.32Å; F484-N496 WeakPolarHBondContact CD1-ND2 3.43Å
485	D	46.8	Very low	44.5	Very low	23 Å²	23	112.3 Å²	112.3	12%	0.123	57%	0.566	C	S	.	*	T	Hydrogen-bonded Turn	trans	-155.6	66.9	162	-170	21	0	0	0	112.1	N483 Q487 R488 S489	N483-D485 PolarHBondContact O-N 3.28Å; D485-Q487 PolarHBondContact O-N 2.94Å; D485-Q487 VanDerWaalsContact O-N 3.12Å; D485-R488 PolarHBondContact OD1-N 3.15Å; D485-R488 WeakPolarHBondContact OD2-CA 3.43Å; D485-S489 WeakPolarHBondContact OD1-CB 3.4Å; D485-S489 PolarHBondContact OD1-N 3.32Å; D485-S489 PolarHBondContact OD1-OG 3Å; D485-S489 PolarHBondContact OD2-N 3.41Å; D485-S489 PolarHBondContact OD2-OG 3.02Å
486	L	44.2	Very low	45.9	Very low	144 Å²	144	103.4 Å²	103.4	75%	0.754	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-7.4	178.4	-138.9	91.7	0	0	0	113.8	N483	N483-L486 HydrophobicContact CB-CD1 4.17Å
487	Q	44.8	Very low	47.7	Very low	171 Å²	171	93.3 Å²	93.3	80%	0.799	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-4.8	-171	-65.5	-174.2	-9.5	0	0	114.1	D485 S489	D485-Q487 PolarHBondContact O-N 2.94Å; D485-Q487 VanDerWaalsContact O-N 3.12Å; Q487-S489 PolarHBondContact O-N 2.77Å
488	R	50.8	Low	49.5	Very low	210 Å²	210	92.9 Å²	92.9	79%	0.792	47%	0.468	S	S	*	.			trans	52.2	42.4	-164.1	-56.9	178.9	175.5	-178.7	-2	111.5	D485 G490	D485-R488 PolarHBondContact OD1-N 3.15Å; D485-R488 WeakPolarHBondContact OD2-CA 3.43Å; R488-G490 PolarHBondContact O-N 3.48Å; R488-G490 VanDerWaalsContact O-N 3.13Å
489	S	52.9	Low	51.1	Low	54 Å²	54	91.3 Å²	91.3	38%	0.378	45%	0.45	S	S	.	.			trans	-64.1	-18.6	-173.5	64.8	0	0	0	0	113.8	D485 Q487 T491	D485-S489 WeakPolarHBondContact OD1-CB 3.4Å; D485-S489 PolarHBondContact OD1-N 3.32Å; D485-S489 PolarHBondContact OD1-OG 3Å; D485-S489 PolarHBondContact OD2-N 3.41Å; D485-S489 PolarHBondContact OD2-OG 3.02Å; Q487-S489 PolarHBondContact O-N 2.77Å; S489-T491 PolarHBondContact O-N 2.94Å; S489-T491 PolarHBondContact OG-N 3.38Å; S489-T491 PolarHBondContact OG-OG1 3.1Å
490	G	56.8	Low	52.8	Low	28 Å²	28	83.7 Å²	83.7	29%	0.289	42%	0.418	S	S	.	.			trans	70.2	8.9	-176.1	0	0	0	0	0	113.5	R488 Y531	R488-G490 PolarHBondContact O-N 3.48Å; R488-G490 VanDerWaalsContact O-N 3.13Å; G490-Y531 PolarHBondContact O-N 2.83Å
491	T	59.8	Low	54.4	Low	24 Å²	24	77.3 Å²	77.3	15%	0.147	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.9	-179.5	77.9	0	0	0	0	111.5	S489 D524 N528 V529 K530	S489-T491 PolarHBondContact O-N 2.94Å; S489-T491 PolarHBondContact OG-N 3.38Å; S489-T491 PolarHBondContact OG-OG1 3.1Å; T491-D524 HydrophobicContact CG2-CB 4.36Å; T491-N528 PolarHBondContact OG1-ND2 3.04Å; T491-V529 CarbonylContact C-O 3.58Å; T491-V529 WeakPolarHBondContact CA-O 3.45Å; T491-K530 HydrophobicContact CG2-CG 4.46Å
492	V	62.1	Low	56.3	Low	12 Å²	12	73.4 Å²	73.4	7%	0.073	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.4	-179.8	176.5	0	0	0	0	108.4	N496 F497 I500 N528 V529 Y531	V492-N496 HydrophobicContact CG1-CB 3.78Å; V492-F497 HydrophobicContact CG1-CB 4.12Å; V492-I500 HydrophobicContact CG1-CD1 4.02Å; V492-N528 CarbonylContact O-C 3.58Å; V492-N528 WeakPolarHBondContact O-CA 3.37Å; V492-N528 WeakPolarHBondContact O-CB 2.97Å; V492-V529 PolarHBondContact N-O 2.95Å; V492-V529 PolarHBondContact O-N 2.82Å; V492-Y531 HydrophobicContact CG2-CD2 4.35Å; V492-Y531 HydrophobicContact CG2-CG 4.2Å
493	S	64.9	Low	57.3	Low	36 Å²	36	71.8 Å²	71.8	25%	0.252	36%	0.36	S	S	.	.			trans	-61.8	151.6	-179.7	72.6	0	0	0	0	111.8	E495 N496 F497 N528	S493-E495 VanDerWaalsContact C-N 3.32Å; S493-E495 PolarHBondContact O-N 3.42Å; S493-N496 PolarHBondContact O-N 3.33Å; S493-N496 VanDerWaalsContact O-N 3.16Å; S493-N496 VanDerWaalsContact OG-CB 3.28Å; S493-N496 WeakPolarHBondContact OG-CB 3.43Å; S493-N496 PolarHBondContact OG-N 3.26Å; S493-N496 PolarHBondContact OG-ND2 2.94Å; S493-N496 PolarHBondContact OG-OD1 2.53Å; S493-F497 WeakPolarHBondContact O-CB 3.47Å; S493-F497 PolarHBondContact O-N 2.93Å; S493-N528 WeakPolarHBondContact CA-OD1 3.31Å
494	P	67.6	Low	58.3	Low	37 Å²	37	67.7 Å²	67.7	24%	0.24	34%	0.336	C	S	.	.	H	α-helix	trans	-54.3	-43.3	-178.9	-31.3	39.1	0	0	0	113.9	F497 R498 F514 L518 G527	P494-F497 PolarHBondContact O-N 3.43Å; P494-R498 PolarHBondContact O-N 3.2Å; P494-F514 HydrophobicContact CB-CE1 4.2Å; P494-F514 VanDerWaalsContact O-CE1 3.3Å; P494-F514 WeakPolarHBondContact O-CE1 3.43Å; P494-F514 WeakPolarHBondContact O-CZ 3.4Å; P494-L518 HydrophobicContact CB-CD1 3.96Å; P494-L518 HydrophobicContact CB-CD2 4.03Å; P494-G527 WeakPolarHBondContact CG-O 3.41Å
495	E	65.4	Low	58.8	Low	96 Å²	96	64.6 Å²	64.6	45%	0.449	32%	0.321	S	S	.	.	H	α-helix	trans	-72.1	-36.7	179.8	-156.7	64.9	-163	0	0	111.7	S493 F497 R498 I499	S493-E495 VanDerWaalsContact C-N 3.32Å; S493-E495 PolarHBondContact O-N 3.42Å; E495-F497 VanDerWaalsContact C-N 3.27Å; E495-F497 PolarHBondContact O-N 3.32Å; E495-R498 WeakPolarHBondContact O-CB 3.37Å; E495-R498 PolarHBondContact O-N 2.74Å; E495-R498 WeakPolarHBondContact OE1-CD 3.36Å; E495-R498 IonicContact OE1-CZ 3.93Å; E495-R498 IonicContact OE1-NH1 3.15Å; E495-R498 PolarHBondContact OE1-NH1 3.33Å; E495-R498 IonicContact OE2-NH1 3.92Å; E495-I499 HydrophobicContact CG-CD1 4.39Å; E495-I499 WeakPolarHBondContact O-CB 3.38Å; E495-I499 WeakPolarHBondContact O-CD1 3.47Å; E495-I499 VanDerWaalsContact O-CG1 3.23Å; E495-I499 WeakPolarHBondContact O-CG1 3.46Å; E495-I499 PolarHBondContact O-N 2.96Å
496	N	66.4	Low	59.2	Low	39 Å²	39	65.4 Å²	65.4	21%	0.209	34%	0.335	C	S	.	.	H	α-helix	trans	-63.6	-35.9	172	-70.6	4.4	0	0	0	111.1	F484 V492 S493 I499 I500	F484-N496 VanDerWaalsContact CD1-ND2 3.32Å; F484-N496 WeakPolarHBondContact CD1-ND2 3.43Å; V492-N496 HydrophobicContact CG1-CB 3.78Å; S493-N496 PolarHBondContact O-N 3.33Å; S493-N496 VanDerWaalsContact O-N 3.16Å; S493-N496 VanDerWaalsContact OG-CB 3.28Å; S493-N496 WeakPolarHBondContact OG-CB 3.43Å; S493-N496 PolarHBondContact OG-N 3.26Å; S493-N496 PolarHBondContact OG-ND2 2.94Å; S493-N496 PolarHBondContact OG-OD1 2.53Å; N496-I499 PolarHBondContact O-N 2.79Å; N496-I500 VanDerWaalsContact O-CG1 3.26Å; N496-I500 WeakPolarHBondContact O-CG1 3.46Å; N496-I500 PolarHBondContact O-N 2.76Å
497	F	68.5	Low	59.9	Low	1 Å²	1	60.6 Å²	60.6	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-69.5	-37.1	174.2	-168.6	-105.4	0	0	0	112.2	V492 S493 P494 E495 I500 L501 F514 F517 L521 V529 Y531 F534	V492-F497 HydrophobicContact CG1-CB 4.12Å; S493-F497 WeakPolarHBondContact O-CB 3.47Å; S493-F497 PolarHBondContact O-N 2.93Å; P494-F497 PolarHBondContact O-N 3.43Å; E495-F497 VanDerWaalsContact C-N 3.27Å; E495-F497 PolarHBondContact O-N 3.32Å; F497-I500 WeakPolarHBondContact O-CB 3.18Å; F497-I500 PolarHBondContact O-N 2.85Å; F497-L501 HydrophobicContact CD1-CD1 3.76Å; F497-L501 HydrophobicContact CD1-CG 4.3Å; F497-L501 HydrophobicContact CE1-CD1 3.65Å; F497-L501 HydrophobicContact CE1-CD2 4.33Å; F497-L501 HydrophobicContact CE1-CG 4.12Å; F497-L501 HydrophobicContact CZ-CD1 4.49Å; F497-L501 HydrophobicContact CZ-CD2 4.41Å; F497-L501 VanDerWaalsContact O-CG 3.3Å; F497-L501 WeakPolarHBondContact O-CG 3.26Å; F497-L501 PolarHBondContact O-N 3.04Å; F497-F514 HydrophobicContact CD1-CE2 4.39Å; F497-F514 HydrophobicContact CD1-CZ 4.3Å; F497-F517 HydrophobicContact CE1-CE1 4.01Å; F497-L521 HydrophobicContact CD1-CD1 3.82Å; F497-L521 HydrophobicContact CE1-CD1 3.33Å; F497-L521 HydrophobicContact CE1-CD2 4.23Å; F497-L521 HydrophobicContact CE1-CG 4.45Å; F497-L521 HydrophobicContact CZ-CD1 4.14Å; F497-L521 HydrophobicContact CZ-CD2 4.39Å; F497-V529 HydrophobicContact CB-CG2 3.98Å; F497-V529 HydrophobicContact CD1-CG2 3.88Å; F497-V529 HydrophobicContact CD2-CB 4.29Å; F497-V529 HydrophobicContact CD2-CG1 4.08Å; F497-V529 HydrophobicContact CD2-CG2 4.28Å; F497-V529 HydrophobicContact CE1-CG2 4.42Å; F497-V529 HydrophobicContact CE2-CG1 4.01Å; F497-V529 HydrophobicContact CG-CB 4.29Å; F497-V529 HydrophobicContact CG-CG1 4.39Å; F497-V529 HydrophobicContact CG-CG2 3.79Å; F497-V529 HydrophobicContact CZ-CG1 4.24Å; F497-Y531 HydrophobicContact CD2-CD2 4.12Å; F497-Y531 HydrophobicContact CD2-CE2 4.36Å; F497-Y531 AromaticContact CE2-CD2 3.88Å; F497-Y531 HydrophobicContact CE2-CD2 3.88Å; F497-Y531 AromaticContact CE2-CE2 3.92Å; F497-Y531 HydrophobicContact CE2-CE2 3.92Å; F497-F534 AromaticContact CE2-CD1 3.84Å; F497-F534 HydrophobicContact CE2-CD1 3.84Å; F497-F534 AromaticContact CE2-CE1 3.83Å; F497-F534 HydrophobicContact CE2-CE1 3.83Å; F497-F534 HydrophobicContact CE2-CG 4.44Å; F497-F534 HydrophobicContact CE2-CZ 4.4Å; F497-F534 AromaticContact CZ-CD1 3.81Å; F497-F534 HydrophobicContact CZ-CD1 3.81Å; F497-F534 HydrophobicContact CZ-CD2 4.29Å; F497-F534 AromaticContact CZ-CE1 3.55Å; F497-F534 HydrophobicContact CZ-CE1 3.55Å; F497-F534 HydrophobicContact CZ-CE2 4.03Å; F497-F534 HydrophobicContact CZ-CG 4.17Å; F497-F534 AromaticContact CZ-CZ 3.65Å; F497-F534 HydrophobicContact CZ-CZ 3.65Å
498	R	67.1	Low	60.4	Low	58 Å²	58	60.3 Å²	60.3	22%	0.219	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-44.4	171	-163.5	177	172.7	-129.1	-5	111.7	P494 E495 I500 L501 F502 F509 F514	P494-R498 PolarHBondContact O-N 3.2Å; E495-R498 WeakPolarHBondContact O-CB 3.37Å; E495-R498 PolarHBondContact O-N 2.74Å; E495-R498 WeakPolarHBondContact OE1-CD 3.36Å; E495-R498 IonicContact OE1-CZ 3.93Å; E495-R498 IonicContact OE1-NH1 3.15Å; E495-R498 PolarHBondContact OE1-NH1 3.33Å; E495-R498 IonicContact OE2-NH1 3.92Å; R498-I500 VanDerWaalsContact C-N 3.34Å; R498-L501 PolarHBondContact O-N 3.1Å; R498-F502 WeakPolarHBondContact O-CB 3.4Å; R498-F502 PolarHBondContact O-N 3.09Å; R498-F509 PolarHBondContact NH2-O 2.89Å; R498-F514 HydrophobicContact CB-CD1 4.2Å; R498-F514 HydrophobicContact CB-CD2 4.29Å; R498-F514 HydrophobicContact CB-CE1 3.71Å; R498-F514 HydrophobicContact CB-CE2 3.85Å; R498-F514 HydrophobicContact CB-CG 4.47Å; R498-F514 HydrophobicContact CB-CZ 3.53Å; R498-F514 HydrophobicContact CG-CD1 4.06Å; R498-F514 HydrophobicContact CG-CD2 3.93Å; R498-F514 HydrophobicContact CG-CE1 4.09Å; R498-F514 HydrophobicContact CG-CE2 4Å; R498-F514 HydrophobicContact CG-CG 3.98Å; R498-F514 HydrophobicContact CG-CZ 4.07Å
499	I	63.7	Low	60.7	Low	77 Å²	77	50.9 Å²	50.9	40%	0.395	27%	0.271	S	S	.	.	H	α-helix	trans	-63.3	-39.4	175.1	-69.6	163.7	0	0	0	110.6	E495 N496 N503	E495-I499 HydrophobicContact CG-CD1 4.39Å; E495-I499 WeakPolarHBondContact O-CB 3.38Å; E495-I499 WeakPolarHBondContact O-CD1 3.47Å; E495-I499 VanDerWaalsContact O-CG1 3.23Å; E495-I499 WeakPolarHBondContact O-CG1 3.46Å; E495-I499 PolarHBondContact O-N 2.96Å; N496-I499 PolarHBondContact O-N 2.79Å; I499-N503 VanDerWaalsContact CG2-ND2 3.33Å; I499-N503 WeakPolarHBondContact CG2-ND2 3.34Å; I499-N503 VanDerWaalsContact O-CB 3.22Å; I499-N503 WeakPolarHBondContact O-CB 3.18Å; I499-N503 PolarHBondContact O-N 3.35Å; I499-N503 PolarHBondContact O-ND2 3.31Å
500	I	62.8	Low	61.4	Low	22 Å²	22	52.1 Å²	52.1	11%	0.113	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-48	172	-73.3	162.6	0	0	0	110.6	V492 N496 F497 R498 F502 N503 H504	V492-I500 HydrophobicContact CG1-CD1 4.02Å; N496-I500 VanDerWaalsContact O-CG1 3.26Å; N496-I500 WeakPolarHBondContact O-CG1 3.46Å; N496-I500 PolarHBondContact O-N 2.76Å; F497-I500 WeakPolarHBondContact O-CB 3.18Å; F497-I500 PolarHBondContact O-N 2.85Å; R498-I500 VanDerWaalsContact C-N 3.34Å; I500-F502 VanDerWaalsContact C-N 3.34Å; I500-F502 PolarHBondContact O-N 3.46Å; I500-N503 PolarHBondContact O-N 3.22Å; I500-H504 WeakPolarHBondContact O-CB 3.33Å; I500-H504 PolarHBondContact O-CD2 3.19Å; I500-H504 PolarHBondContact O-N 2.95Å
501	L	65.1	Low	61.7	Low	1 Å²	1	57.7 Å²	57.7	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-63.6	-38.6	-180	-65.9	163.5	0	0	0	113.1	F497 R498 Y505 G506 Y507 F509 F514 F517	F497-L501 HydrophobicContact CD1-CD1 3.76Å; F497-L501 HydrophobicContact CD1-CG 4.3Å; F497-L501 HydrophobicContact CE1-CD1 3.65Å; F497-L501 HydrophobicContact CE1-CD2 4.33Å; F497-L501 HydrophobicContact CE1-CG 4.12Å; F497-L501 HydrophobicContact CZ-CD1 4.49Å; F497-L501 HydrophobicContact CZ-CD2 4.41Å; F497-L501 VanDerWaalsContact O-CG 3.3Å; F497-L501 WeakPolarHBondContact O-CG 3.26Å; F497-L501 PolarHBondContact O-N 3.04Å; R498-L501 PolarHBondContact O-N 3.1Å; L501-Y505 HydrophobicContact CD2-CD2 4.15Å; L501-Y505 CarbonylContact O-C 3.6Å; L501-Y505 WeakPolarHBondContact O-CA 3.32Å; L501-Y505 PolarHBondContact O-N 3.12Å; L501-G506 PolarHBondContact O-N 3.38Å; L501-G506 VanDerWaalsContact O-N 3.13Å; L501-Y507 PolarHBondContact O-N 2.69Å; L501-F509 HydrophobicContact CB-CE2 3.89Å; L501-F509 HydrophobicContact CD1-CD2 4.38Å; L501-F509 HydrophobicContact CD1-CE2 3.55Å; L501-F509 HydrophobicContact CD1-CZ 3.97Å; L501-F509 HydrophobicContact CG-CE2 4.26Å; L501-F514 HydrophobicContact CD1-CE2 3.78Å; L501-F517 HydrophobicContact CD1-CD1 3.87Å; L501-F517 HydrophobicContact CD1-CE1 3.56Å; L501-F517 HydrophobicContact CD2-CE1 4.2Å
502	F	65.6	Low	61.7	Low	115 Å²	115	62.3 Å²	62.3	50%	0.504	31%	0.312	S	S	.	.	H	α-helix	trans	-68	-53.1	175.9	-176.1	-105.2	0	0	0	111.4	R498 I500 G506 E508	R498-F502 WeakPolarHBondContact O-CB 3.4Å; R498-F502 PolarHBondContact O-N 3.09Å; I500-F502 VanDerWaalsContact C-N 3.34Å; I500-F502 PolarHBondContact O-N 3.46Å; F502-G506 VanDerWaalsContact O-CA 3.26Å; F502-G506 WeakPolarHBondContact O-CA 3.35Å; F502-G506 PolarHBondContact O-N 2.89Å; F502-E508 HydrophobicContact CD2-CB 4.3Å; F502-E508 HydrophobicContact CE2-CB 4.23Å; F502-E508 HydrophobicContact CE2-CG 4.34Å
503	N	55.4	Low	61.8	Low	102 Å²	102	63.4 Å²	63.4	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-75.9	-30.8	-174.3	-72.1	-24.1	0	0	0	114.4	I499 I500	I499-N503 VanDerWaalsContact CG2-ND2 3.33Å; I499-N503 WeakPolarHBondContact CG2-ND2 3.34Å; I499-N503 VanDerWaalsContact O-CB 3.22Å; I499-N503 WeakPolarHBondContact O-CB 3.18Å; I499-N503 PolarHBondContact O-N 3.35Å; I499-N503 PolarHBondContact O-ND2 3.31Å; I500-N503 PolarHBondContact O-N 3.22Å
504	H	51.5	Low	61.8	Low	56 Å²	56	62 Å²	62	26%	0.259	31%	0.31	S	S	.	.	H	α-helix	trans	-97.5	-31.1	-175.6	-61.6	-132.5	0	0	0	112.6	F17 I500	F17-H504 AromaticContact CE1-ND1 3.77Å; F17-H504 AromaticContact CZ-CE1 3.34Å; F17-H504 WeakPolarHBondContact CZ-CE1 2.82Å; F17-H504 AromaticContact CZ-ND1 3.45Å; F17-H504 WeakPolarHBondContact CZ-ND1 3.38Å; I500-H504 WeakPolarHBondContact O-CB 3.33Å; I500-H504 PolarHBondContact O-CD2 3.19Å; I500-H504 PolarHBondContact O-N 2.95Å
505	Y	52.7	Low	61.7	Low	51 Å²	51	64.4 Å²	64.4	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-125.1	-3.5	-173.3	-53.8	-63.6	0	0	0	114.1	L361 F365 L501 Y507	L361-Y505 HydrophobicContact CD2-CD1 4.08Å; L361-Y505 HydrophobicContact CD2-CD2 4.19Å; L361-Y505 HydrophobicContact CD2-CG 3.87Å; F365-Y505 AromaticContact CE1-CE1 3.64Å; F365-Y505 HydrophobicContact CE1-CE1 3.64Å; F365-Y505 AromaticContact CE1-CZ 3.84Å; F365-Y505 WeakPolarHBondContact CE1-OH 3.48Å; F365-Y505 AromaticContact CZ-CE1 3.65Å; F365-Y505 HydrophobicContact CZ-CE1 3.65Å; F365-Y505 HydrophobicContact CZ-CE2 4.46Å; F365-Y505 AromaticContact CZ-CZ 3.56Å; F365-Y505 WeakPolarHBondContact CZ-OH 3.36Å; L501-Y505 HydrophobicContact CD2-CD2 4.15Å; L501-Y505 CarbonylContact O-C 3.6Å; L501-Y505 WeakPolarHBondContact O-CA 3.32Å; L501-Y505 PolarHBondContact O-N 3.12Å; Y505-Y507 VanDerWaalsContact C-N 3.28Å; Y505-Y507 PolarHBondContact O-N 3.28Å
506	G	54.7	Low	61.5	Low	40 Å²	40	64.5 Å²	64.5	41%	0.412	32%	0.321	S	S	.	.			trans	71	16.3	177.9	0	0	0	0	0	114.9	L501 F502 E508	L501-G506 PolarHBondContact O-N 3.38Å; L501-G506 VanDerWaalsContact O-N 3.13Å; F502-G506 VanDerWaalsContact O-CA 3.26Å; F502-G506 WeakPolarHBondContact O-CA 3.35Å; F502-G506 PolarHBondContact O-N 2.89Å; G506-E508 PolarHBondContact O-N 2.83Å
507	Y	59.9	Low	61.4	Low	43 Å²	43	62.7 Å²	62.7	17%	0.169	31%	0.311	C	S	.	.			trans	-81.8	101.7	177.9	-75.8	-77.4	0	0	0	111	I357 L361 L501 Y505 F509	I357-Y507 HydrophobicContact CG2-CE1 4.24Å; L361-Y507 HydrophobicContact CD2-CD2 4.39Å; L361-Y507 HydrophobicContact CD2-CE2 3.71Å; L361-Y507 HydrophobicContact CG-CE2 4.06Å; L501-Y507 PolarHBondContact O-N 2.69Å; Y505-Y507 VanDerWaalsContact C-N 3.28Å; Y505-Y507 PolarHBondContact O-N 3.28Å; Y507-F509 VanDerWaalsContact CB-CE2 3.44Å; Y507-F509 HydrophobicContact CG-CE2 4.32Å; Y507-F509 WeakPolarHBondContact O-CD2 3.5Å; Y507-F509 PolarHBondContact O-N 2.7Å
508	E	54	Low	61.3	Low	165 Å²	165	63.4 Å²	63.4	77%	0.771	32%	0.315	S	S	*	.			trans	-79.9	101.6	169.2	-172.5	178.4	-154.1	0	0	110.2	F502 G506	F502-E508 HydrophobicContact CD2-CB 4.3Å; F502-E508 HydrophobicContact CE2-CB 4.23Å; F502-E508 HydrophobicContact CE2-CG 4.34Å; G506-E508 PolarHBondContact O-N 2.83Å
509	F	58.9	Low	60.9	Low	11 Å²	11	63.4 Å²	63.4	5%	0.048	32%	0.32	C	S	.	.			trans	-92.8	134.9	173.8	-63.9	-99.2	0	0	0	111.5	I357 R498 L501 Y507 F514 F517	I357-F509 HydrophobicContact CD1-CE1 3.62Å; I357-F509 HydrophobicContact CD1-CZ 4.03Å; R498-F509 PolarHBondContact NH2-O 2.89Å; L501-F509 HydrophobicContact CB-CE2 3.89Å; L501-F509 HydrophobicContact CD1-CD2 4.38Å; L501-F509 HydrophobicContact CD1-CE2 3.55Å; L501-F509 HydrophobicContact CD1-CZ 3.97Å; L501-F509 HydrophobicContact CG-CE2 4.26Å; Y507-F509 VanDerWaalsContact CB-CE2 3.44Å; Y507-F509 HydrophobicContact CG-CE2 4.32Å; Y507-F509 WeakPolarHBondContact O-CD2 3.5Å; Y507-F509 PolarHBondContact O-N 2.7Å; F509-F514 HydrophobicContact CB-CB 3.72Å; F509-F514 HydrophobicContact CB-CD2 4.2Å; F509-F514 HydrophobicContact CB-CG 4.36Å; F509-F514 HydrophobicContact CD1-CB 4.39Å; F509-F514 HydrophobicContact CD1-CD2 4.18Å; F509-F514 HydrophobicContact CD2-CD2 4.07Å; F509-F514 HydrophobicContact CE2-CD2 4.46Å; F509-F514 HydrophobicContact CG-CB 4.21Å; F509-F514 AromaticContact CG-CD2 3.92Å; F509-F514 HydrophobicContact CG-CD2 3.92Å; F509-F517 HydrophobicContact CD1-CB 4.28Å; F509-F517 HydrophobicContact CE1-CB 3.67Å; F509-F517 AromaticContact CE1-CD1 3.87Å; F509-F517 HydrophobicContact CE1-CD1 3.87Å; F509-F517 HydrophobicContact CE1-CD2 4.23Å; F509-F517 AromaticContact CE1-CG 3.67Å; F509-F517 HydrophobicContact CE1-CG 3.67Å; F509-F517 HydrophobicContact CZ-CB 4.36Å; F509-F517 AromaticContact CZ-CD1 3.65Å; F509-F517 HydrophobicContact CZ-CD1 3.65Å; F509-F517 HydrophobicContact CZ-CD2 4.42Å; F509-F517 AromaticContact CZ-CE1 3.99Å; F509-F517 HydrophobicContact CZ-CE1 3.99Å; F509-F517 AromaticContact CZ-CG 3.9Å; F509-F517 HydrophobicContact CZ-CG 3.9Å
510	T	67.1	Low	60.9	Low	81 Å²	81	62 Å²	62	50%	0.497	31%	0.313	S	S	.	.			trans	-64.4	162.3	157.3	83.4	0	0	0	0	109.6	E512 S513 F514	T510-E512 WeakPolarHBondContact CB-OE2 3.45Å; T510-E512 PolarHBondContact O-N 3.31Å; T510-E512 PolarHBondContact OG1-OE2 3.46Å; T510-S513 PolarHBondContact O-N 2.85Å; T510-S513 PolarHBondContact OG1-N 3.17Å; T510-F514 WeakPolarHBondContact O-CB 3.28Å; T510-F514 PolarHBondContact O-N 3.43Å
511	K	62.5	Low	60.9	Low	145 Å²	145	61.5 Å²	61.5	63%	0.63	31%	0.31	S	S	*	.	H	α-helix	trans	-62.8	-33.6	-178.5	-70.3	-176.3	175.5	-177.5	0	111.8	N515	K511-N515 WeakPolarHBondContact O-CB 3.46Å; K511-N515 PolarHBondContact O-N 3.19Å; K511-N515 PolarHBondContact O-ND2 2.87Å
512	E	60	Low	60.6	Low	120 Å²	120	62.8 Å²	62.8	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-71.7	-50.6	-178.7	-49.9	66.7	-138.9	0	0	110	T510 F514 N515 E516	T510-E512 WeakPolarHBondContact CB-OE2 3.45Å; T510-E512 PolarHBondContact O-N 3.31Å; T510-E512 PolarHBondContact OG1-OE2 3.46Å; E512-F514 VanDerWaalsContact C-N 3.3Å; E512-F514 PolarHBondContact O-N 2.83Å; E512-N515 PolarHBondContact O-N 3.43Å; E512-E516 PolarHBondContact O-N 3.44Å
513	S	63.1	Low	60.4	Low	36 Å²	36	58.6 Å²	58.6	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-34.1	175.1	-179.5	0	0	0	0	112.2	T510 E516 F517	T510-S513 PolarHBondContact O-N 2.85Å; T510-S513 PolarHBondContact OG1-N 3.17Å; S513-E516 PolarHBondContact O-N 3.31Å; S513-F517 PolarHBondContact O-N 3.17Å
514	F	66.4	Low	60.7	Low	6 Å²	6	55 Å²	55	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-67.3	-41.7	172.8	-168.6	-119	0	0	0	111.9	P494 F497 R498 L501 F509 T510 E512 E516 F517 L518	P494-F514 HydrophobicContact CB-CE1 4.2Å; P494-F514 VanDerWaalsContact O-CE1 3.3Å; P494-F514 WeakPolarHBondContact O-CE1 3.43Å; P494-F514 WeakPolarHBondContact O-CZ 3.4Å; F497-F514 HydrophobicContact CD1-CE2 4.39Å; F497-F514 HydrophobicContact CD1-CZ 4.3Å; R498-F514 HydrophobicContact CB-CD1 4.2Å; R498-F514 HydrophobicContact CB-CD2 4.29Å; R498-F514 HydrophobicContact CB-CE1 3.71Å; R498-F514 HydrophobicContact CB-CE2 3.85Å; R498-F514 HydrophobicContact CB-CG 4.47Å; R498-F514 HydrophobicContact CB-CZ 3.53Å; R498-F514 HydrophobicContact CG-CD1 4.06Å; R498-F514 HydrophobicContact CG-CD2 3.93Å; R498-F514 HydrophobicContact CG-CE1 4.09Å; R498-F514 HydrophobicContact CG-CE2 4Å; R498-F514 HydrophobicContact CG-CG 3.98Å; R498-F514 HydrophobicContact CG-CZ 4.07Å; L501-F514 HydrophobicContact CD1-CE2 3.78Å; F509-F514 HydrophobicContact CB-CB 3.72Å; F509-F514 HydrophobicContact CB-CD2 4.2Å; F509-F514 HydrophobicContact CB-CG 4.36Å; F509-F514 HydrophobicContact CD1-CB 4.39Å; F509-F514 HydrophobicContact CD1-CD2 4.18Å; F509-F514 HydrophobicContact CD2-CD2 4.07Å; F509-F514 HydrophobicContact CE2-CD2 4.46Å; F509-F514 HydrophobicContact CG-CB 4.21Å; F509-F514 AromaticContact CG-CD2 3.92Å; F509-F514 HydrophobicContact CG-CD2 3.92Å; T510-F514 WeakPolarHBondContact O-CB 3.28Å; T510-F514 PolarHBondContact O-N 3.43Å; E512-F514 VanDerWaalsContact C-N 3.3Å; E512-F514 PolarHBondContact O-N 2.83Å; F514-E516 VanDerWaalsContact C-N 3.33Å; F514-E516 PolarHBondContact O-N 3.46Å; F514-F517 HydrophobicContact CD2-CD1 4.5Å; F514-F517 HydrophobicContact CE2-CD1 4.31Å; F514-F517 CarbonylContact O-C 3.57Å; F514-F517 WeakPolarHBondContact O-CA 3.41Å; F514-F517 WeakPolarHBondContact O-CB 3.5Å; F514-F517 PolarHBondContact O-N 3.45Å; F514-F517 VanDerWaalsContact O-N 3.07Å; F514-L518 HydrophobicContact CD1-CD1 3.85Å; F514-L518 HydrophobicContact CD1-CD2 4.48Å; F514-L518 HydrophobicContact CD1-CG 3.98Å; F514-L518 HydrophobicContact CE1-CD1 3.64Å; F514-L518 HydrophobicContact CE1-CD2 3.69Å; F514-L518 HydrophobicContact CE1-CG 3.67Å; F514-L518 HydrophobicContact CE2-CD2 4.25Å; F514-L518 HydrophobicContact CE2-CG 4.4Å; F514-L518 HydrophobicContact CG-CG 4.49Å; F514-L518 HydrophobicContact CZ-CD1 4.34Å; F514-L518 HydrophobicContact CZ-CD2 3.53Å; F514-L518 HydrophobicContact CZ-CG 3.89Å; F514-L518 WeakPolarHBondContact O-CG 3.3Å; F514-L518 PolarHBondContact O-N 3.08Å
515	N	64.7	Low	60.9	Low	88 Å²	88	57.7 Å²	57.7	47%	0.471	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-37.8	174.6	-72.6	-24.4	0	0	0	112.2	K511 E512 F517 L518 N519	K511-N515 WeakPolarHBondContact O-CB 3.46Å; K511-N515 PolarHBondContact O-N 3.19Å; K511-N515 PolarHBondContact O-ND2 2.87Å; E512-N515 PolarHBondContact O-N 3.43Å; N515-F517 VanDerWaalsContact C-N 3.32Å; N515-L518 PolarHBondContact O-N 2.89Å; N515-N519 PolarHBondContact O-N 3.05Å; N515-N519 VanDerWaalsContact O-N 3.08Å; N515-N519 PolarHBondContact O-ND2 2.7Å; N515-N519 VanDerWaalsContact O-ND2 3.11Å
516	E	61.2	Low	61.1	Low	98 Å²	98	61.5 Å²	61.5	46%	0.458	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-37.4	169.7	-72	-177	179.9	0	0	112.6	V354 E512 S513 F514 N519	V354-E516 HydrophobicContact CG2-CB 3.98Å; V354-E516 WeakPolarHBondContact CG2-OE2 3.48Å; E512-E516 PolarHBondContact O-N 3.44Å; S513-E516 PolarHBondContact O-N 3.31Å; F514-E516 VanDerWaalsContact C-N 3.33Å; F514-E516 PolarHBondContact O-N 3.46Å; E516-N519 WeakPolarHBondContact O-CB 3.47Å; E516-N519 PolarHBondContact O-N 2.9Å
517	F	65	Low	61.3	Low	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-70.4	-43	175.5	-168.1	-118.6	0	0	0	112.3	V354 I357 I358 L361 F497 L501 F509 S513 F514 N515 N519 L520 L521	V354-F517 HydrophobicContact CG1-CB 3.99Å; V354-F517 HydrophobicContact CG1-CD2 3.75Å; V354-F517 HydrophobicContact CG1-CG 4.37Å; I357-F517 HydrophobicContact CB-CD2 4.41Å; I357-F517 HydrophobicContact CB-CE2 3.9Å; I357-F517 HydrophobicContact CD1-CD2 4.18Å; I357-F517 HydrophobicContact CD1-CE2 4.45Å; I357-F517 HydrophobicContact CG2-CD2 4.35Å; I357-F517 HydrophobicContact CG2-CE2 3.61Å; I357-F517 HydrophobicContact CG2-CZ 3.9Å; I358-F517 HydrophobicContact CG1-CE2 4.06Å; I358-F517 HydrophobicContact CG1-CZ 4.5Å; L361-F517 HydrophobicContact CD1-CZ 4.5Å; F497-F517 HydrophobicContact CE1-CE1 4.01Å; L501-F517 HydrophobicContact CD1-CD1 3.87Å; L501-F517 HydrophobicContact CD1-CE1 3.56Å; L501-F517 HydrophobicContact CD2-CE1 4.2Å; F509-F517 HydrophobicContact CD1-CB 4.28Å; F509-F517 HydrophobicContact CE1-CB 3.67Å; F509-F517 AromaticContact CE1-CD1 3.87Å; F509-F517 HydrophobicContact CE1-CD1 3.87Å; F509-F517 HydrophobicContact CE1-CD2 4.23Å; F509-F517 AromaticContact CE1-CG 3.67Å; F509-F517 HydrophobicContact CE1-CG 3.67Å; F509-F517 HydrophobicContact CZ-CB 4.36Å; F509-F517 AromaticContact CZ-CD1 3.65Å; F509-F517 HydrophobicContact CZ-CD1 3.65Å; F509-F517 HydrophobicContact CZ-CD2 4.42Å; F509-F517 AromaticContact CZ-CE1 3.99Å; F509-F517 HydrophobicContact CZ-CE1 3.99Å; F509-F517 AromaticContact CZ-CG 3.9Å; F509-F517 HydrophobicContact CZ-CG 3.9Å; S513-F517 PolarHBondContact O-N 3.17Å; F514-F517 HydrophobicContact CD2-CD1 4.5Å; F514-F517 HydrophobicContact CE2-CD1 4.31Å; F514-F517 CarbonylContact O-C 3.57Å; F514-F517 WeakPolarHBondContact O-CA 3.41Å; F514-F517 WeakPolarHBondContact O-CB 3.5Å; F514-F517 PolarHBondContact O-N 3.45Å; F514-F517 VanDerWaalsContact O-N 3.07Å; N515-F517 VanDerWaalsContact C-N 3.32Å; F517-N519 PolarHBondContact O-N 2.63Å; F517-L520 WeakPolarHBondContact O-CB 3.5Å; F517-L520 PolarHBondContact O-N 3.2Å; F517-L521 HydrophobicContact CD1-CD1 4.22Å; F517-L521 HydrophobicContact CE1-CD1 4.29Å; F517-L521 HydrophobicContact CE1-CD2 4.24Å; F517-L521 HydrophobicContact CZ-CD2 4.32Å; F517-L521 WeakPolarHBondContact O-CG 3.44Å
518	L	66	Low	61.5	Low	17 Å²	17	60.5 Å²	60.5	9%	0.089	32%	0.315	C	S	.	.	H	α-helix	trans	-55.1	-38.4	172.9	-71.9	178.7	0	0	0	111.7	P494 F514 N515 L520 L521 L523 V529	P494-L518 HydrophobicContact CB-CD1 3.96Å; P494-L518 HydrophobicContact CB-CD2 4.03Å; F514-L518 HydrophobicContact CD1-CD1 3.85Å; F514-L518 HydrophobicContact CD1-CD2 4.48Å; F514-L518 HydrophobicContact CD1-CG 3.98Å; F514-L518 HydrophobicContact CE1-CD1 3.64Å; F514-L518 HydrophobicContact CE1-CD2 3.69Å; F514-L518 HydrophobicContact CE1-CG 3.67Å; F514-L518 HydrophobicContact CE2-CD2 4.25Å; F514-L518 HydrophobicContact CE2-CG 4.4Å; F514-L518 HydrophobicContact CG-CG 4.49Å; F514-L518 HydrophobicContact CZ-CD1 4.34Å; F514-L518 HydrophobicContact CZ-CD2 3.53Å; F514-L518 HydrophobicContact CZ-CG 3.89Å; F514-L518 WeakPolarHBondContact O-CG 3.3Å; F514-L518 PolarHBondContact O-N 3.08Å; N515-L518 PolarHBondContact O-N 2.89Å; L518-L520 PolarHBondContact O-N 3.19Å; L518-L520 VanDerWaalsContact O-N 3.09Å; L518-L521 HydrophobicContact CD2-CD1 3.98Å; L518-L521 PolarHBondContact O-N 3.3Å; L518-L523 HydrophobicContact CB-CD1 4.34Å; L518-L523 HydrophobicContact CD2-CD2 4.23Å; L518-L523 WeakPolarHBondContact O-CD1 3.32Å; L518-V529 HydrophobicContact CD2-CG2 4.33Å
519	N	59.4	Low	62.1	Low	58 Å²	58	52.6 Å²	52.6	31%	0.31	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-9.7	176.2	-70.9	-31.2	0	0	0	114.5	N515 E516 F517 G662	N515-N519 PolarHBondContact O-N 3.05Å; N515-N519 VanDerWaalsContact O-N 3.08Å; N515-N519 PolarHBondContact O-ND2 2.7Å; N515-N519 VanDerWaalsContact O-ND2 3.11Å; E516-N519 WeakPolarHBondContact O-CB 3.47Å; E516-N519 PolarHBondContact O-N 2.9Å; F517-N519 PolarHBondContact O-N 2.63Å; N519-G662 WeakPolarHBondContact OD1-CA 3.37Å
520	L	62	Low	62.4	Low	48 Å²	48	56.1 Å²	56.1	25%	0.251	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-13.3	173.7	-60.7	176.6	0	0	0	113.5	V354 F517 L518	V354-L520 HydrophobicContact CG1-CD1 3.8Å; F517-L520 WeakPolarHBondContact O-CB 3.5Å; F517-L520 PolarHBondContact O-N 3.2Å; L518-L520 PolarHBondContact O-N 3.19Å; L518-L520 VanDerWaalsContact O-N 3.09Å
521	L	63.8	Low	62.2	Low	11 Å²	11	53.2 Å²	53.2	6%	0.058	27%	0.273	C	S	.	.	S	Bend	trans	-91.7	153.8	-170.2	-61.3	173.8	0	0	0	113.1	F497 F517 L518 L523 V529 F534	F497-L521 HydrophobicContact CD1-CD1 3.82Å; F497-L521 HydrophobicContact CE1-CD1 3.33Å; F497-L521 HydrophobicContact CE1-CD2 4.23Å; F497-L521 HydrophobicContact CE1-CG 4.45Å; F497-L521 HydrophobicContact CZ-CD1 4.14Å; F497-L521 HydrophobicContact CZ-CD2 4.39Å; F517-L521 HydrophobicContact CD1-CD1 4.22Å; F517-L521 HydrophobicContact CE1-CD1 4.29Å; F517-L521 HydrophobicContact CE1-CD2 4.24Å; F517-L521 HydrophobicContact CZ-CD2 4.32Å; F517-L521 WeakPolarHBondContact O-CG 3.44Å; L518-L521 HydrophobicContact CD2-CD1 3.98Å; L518-L521 PolarHBondContact O-N 3.3Å; L521-L523 HydrophobicContact CB-CG 4.45Å; L521-L523 PolarHBondContact O-N 3.03Å; L521-V529 HydrophobicContact CD1-CG2 3.97Å; L521-F534 HydrophobicContact CD2-CD2 3.41Å; L521-F534 VanDerWaalsContact CD2-CD2 3.41Å; L521-F534 HydrophobicContact CD2-CE2 3.41Å; L521-F534 VanDerWaalsContact CD2-CE2 3.41Å; L521-F534 HydrophobicContact CD2-CG 4.45Å; L521-F534 HydrophobicContact CD2-CZ 4.47Å
522	P	58.6	Low	62	Low	27 Å²	27	47.2 Å²	47.2	18%	0.175	25%	0.251	C	S	.	.			trans	-71.7	93.1	169.1	29.5	-31.9	0	0	0	110.2	K530 E533 F534	P522-K530 WeakPolarHBondContact O-CB 3.45Å; P522-K530 PolarHBondContact O-N 2.9Å; P522-E533 HydrophobicContact CB-CB 4.06Å; P522-E533 HydrophobicContact CB-CG 3.94Å; P522-E533 HydrophobicContact CG-CB 3.97Å; P522-E533 HydrophobicContact CG-CG 4.16Å; P522-F534 HydrophobicContact CG-CB 4.03Å
523	L	62.2	Low	62	Low	27 Å²	27	45 Å²	45	14%	0.141	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-95.1	132.1	177.7	-63.7	166.7	0	0	0	111.3	L518 L521 G527 N528 V529 R665	L518-L523 HydrophobicContact CB-CD1 4.34Å; L518-L523 HydrophobicContact CD2-CD2 4.23Å; L518-L523 WeakPolarHBondContact O-CD1 3.32Å; L521-L523 HydrophobicContact CB-CG 4.45Å; L521-L523 PolarHBondContact O-N 3.03Å; L523-G527 WeakPolarHBondContact CD2-O 3.29Å; L523-N528 CarbonylContact C-O 3.37Å; L523-N528 WeakPolarHBondContact CA-O 3.02Å; L523-V529 HydrophobicContact CD2-CB 4.37Å; L523-V529 HydrophobicContact CD2-CG2 3.64Å; L523-R665 PolarHBondContact O-NH1 2.82Å
524	D	60.1	Low	62	Low	27 Å²	27	43.7 Å²	43.7	14%	0.144	23%	0.23	C	C	.	.			trans	-67.5	173.3	174.4	-167.9	42.4	0	0	0	113.3	T491 N526 G527 N528 K530 R665	T491-D524 HydrophobicContact CG2-CB 4.36Å; D524-N526 PolarHBondContact O-N 3.47Å; D524-G527 PolarHBondContact O-N 3.01Å; D524-N528 WeakPolarHBondContact CB-O 3.48Å; D524-N528 PolarHBondContact N-O 3.43Å; D524-K530 HydrophobicContact CB-CD 4.41Å; D524-K530 HydrophobicContact CB-CG 4.04Å; D524-K530 WeakPolarHBondContact OD1-CE 3.32Å; D524-K530 IonicContact OD1-NZ 3.17Å; D524-K530 PolarHBondContact OD1-NZ 2.85Å; D524-R665 PolarHBondContact O-NH2 2.98Å
525	L	56.8	Low	61.6	Low	113 Å²	113	43.9 Å²	43.9	59%	0.592	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-42.2	172.9	-64.7	170.6	0	0	0	112	G527 H677	L525-G527 PolarHBondContact O-N 2.93Å; L525-H677 HydrophobicContact CD2-CB 3.96Å
526	N	56.3	Low	61.2	Low	131 Å²	131	46.2 Å²	46.2	70%	0.701	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	3.2	179.4	-64.8	-20.3	0	0	0	114.1	D524 N528	D524-N526 PolarHBondContact O-N 3.47Å; N526-N528 PolarHBondContact O-N 3.35Å
527	G	59.6	Low	60.9	Low	22 Å²	22	45.3 Å²	45.3	23%	0.227	23%	0.229	C	C	.	.	S	Bend	trans	78.4	-1.1	-175.9	0	0	0	0	0	115	P494 L523 D524 L525	P494-G527 WeakPolarHBondContact CG-O 3.41Å; L523-G527 WeakPolarHBondContact CD2-O 3.29Å; D524-G527 PolarHBondContact O-N 3.01Å; L525-G527 PolarHBondContact O-N 2.93Å
528	N	64.6	Low	60.3	Low	39 Å²	39	46.3 Å²	46.3	21%	0.209	23%	0.234	C	C	.	.			trans	-73	143.5	173.9	-65.9	-15.2	0	0	0	111.5	T491 V492 S493 L523 D524 N526 K530	T491-N528 PolarHBondContact OG1-ND2 3.04Å; V492-N528 CarbonylContact O-C 3.58Å; V492-N528 WeakPolarHBondContact O-CA 3.37Å; V492-N528 WeakPolarHBondContact O-CB 2.97Å; S493-N528 WeakPolarHBondContact CA-OD1 3.31Å; L523-N528 CarbonylContact C-O 3.37Å; L523-N528 WeakPolarHBondContact CA-O 3.02Å; D524-N528 WeakPolarHBondContact CB-O 3.48Å; D524-N528 PolarHBondContact N-O 3.43Å; N526-N528 PolarHBondContact O-N 3.35Å; N528-K530 PolarHBondContact O-N 3.3Å
529	V	66.1	Low	59.2	Low	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	124.6	172.4	-179.4	0	0	0	0	109.2	T491 V492 F497 L518 L521 L523 Y531 F534	T491-V529 CarbonylContact C-O 3.58Å; T491-V529 WeakPolarHBondContact CA-O 3.45Å; V492-V529 PolarHBondContact N-O 2.95Å; V492-V529 PolarHBondContact O-N 2.82Å; F497-V529 HydrophobicContact CB-CG2 3.98Å; F497-V529 HydrophobicContact CD1-CG2 3.88Å; F497-V529 HydrophobicContact CD2-CB 4.29Å; F497-V529 HydrophobicContact CD2-CG1 4.08Å; F497-V529 HydrophobicContact CD2-CG2 4.28Å; F497-V529 HydrophobicContact CE1-CG2 4.42Å; F497-V529 HydrophobicContact CE2-CG1 4.01Å; F497-V529 HydrophobicContact CG-CB 4.29Å; F497-V529 HydrophobicContact CG-CG1 4.39Å; F497-V529 HydrophobicContact CG-CG2 3.79Å; F497-V529 HydrophobicContact CZ-CG1 4.24Å; L518-V529 HydrophobicContact CD2-CG2 4.33Å; L521-V529 HydrophobicContact CD1-CG2 3.97Å; L523-V529 HydrophobicContact CD2-CB 4.37Å; L523-V529 HydrophobicContact CD2-CG2 3.64Å; V529-Y531 PolarHBondContact O-N 3.48Å; V529-F534 HydrophobicContact CG1-CB 4.26Å
530	K	64.2	Low	58.3	Low	85 Å²	85	52.7 Å²	52.7	37%	0.37	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	92.9	168.5	-69.1	-166.7	173.3	178.7	0	108.3	T491 P522 D524 N528 A532 E533 F534	T491-K530 HydrophobicContact CG2-CG 4.46Å; P522-K530 WeakPolarHBondContact O-CB 3.45Å; P522-K530 PolarHBondContact O-N 2.9Å; D524-K530 HydrophobicContact CB-CD 4.41Å; D524-K530 HydrophobicContact CB-CG 4.04Å; D524-K530 WeakPolarHBondContact OD1-CE 3.32Å; D524-K530 IonicContact OD1-NZ 3.17Å; D524-K530 PolarHBondContact OD1-NZ 2.85Å; N528-K530 PolarHBondContact O-N 3.3Å; K530-A532 VanDerWaalsContact C-N 3.31Å; K530-A532 PolarHBondContact O-N 3.16Å; K530-E533 HydrophobicContact CB-CB 3.87Å; K530-E533 PolarHBondContact O-N 3.18Å; K530-E533 VanDerWaalsContact O-N 3.1Å; K530-F534 PolarHBondContact O-N 2.88Å
531	Y	64.2	Low	57	Low	20 Å²	20	57.7 Å²	57.7	8%	0.078	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-37.4	-169.3	-170.8	-97.3	0	0	0	111.8	L468 G490 V492 F497 V529 F534 M535	L468-Y531 HydrophobicContact CD1-CE1 3.77Å; L468-Y531 WeakPolarHBondContact CD1-OH 3.34Å; G490-Y531 PolarHBondContact O-N 2.83Å; V492-Y531 HydrophobicContact CG2-CD2 4.35Å; V492-Y531 HydrophobicContact CG2-CG 4.2Å; F497-Y531 HydrophobicContact CD2-CD2 4.12Å; F497-Y531 HydrophobicContact CD2-CE2 4.36Å; F497-Y531 AromaticContact CE2-CD2 3.88Å; F497-Y531 HydrophobicContact CE2-CD2 3.88Å; F497-Y531 AromaticContact CE2-CE2 3.92Å; F497-Y531 HydrophobicContact CE2-CE2 3.92Å; V529-Y531 PolarHBondContact O-N 3.48Å; Y531-F534 HydrophobicContact CD2-CD1 4.43Å; Y531-F534 HydrophobicContact CE2-CD1 4.27Å; Y531-F534 PolarHBondContact O-N 3.08Å; Y531-M535 HydrophobicContact CD1-CG 3.93Å; Y531-M535 HydrophobicContact CE1-CE 4.25Å; Y531-M535 HydrophobicContact CE1-CG 3.44Å; Y531-M535 VanDerWaalsContact CE1-CG 3.44Å; Y531-M535 HydrophobicContact CE1-SD 4.15Å; Y531-M535 HydrophobicContact CE2-CG 4.31Å; Y531-M535 WeakPolarHBondContact O-CB 3.44Å; Y531-M535 VanDerWaalsContact O-CG 3.24Å; Y531-M535 WeakPolarHBondContact O-CG 3.24Å; Y531-M535 PolarHBondContact O-N 2.91Å; Y531-M535 PolarHBondContact OH-SD 3.41Å
532	A	57.9	Low	55.4	Low	19 Å²	19	60.9 Å²	60.9	16%	0.157	31%	0.31	C	S	.	.	H	α-helix	trans	-59.5	-46.1	171.9	0	0	0	0	0	112	K530 M535 R536	K530-A532 VanDerWaalsContact C-N 3.31Å; K530-A532 PolarHBondContact O-N 3.16Å; A532-M535 PolarHBondContact O-N 3.45Å; A532-R536 WeakPolarHBondContact O-CG 3.24Å; A532-R536 PolarHBondContact O-N 2.99Å
533	E	61	Low	54.2	Low	74 Å²	74	66.7 Å²	66.7	35%	0.346	34%	0.335	S	S	.	.	H	α-helix	trans	-70.8	-36.5	-179.1	-162.6	61.5	-162.3	0	0	112.4	P522 K530 R536 Q537	P522-E533 HydrophobicContact CB-CB 4.06Å; P522-E533 HydrophobicContact CB-CG 3.94Å; P522-E533 HydrophobicContact CG-CB 3.97Å; P522-E533 HydrophobicContact CG-CG 4.16Å; K530-E533 HydrophobicContact CB-CB 3.87Å; K530-E533 PolarHBondContact O-N 3.18Å; K530-E533 VanDerWaalsContact O-N 3.1Å; E533-R536 PolarHBondContact O-N 3.47Å; E533-R536 IonicContact OE1-NH1 3.45Å; E533-R536 PolarHBondContact OE1-NH1 2.76Å; E533-R536 WeakPolarHBondContact OE2-CD 3.31Å; E533-R536 IonicContact OE2-CZ 3.51Å; E533-R536 IonicContact OE2-NE 3.25Å; E533-R536 IonicContact OE2-NH1 2.77Å; E533-R536 PolarHBondContact OE2-NH1 3.32Å; E533-Q537 PolarHBondContact O-N 2.91Å
534	F	63	Low	52.6	Low	8 Å²	8	71.7 Å²	71.7	4%	0.035	37%	0.367	C	S	.	.	H	α-helix	trans	-59.2	-49.1	169.4	172.7	-108.3	0	0	0	110.6	F497 L521 P522 V529 K530 Y531 R536 Q537 F538	F497-F534 AromaticContact CE2-CD1 3.84Å; F497-F534 HydrophobicContact CE2-CD1 3.84Å; F497-F534 AromaticContact CE2-CE1 3.83Å; F497-F534 HydrophobicContact CE2-CE1 3.83Å; F497-F534 HydrophobicContact CE2-CG 4.44Å; F497-F534 HydrophobicContact CE2-CZ 4.4Å; F497-F534 AromaticContact CZ-CD1 3.81Å; F497-F534 HydrophobicContact CZ-CD1 3.81Å; F497-F534 HydrophobicContact CZ-CD2 4.29Å; F497-F534 AromaticContact CZ-CE1 3.55Å; F497-F534 HydrophobicContact CZ-CE1 3.55Å; F497-F534 HydrophobicContact CZ-CE2 4.03Å; F497-F534 HydrophobicContact CZ-CG 4.17Å; F497-F534 AromaticContact CZ-CZ 3.65Å; F497-F534 HydrophobicContact CZ-CZ 3.65Å; L521-F534 HydrophobicContact CD2-CD2 3.41Å; L521-F534 VanDerWaalsContact CD2-CD2 3.41Å; L521-F534 HydrophobicContact CD2-CE2 3.41Å; L521-F534 VanDerWaalsContact CD2-CE2 3.41Å; L521-F534 HydrophobicContact CD2-CG 4.45Å; L521-F534 HydrophobicContact CD2-CZ 4.47Å; P522-F534 HydrophobicContact CG-CB 4.03Å; V529-F534 HydrophobicContact CG1-CB 4.26Å; K530-F534 PolarHBondContact O-N 2.88Å; Y531-F534 HydrophobicContact CD2-CD1 4.43Å; Y531-F534 HydrophobicContact CE2-CD1 4.27Å; Y531-F534 PolarHBondContact O-N 3.08Å; F534-R536 VanDerWaalsContact C-N 3.34Å; F534-R536 PolarHBondContact O-N 2.82Å; F534-Q537 WeakPolarHBondContact O-CB 3.43Å; F534-Q537 PolarHBondContact O-N 3.05Å; F534-Q537 VanDerWaalsContact O-N 3.12Å; F534-F538 AromaticContact CD1-CE2 3.99Å; F534-F538 HydrophobicContact CD1-CE2 3.99Å; F534-F538 AromaticContact CD2-CE2 3.87Å; F534-F538 HydrophobicContact CD2-CE2 3.87Å; F534-F538 AromaticContact CE1-CE2 3.59Å; F534-F538 HydrophobicContact CE1-CE2 3.59Å; F534-F538 HydrophobicContact CE1-CZ 4.06Å; F534-F538 AromaticContact CE2-CE2 3.48Å; F534-F538 HydrophobicContact CE2-CE2 3.48Å; F534-F538 VanDerWaalsContact CE2-CE2 3.48Å; F534-F538 AromaticContact CE2-CZ 3.7Å; F534-F538 HydrophobicContact CE2-CZ 3.7Å; F534-F538 HydrophobicContact CG-CE2 4.13Å; F534-F538 AromaticContact CZ-CE2 3.33Å; F534-F538 HydrophobicContact CZ-CE2 3.33Å; F534-F538 AromaticContact CZ-CZ 3.43Å; F534-F538 HydrophobicContact CZ-CZ 3.43Å; F534-F538 VanDerWaalsContact CZ-CZ 3.43Å; F534-F538 WeakPolarHBondContact O-CD2 3.36Å; F534-F538 WeakPolarHBondContact O-CE2 3.42Å
535	M	56.5	Low	51	Low	9 Å²	9	74.7 Å²	74.7	4%	0.044	39%	0.389	C	S	.	.	H	α-helix	trans	-65.3	-33.6	179.4	-70.3	-66	-92	0	0	113	L468 Y531 A532 Q537 F538	L468-M535 HydrophobicContact CD1-CE 4.09Å; Y531-M535 HydrophobicContact CD1-CG 3.93Å; Y531-M535 HydrophobicContact CE1-CE 4.25Å; Y531-M535 HydrophobicContact CE1-CG 3.44Å; Y531-M535 VanDerWaalsContact CE1-CG 3.44Å; Y531-M535 HydrophobicContact CE1-SD 4.15Å; Y531-M535 HydrophobicContact CE2-CG 4.31Å; Y531-M535 WeakPolarHBondContact O-CB 3.44Å; Y531-M535 VanDerWaalsContact O-CG 3.24Å; Y531-M535 WeakPolarHBondContact O-CG 3.24Å; Y531-M535 PolarHBondContact O-N 2.91Å; Y531-M535 PolarHBondContact OH-SD 3.41Å; A532-M535 PolarHBondContact O-N 3.45Å; M535-Q537 VanDerWaalsContact C-N 3.25Å; M535-Q537 PolarHBondContact O-N 3.18Å; M535-F538 PolarHBondContact O-N 3.06Å
536	R	57.9	Low	49.6	Very low	138 Å²	138	75.1 Å²	75.1	52%	0.521	39%	0.388	S	S	.	.	H	α-helix	trans	-60.7	-30.2	172.4	-74.9	173.9	78	-151.1	7.3	112.9	A532 E533 F534 F538 N539	A532-R536 WeakPolarHBondContact O-CG 3.24Å; A532-R536 PolarHBondContact O-N 2.99Å; E533-R536 PolarHBondContact O-N 3.47Å; E533-R536 IonicContact OE1-NH1 3.45Å; E533-R536 PolarHBondContact OE1-NH1 2.76Å; E533-R536 WeakPolarHBondContact OE2-CD 3.31Å; E533-R536 IonicContact OE2-CZ 3.51Å; E533-R536 IonicContact OE2-NE 3.25Å; E533-R536 IonicContact OE2-NH1 2.77Å; E533-R536 PolarHBondContact OE2-NH1 3.32Å; F534-R536 VanDerWaalsContact C-N 3.34Å; F534-R536 PolarHBondContact O-N 2.82Å; R536-F538 PolarHBondContact O-N 3.13Å; R536-N539 WeakPolarHBondContact O-CB 3.24Å; R536-N539 PolarHBondContact O-N 3.06Å
537	Q	53.7	Low	48.3	Very low	79 Å²	79	74.4 Å²	74.4	37%	0.369	39%	0.39	S	S	.	.	H	α-helix	trans	-65.1	-21.4	174.2	-63.7	176	12.1	0	0	112.8	E533 F534 M535	E533-Q537 PolarHBondContact O-N 2.91Å; F534-Q537 WeakPolarHBondContact O-CB 3.43Å; F534-Q537 PolarHBondContact O-N 3.05Å; F534-Q537 VanDerWaalsContact O-N 3.12Å; M535-Q537 VanDerWaalsContact C-N 3.25Å; M535-Q537 PolarHBondContact O-N 3.18Å
538	F	52.5	Low	46.8	Very low	21 Å²	21	80.7 Å²	80.7	9%	0.092	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	1.4	173.4	-57.7	-96.2	0	0	0	113.6	I358 L361 I362 F365 R458 F534 M535 R536	I358-F538 HydrophobicContact CG2-CE1 4.44Å; I358-F538 HydrophobicContact CG2-CZ 4.45Å; L361-F538 HydrophobicContact CB-CE1 3.85Å; L361-F538 HydrophobicContact CB-CZ 4.48Å; L361-F538 HydrophobicContact CD1-CZ 4.4Å; I362-F538 HydrophobicContact CD1-CD1 4.49Å; I362-F538 HydrophobicContact CG1-CD1 3.54Å; I362-F538 HydrophobicContact CG1-CE1 3.83Å; F365-F538 AromaticContact CD2-CD1 3.96Å; F365-F538 HydrophobicContact CD2-CD1 3.96Å; F365-F538 HydrophobicContact CD2-CE1 4.28Å; F365-F538 AromaticContact CE2-CD1 3.92Å; F365-F538 HydrophobicContact CE2-CD1 3.92Å; F365-F538 AromaticContact CE2-CE1 3.96Å; F365-F538 HydrophobicContact CE2-CE1 3.96Å; R458-F538 PolarHBondContact NH1-O 3.44Å; F534-F538 AromaticContact CD1-CE2 3.99Å; F534-F538 HydrophobicContact CD1-CE2 3.99Å; F534-F538 AromaticContact CD2-CE2 3.87Å; F534-F538 HydrophobicContact CD2-CE2 3.87Å; F534-F538 AromaticContact CE1-CE2 3.59Å; F534-F538 HydrophobicContact CE1-CE2 3.59Å; F534-F538 HydrophobicContact CE1-CZ 4.06Å; F534-F538 AromaticContact CE2-CE2 3.48Å; F534-F538 HydrophobicContact CE2-CE2 3.48Å; F534-F538 VanDerWaalsContact CE2-CE2 3.48Å; F534-F538 AromaticContact CE2-CZ 3.7Å; F534-F538 HydrophobicContact CE2-CZ 3.7Å; F534-F538 HydrophobicContact CG-CE2 4.13Å; F534-F538 AromaticContact CZ-CE2 3.33Å; F534-F538 HydrophobicContact CZ-CE2 3.33Å; F534-F538 AromaticContact CZ-CZ 3.43Å; F534-F538 HydrophobicContact CZ-CZ 3.43Å; F534-F538 VanDerWaalsContact CZ-CZ 3.43Å; F534-F538 WeakPolarHBondContact O-CD2 3.36Å; F534-F538 WeakPolarHBondContact O-CE2 3.42Å; M535-F538 PolarHBondContact O-N 3.06Å; R536-F538 PolarHBondContact O-N 3.13Å
539	N	43.4	Very low	45.2	Very low	61 Å²	61	83.3 Å²	83.3	33%	0.326	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-1.9	175.4	-69.2	1.9	0	0	0	112.8	R458 R536 K541	R458-N539 WeakPolarHBondContact CB-OD1 3.48Å; R458-N539 WeakPolarHBondContact CD-OD1 3.46Å; R536-N539 WeakPolarHBondContact O-CB 3.24Å; R536-N539 PolarHBondContact O-N 3.06Å; N539-K541 PolarHBondContact O-N 2.85Å
540	L	38.9	Very low	43.6	Very low	147 Å²	147	90.9 Å²	90.9	77%	0.77	47%	0.467	S	S	*	.	S	Bend	trans	-73.9	99.3	179.1	-115.9	73.1	0	0	0	111.4
541	K	35.7	Very low	41.8	Very low	153 Å²	153	96.5 Å²	96.5	67%	0.665	49%	0.494	S	S	*	.			trans	59	84	154.8	-69.8	-176.6	154	-149.9	0	116.8	N539 E543	N539-K541 PolarHBondContact O-N 2.85Å; K541-E543 HydrophobicContact CB-CG 4.22Å; K541-E543 HydrophobicContact CD-CG 4.42Å; K541-E543 WeakPolarHBondContact CD-OE1 3.27Å; K541-E543 WeakPolarHBondContact CE-OE1 3.4Å; K541-E543 IonicContact NZ-OE1 2.74Å; K541-E543 PolarHBondContact NZ-OE1 2.82Å; K541-E543 PolarHBondContact O-N 3.32Å
542	S	31	Very low	40	Very low	79 Å²	79	98.6 Å²	98.6	55%	0.552	52%	0.522	S	S	*	.			trans	-70.4	82.9	143.5	-65.9	0	0	0	0	109.6	T544	S542-T544 PolarHBondContact O-N 3.11Å
543	E	32.1	Very low	38.7	Very low	149 Å²	149	109 Å²	109	70%	0.696	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	22.5	168.6	-80.6	173.1	174.2	0	0	112.8	K541	K541-E543 HydrophobicContact CB-CG 4.22Å; K541-E543 HydrophobicContact CD-CG 4.42Å; K541-E543 WeakPolarHBondContact CD-OE1 3.27Å; K541-E543 WeakPolarHBondContact CE-OE1 3.4Å; K541-E543 IonicContact NZ-OE1 2.74Å; K541-E543 PolarHBondContact NZ-OE1 2.82Å; K541-E543 PolarHBondContact O-N 3.32Å
544	T	28.3	Very low	36.9	Very low	132 Å²	132	112.3 Å²	112.3	81%	0.81	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.6	37	-176.7	41.9	0	0	0	0	112.3	S542	S542-T544 PolarHBondContact O-N 3.11Å
545	C	26.4	Very low	35.2	Very low	89 Å²	89	118.6 Å²	118.6	60%	0.601	61%	0.613	S	S	*	*			trans	-155	94.4	164.9	-112.7	0	0	0	0	110.7
546	E	27.2	Very low	33.8	Very low	122 Å²	122	125.6 Å²	125.6	57%	0.57	65%	0.645	S	S	*	*			trans	-71.4	141.4	170.2	-67.1	-175.4	129.4	0	0	111	N312 L548	N312-E546 PolarHBondContact ND2-OE1 3.23Å; N312-E546 PolarHBondContact ND2-OE2 2.98Å; E546-L548 PolarHBondContact O-N 2.89Å; E546-L548 VanDerWaalsContact O-N 3.07Å
547	P	30.2	Very low	32.2	Very low	116 Å²	116	125.6 Å²	125.6	75%	0.753	67%	0.665	S	S	*	*			trans	-73.1	95.5	170.7	-12	28.3	0	0	0	110.4	L549	P547-L549 PolarHBondContact O-N 3.05Å
548	L	27.4	Very low	30.7	Very low	155 Å²	155	130.5 Å²	130.5	81%	0.812	69%	0.688	S	S	*	*	S	Bend	trans	-68.1	16.8	-177.1	-74.2	169.4	0	0	0	115.5	E546	E546-L548 PolarHBondContact O-N 2.89Å; E546-L548 VanDerWaalsContact O-N 3.07Å
549	L	31.1	Very low	29.6	Very low	94 Å²	94	137.3 Å²	137.3	49%	0.492	72%	0.723	S	S	.	*			trans	-143.7	46.7	-170	-67.4	177.9	0	0	0	114	N404 A449 P547	N404-L549 HydrophobicContact CB-CD1 4.39Å; N404-L549 HydrophobicContact CB-CD2 3.51Å; A449-L549 HydrophobicContact CB-CD1 4.34Å; P547-L549 PolarHBondContact O-N 3.05Å
550	E	32.7	Very low	28.6	Very low	158 Å²	158	141 Å²	141	74%	0.738	74%	0.743	S	S	*	*			trans	-142.7	51	168.8	-115.9	163.3	-133	0	0	111.6	R453	R453-E550 IonicContact NH1-OE1 2.85Å
551	Q	27.3	Very low	28	Very low	204 Å²	204	140.7 Å²	140.7	95%	0.953	74%	0.742	S	S	*	*			trans	-112.7	111.3	164.2	-77.2	-171.8	-12.8	0	0	109.9
552	G	26	Very low	27.5	Very low	63 Å²	63	139.4 Å²	139.4	65%	0.649	75%	0.752	S	S	*	*	S	Bend	trans	134.5	131.8	172.5	0	0	0	0	0	113.8
553	Y	30	Very low	27.4	Very low	237 Å²	237	142.6 Å²	142.6	93%	0.929	76%	0.763	S	S	*	*			trans	70.9	87.5	172.6	-58.2	-76.8	0	0	0	117.6
554	N	23.2	Very low	27	Very low	145 Å²	145	142.8 Å²	142.8	78%	0.775	77%	0.768	S	S	*	*			trans	-56.9	155.2	140.8	-52.7	-26.8	0	0	0	108.8
555	D	27.6	Very low	26.9	Very low	140 Å²	140	141.5 Å²	141.5	75%	0.749	77%	0.765	S	S	*	*				-170.1	162.8	79	-96.8	-18.5	0	0	0	113
556	Q	26.4	Very low	27	Very low	156 Å²	156	142.1 Å²	142.1	73%	0.729	77%	0.77	S	S	*	*			trans	44.5	95.5	159.6	-92.3	66.4	-15.1	0	0	118.9
557	C	24.2	Very low	27	Very low	137 Å²	137	140.8 Å²	140.8	93%	0.926	77%	0.771	S	S	*	*				-146.4	130.9	121.7	-99	0	0	0	0	111.1
558	Q	24.2	Very low	26.7	Very low	183 Å²	183	139.2 Å²	139.2	86%	0.855	76%	0.755	S	S	*	*			trans	-83.8	149.6	169.6	-63.7	165.6	-22.9	0	0	109.3
559	I	27.4	Very low	26.6	Very low	164 Å²	164	135.9 Å²	135.9	84%	0.841	74%	0.741	S	S	*	*			trans	-178.8	142.1	133.7	-95.1	153.3	0	0	0	109.3
560	D	22.8	Very low	26.3	Very low	137 Å²	137	136 Å²	136	73%	0.733	75%	0.749	S	S	*	*			trans	-61.7	147.3	-175.7	-42.7	-70.2	0	0	0	113.7
561	N	26.3	Very low	25.9	Very low	142 Å²	142	134 Å²	134	76%	0.759	74%	0.744	S	S	*	*				178	119.4	120.4	-91.9	-57.5	0	0	0	110.8	N563	N561-N563 PolarHBondContact O-N 2.96Å; N561-N563 VanDerWaalsContact O-N 3.11Å
562	S	26.5	Very low	25.9	Very low	125 Å²	125	131.5 Å²	131.5	87%	0.874	74%	0.737	S	S	*	*			trans	-79.3	92.1	-178.2	54.2	0	0	0	0	111.8	L564	S562-L564 PolarHBondContact O-N 3.38Å
563	N	27.9	Very low	25.9	Very low	146 Å²	146	135.4 Å²	135.4	78%	0.781	75%	0.748	S	S	*	*			trans	-66.6	120.1	-178	-79.4	-60.2	0	0	0	113.4	N561 S565	N561-N563 PolarHBondContact O-N 2.96Å; N561-N563 VanDerWaalsContact O-N 3.11Å; N563-S565 PolarHBondContact O-N 2.79Å
564	L	24.2	Very low	25.7	Very low	153 Å²	153	130.7 Å²	130.7	80%	0.801	74%	0.74	S	S	*	*			trans	-21.6	116.5	143.3	177.6	74.5	0	0	0	113.7	S562	S562-L564 PolarHBondContact O-N 3.38Å
565	S	26.4	Very low	26	Very low	105 Å²	105	129.7 Å²	129.7	73%	0.734	73%	0.734	S	S	*	*			trans	-167.7	149.8	160.8	-91.2	0	0	0	0	115.5	N563	N563-S565 PolarHBondContact O-N 2.79Å
566	S	28.2	Very low	26.1	Very low	102 Å²	102	129.2 Å²	129.2	71%	0.713	73%	0.732	S	S	*	*			trans	70.7	91.1	161.4	63.1	0	0	0	0	120
567	T	26.4	Very low	26.2	Very low	95 Å²	95	131 Å²	131	58%	0.583	74%	0.737	S	S	*	*				54.4	120.2	121.3	54	0	0	0	0	119.9
568	I	25.6	Very low	26.5	Very low	83 Å²	83	133.2 Å²	133.2	43%	0.426	73%	0.734	S	S	.	*				69.5	99.3	72.6	-67.5	172.2	0	0	0	112.7	Q635	I568-Q635 HydrophobicContact CD1-CB 4.05Å; I568-Q635 HydrophobicContact CD1-CG 3.52Å
569	T	24.4	Very low	26.7	Very low	84 Å²	84	132.5 Å²	132.5	52%	0.515	73%	0.73	S	S	.	*				69.1	98.7	119.6	-45.8	0	0	0	0	118.9
570	S	23.8	Very low	26.6	Very low	96 Å²	96	129.5 Å²	129.5	67%	0.671	72%	0.724	S	S	*	*				38.6	129.3	106.4	-44.1	0	0	0	0	120.4
571	N	25.8	Very low	26.8	Very low	117 Å²	117	131.1 Å²	131.1	63%	0.626	73%	0.731	S	S	*	*				166.9	121.6	122.8	-81.8	-31.7	0	0	0	108.2
572	N	25.8	Very low	26.6	Very low	151 Å²	151	131.1 Å²	131.1	81%	0.807	73%	0.73	S	S	*	*				59.3	93.5	74.5	-84.3	-10.9	0	0	0	114.8
573	T	26.3	Very low	26.7	Very low	145 Å²	145	134.6 Å²	134.6	89%	0.89	73%	0.732	S	S	*	*				-148.9	135.7	129.3	45.5	0	0	0	0	108.3
574	N	27.3	Very low	26.5	Very low	139 Å²	139	135.8 Å²	135.8	74%	0.743	73%	0.733	S	S	*	*			trans	-151.2	141.1	175.4	-152.1	20	0	0	0	109.1
575	N	28.3	Very low	26.7	Very low	124 Å²	124	135.2 Å²	135.2	66%	0.663	74%	0.737	S	S	*	*			trans	66.6	149.9	163	-60.1	-15.7	0	0	0	117.2
576	N	30.6	Very low	26.5	Very low	130 Å²	130	137.8 Å²	137.8	70%	0.695	74%	0.737	S	S	*	*			cis	-142.1	159.8	-8.8	-95.4	-24.4	0	0	0	107.6
577	K	26.8	Very low	26.4	Very low	194 Å²	194	142.1 Å²	142.1	84%	0.843	74%	0.739	S	S	*	*			cis	71.5	76.8	39	-104.2	-163.6	-179.2	-170.4	0	116.2
578	Q	32.5	Very low	26.5	Very low	183 Å²	183	145 Å²	145	86%	0.855	74%	0.743	S	S	*	*			trans	-151.8	132.8	143.7	-99.7	161.3	-11.9	0	0	105.5
579	Q	28.5	Very low	26.4	Very low	168 Å²	168	147 Å²	147	79%	0.785	76%	0.762	S	S	*	*			cis	118.3	111.2	16.7	179.3	171.2	6	0	0	108.9
580	S	24.3	Very low	26.5	Very low	100 Å²	100	148.8 Å²	148.8	70%	0.699	77%	0.773	S	S	*	*			trans	50	123.8	166.4	58.4	0	0	0	0	118
581	L	26.5	Very low	26.7	Very low	171 Å²	171	151.9 Å²	151.9	90%	0.895	78%	0.782	S	S	*	*				-155.4	175.4	71.6	-96.6	163.3	0	0	0	113.4
582	I	23.4	Very low	26.7	Very low	143 Å²	143	155 Å²	155	73%	0.733	79%	0.793	S	S	*	*			trans	-95.1	137.8	177.1	-60.7	161.5	0	0	0	108.5	E584	I582-E584 HydrophobicContact CG2-CG 4.42Å
583	E	27.8	Very low	26.9	Very low	197 Å²	197	153.7 Å²	153.7	92%	0.921	79%	0.79	S	S	*	*			trans	-153	142.6	140.3	-124.2	161.5	-142.1	0	0	109.9
584	E	24	Very low	27.2	Very low	171 Å²	171	155.5 Å²	155.5	80%	0.799	79%	0.788	S	S	*	*			trans	-100.3	146.9	-171.3	-61.3	172.6	134.8	0	0	110.4	I582	I582-E584 HydrophobicContact CG2-CG 4.42Å
585	T	27.7	Very low	27	Very low	142 Å²	142	158.3 Å²	158.3	87%	0.871	80%	0.797	S	S	*	*			trans	-156.3	118	148.9	-9.2	0	0	0	0	110.2
586	E	23.3	Very low	27.1	Very low	159 Å²	159	157.3 Å²	157.3	74%	0.743	80%	0.799	S	S	*	*			trans	-63.9	163.3	165.2	-54.8	174.7	90.3	0	0	110.4
587	Y	26	Very low	27.1	Very low	192 Å²	192	156.7 Å²	156.7	75%	0.753	81%	0.806	S	S	*	*				-165.2	106.1	112.7	-112.5	-77.4	0	0	0	112.8
588	K	28.3	Very low	27.4	Very low	156 Å²	156	154.7 Å²	154.7	68%	0.678	80%	0.803	S	S	*	*			trans	41.5	121.4	149.1	-62.3	-177.9	-177.5	177.7	0	121.1
589	P	23.6	Very low	27.2	Very low	126 Å²	126	152.4 Å²	152.4	82%	0.818	80%	0.796	S	S	*	*			trans	-93.2	117	159.7	34.3	-27.4	0	0	0	111.9
590	T	25.1	Very low	27.6	Very low	120 Å²	120	150.3 Å²	150.3	74%	0.736	80%	0.797	S	S	*	*			trans	-160.2	122.9	153.8	-20.5	0	0	0	0	111.5
591	N	29.2	Very low	28.1	Very low	161 Å²	161	151.6 Å²	151.6	86%	0.861	80%	0.795	S	S	*	*				-177	116.4	125.6	-92.2	-13.1	0	0	0	108.6
592	E	25.4	Very low	28.6	Very low	184 Å²	184	148.2 Å²	148.2	86%	0.86	78%	0.783	S	S	*	*			trans	-73.5	147.2	169.7	-55.8	170.8	137.7	0	0	109.2
593	V	30.8	Very low	29.6	Very low	123 Å²	123	147.3 Å²	147.3	75%	0.745	79%	0.787	S	S	*	*			trans	-175.2	119.5	137.2	139.8	0	0	0	0	110.6
594	Q	31.7	Very low	30.7	Very low	182 Å²	182	146.1 Å²	146.1	85%	0.85	78%	0.778	S	S	*	*			trans	66.4	146.6	154.2	-66.9	167.6	7.6	0	0	120.8
595	E	23.6	Very low	32.1	Very low	198 Å²	198	144.8 Å²	144.8	93%	0.925	77%	0.772	S	S	*	*			trans	-94.6	135.6	-170.7	-58.4	161	99.3	0	0	112.1
596	S	30.9	Very low	33.7	Very low	103 Å²	103	139.3 Å²	139.3	72%	0.72	74%	0.735	S	S	*	*			trans	-153	92.1	154.3	63.4	0	0	0	0	112	I598	S596-I598 PolarHBondContact O-N 3.35Å
597	S	28.8	Very low	36	Very low	118 Å²	118	135.2 Å²	135.2	83%	0.825	72%	0.722	S	S	*	*			trans	-2.6	106.3	157.7	52.6	0	0	0	0	118.2
598	I	33.7	Very low	38	Very low	152 Å²	152	129 Å²	129	78%	0.779	70%	0.701	S	S	*	*			trans	-123.6	118.4	160.1	-61.2	179.1	0	0	0	108.6	S596	S596-I598 PolarHBondContact O-N 3.35Å
599	N	29.5	Very low	40.1	Very low	135 Å²	135	129.5 Å²	129.5	72%	0.722	70%	0.703	S	S	*	*			trans	-71.5	148.4	178	-71.2	-65.3	0	0	0	111.6	I601	N599-I601 PolarHBondContact O-N 2.71Å
600	P	36.3	Very low	42.7	Very low	124 Å²	124	128.3 Å²	128.3	81%	0.805	69%	0.687	S	S	*	*			trans	-61.7	112.7	166.7	27.2	-33.2	0	0	0	109.1
601	I	33.9	Very low	45.1	Very low	127 Å²	127	122.6 Å²	122.6	65%	0.651	65%	0.652	S	S	*	*			trans	-65.2	124.9	-172.1	-61.3	166.2	0	0	0	108.7	N599	N599-I601 PolarHBondContact O-N 2.71Å
602	P	37.5	Very low	47.5	Very low	100 Å²	100	117.2 Å²	117.2	65%	0.649	62%	0.621	S	S	*	*			trans	-61	149.5	174.7	27.2	-35	0	0	0	109.5	K604	P602-K604 PolarHBondContact O-N 2.98Å
603	P	44.9	Very low	50	Low	124 Å²	124	112.2 Å²	112.2	81%	0.805	60%	0.598	S	S	*	*			trans	-61.5	98.5	-177.8	26.2	-34.3	0	0	0	109.7	Q605	P603-Q605 PolarHBondContact O-N 3.37Å
604	K	49.9	Very low	52.3	Low	171 Å²	171	108.4 Å²	108.4	74%	0.743	57%	0.573	S	S	*	*			trans	-53.5	128.3	176.3	-73.4	-177.6	177.1	178.3	0	107.4	P602 R606	P602-K604 PolarHBondContact O-N 2.98Å; K604-R606 PolarHBondContact O-N 3.38Å
605	Q	54.7	Low	54.5	Low	144 Å²	144	99.9 Å²	99.9	67%	0.673	53%	0.533	S	S	*	.			trans	-55.9	107.6	177.7	-65.9	-179.5	2.3	0	0	108.3	P603 T607	P603-Q605 PolarHBondContact O-N 3.37Å; Q605-T607 PolarHBondContact O-N 3.11Å
606	R	61.2	Low	57.2	Low	26 Å²	26	92.6 Å²	92.6	10%	0.098	50%	0.497	C	S	.	.			trans	-52.1	128.2	-178.2	-74.4	179.8	-77.5	-152.4	-8.8	108.7	K604 E610 P657 E658 E663 R666	K604-R606 PolarHBondContact O-N 3.38Å; R606-E610 HydrophobicContact CB-CB 4.35Å; R606-P657 PolarHBondContact NH1-O 3.44Å; R606-E658 PolarHBondContact NH2-O 3.37Å; R606-E663 IonicContact CZ-OE1 2.63Å; R606-E663 IonicContact CZ-OE2 2.83Å; R606-E663 IonicContact NE-OE1 3.67Å; R606-E663 PolarHBondContact NE-OE1 3.23Å; R606-E663 IonicContact NE-OE2 2.7Å; R606-E663 VanDerWaalsContact NH2-CD 3.26Å; R606-E663 IonicContact NH2-OE1 2.7Å; R606-E663 PolarHBondContact NH2-OE1 3.46Å; R606-E663 VanDerWaalsContact NH2-OE1 3.08Å; R606-E663 IonicContact NH2-OE2 3.82Å; R606-E663 PolarHBondContact NH2-OE2 3.16Å; R606-R666 VanDerWaalsContact O-CZ 3.29Å; R606-R666 PolarHBondContact O-NH1 3.32Å; R606-R666 PolarHBondContact O-NH2 2.76Å
607	T	70.2	Confident	59.5	Low	74 Å²	74	92.5 Å²	92.5	45%	0.454	49%	0.485	S	S	.	.			trans	-64.8	158.4	170.1	63.2	0	0	0	0	109.2	Q605 K609 E610 L611	Q605-T607 PolarHBondContact O-N 3.11Å; T607-K609 PolarHBondContact O-N 2.99Å; T607-E610 VanDerWaalsContact CB-OE2 3.3Å; T607-E610 WeakPolarHBondContact CB-OE2 3.47Å; T607-E610 WeakPolarHBondContact CG2-OE2 3.37Å; T607-E610 PolarHBondContact N-OE2 2.88Å; T607-E610 PolarHBondContact O-N 3.16Å; T607-E610 VanDerWaalsContact O-N 3.11Å; T607-E610 VanDerWaalsContact OG1-CD 3.27Å; T607-E610 WeakPolarHBondContact OG1-CG 3.28Å; T607-E610 PolarHBondContact OG1-N 3.36Å; T607-E610 PolarHBondContact OG1-OE2 2.87Å; T607-L611 PolarHBondContact O-N 2.74Å
608	L	68.8	Low	61.8	Low	61 Å²	61	87.7 Å²	87.7	32%	0.319	45%	0.452	S	S	.	.	H	α-helix	trans	-55.8	-39.2	-179.8	-68.3	168.7	0	0	0	111.5	L611 E612 R666 L667	L608-L611 PolarHBondContact O-N 2.92Å; L608-E612 WeakPolarHBondContact O-CB 3.32Å; L608-E612 WeakPolarHBondContact O-CG 3.4Å; L608-E612 PolarHBondContact O-N 3.49Å; L608-R666 HydrophobicContact CD2-CB 4.01Å; L608-R666 WeakPolarHBondContact CD2-O 3.35Å; L608-L667 HydrophobicContact CD2-CB 4.2Å
609	K	72.3	Confident	63.9	Low	166 Å²	166	80.6 Å²	80.6	72%	0.722	42%	0.416	S	S	*	.	H	α-helix	trans	-64.3	-40.4	176.5	-66.2	-179.6	178.8	179.3	0	114.1	T607 L611 Q613	T607-K609 PolarHBondContact O-N 2.99Å; K609-L611 VanDerWaalsContact C-N 3.34Å; K609-Q613 WeakPolarHBondContact O-CB 3.46Å; K609-Q613 PolarHBondContact O-N 3.29Å
610	E	77.5	Confident	66.1	Low	101 Å²	101	79 Å²	79	47%	0.472	40%	0.403	S	S	.	.	H	α-helix	trans	-67.6	-39	176	-70.6	160.5	136.3	0	0	110.6	R606 T607 Q613 I614	R606-E610 HydrophobicContact CB-CB 4.35Å; T607-E610 VanDerWaalsContact CB-OE2 3.3Å; T607-E610 WeakPolarHBondContact CB-OE2 3.47Å; T607-E610 WeakPolarHBondContact CG2-OE2 3.37Å; T607-E610 PolarHBondContact N-OE2 2.88Å; T607-E610 PolarHBondContact O-N 3.16Å; T607-E610 VanDerWaalsContact O-N 3.11Å; T607-E610 VanDerWaalsContact OG1-CD 3.27Å; T607-E610 WeakPolarHBondContact OG1-CG 3.28Å; T607-E610 PolarHBondContact OG1-N 3.36Å; T607-E610 PolarHBondContact OG1-OE2 2.87Å; E610-Q613 PolarHBondContact O-N 2.84Å; E610-I614 WeakPolarHBondContact O-CB 3.36Å; E610-I614 WeakPolarHBondContact O-CD1 3.34Å; E610-I614 VanDerWaalsContact O-CG1 3.25Å; E610-I614 WeakPolarHBondContact O-CG1 3.32Å; E610-I614 PolarHBondContact O-N 3.33Å
611	L	77.2	Confident	68	Low	1 Å²	1	77.4 Å²	77.4	1%	0.005	39%	0.394	C	S	.	.	H	α-helix	trans	-68.3	-43.8	176	-173.3	65	0	0	0	112	T607 L608 K609 Q613 I614 I615 I659 E663 L667	T607-L611 PolarHBondContact O-N 2.74Å; L608-L611 PolarHBondContact O-N 2.92Å; K609-L611 VanDerWaalsContact C-N 3.34Å; L611-Q613 VanDerWaalsContact C-N 3.31Å; L611-Q613 PolarHBondContact O-N 3.05Å; L611-I614 PolarHBondContact O-N 3.36Å; L611-I615 HydrophobicContact CD1-CD1 4.12Å; L611-I615 HydrophobicContact CD1-CG1 4.49Å; L611-I615 HydrophobicContact CG-CD1 3.93Å; L611-I615 WeakPolarHBondContact O-CB 3.37Å; L611-I615 VanDerWaalsContact O-CG1 3.26Å; L611-I615 WeakPolarHBondContact O-CG1 3.5Å; L611-I615 PolarHBondContact O-N 3Å; L611-I659 HydrophobicContact CD1-CD1 3.94Å; L611-I659 HydrophobicContact CD1-CG1 4.02Å; L611-I659 HydrophobicContact CD1-CG2 4Å; L611-E663 HydrophobicContact CD1-CB 4.26Å; L611-E663 HydrophobicContact CD2-CB 3.76Å; L611-E663 HydrophobicContact CD2-CG 4.29Å; L611-L667 HydrophobicContact CB-CD1 4.4Å; L611-L667 HydrophobicContact CD2-CB 3.91Å; L611-L667 HydrophobicContact CD2-CD1 3.72Å; L611-L667 HydrophobicContact CD2-CG 4.46Å; L611-L667 HydrophobicContact CG-CD1 3.84Å
612	E	78.3	Confident	69.9	Low	47 Å²	47	73.5 Å²	73.5	22%	0.22	38%	0.375	C	S	.	.	H	α-helix	trans	-57.3	-43.9	172.6	-79.6	-164.7	124.3	0	0	111.5	L608 R616 L667 H687 F688	L608-E612 WeakPolarHBondContact O-CB 3.32Å; L608-E612 WeakPolarHBondContact O-CG 3.4Å; L608-E612 PolarHBondContact O-N 3.49Å; E612-R616 WeakPolarHBondContact O-CB 3.42Å; E612-R616 PolarHBondContact O-N 2.93Å; E612-L667 HydrophobicContact CG-CD1 4.31Å; E612-H687 IonicContact OE1-CD2 3.92Å; E612-H687 IonicContact OE1-NE2 2.72Å; E612-H687 PolarHBondContact OE1-NE2 3.1Å; E612-F688 HydrophobicContact CB-CE1 4.3Å; E612-F688 HydrophobicContact CG-CE1 4.19Å
613	Q	78.2	Confident	71.8	Confident	79 Å²	79	71.5 Å²	71.5	37%	0.369	36%	0.358	S	S	.	.	H	α-helix	trans	-68.1	-44.8	-179.2	-175.3	62.1	19.6	0	0	111.8	K609 E610 L611 I615 R616 E617	K609-Q613 WeakPolarHBondContact O-CB 3.46Å; K609-Q613 PolarHBondContact O-N 3.29Å; E610-Q613 PolarHBondContact O-N 2.84Å; L611-Q613 VanDerWaalsContact C-N 3.31Å; L611-Q613 PolarHBondContact O-N 3.05Å; Q613-I615 PolarHBondContact O-N 3.12Å; Q613-R616 WeakPolarHBondContact O-CB 3.46Å; Q613-R616 PolarHBondContact O-N 3.3Å; Q613-E617 WeakPolarHBondContact CG-OE1 3.47Å; Q613-E617 PolarHBondContact NE2-OE1 3.38Å; Q613-E617 WeakPolarHBondContact O-CB 3.37Å; Q613-E617 WeakPolarHBondContact O-CG 3.36Å; Q613-E617 PolarHBondContact O-N 3.08Å
614	I	78.9	Confident	73.4	Confident	44 Å²	44	72.1 Å²	72.1	23%	0.226	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-43.6	176.4	-70.9	164.5	0	0	0	111.1	E610 L611 E617 A618 I655	E610-I614 WeakPolarHBondContact O-CB 3.36Å; E610-I614 WeakPolarHBondContact O-CD1 3.34Å; E610-I614 VanDerWaalsContact O-CG1 3.25Å; E610-I614 WeakPolarHBondContact O-CG1 3.32Å; E610-I614 PolarHBondContact O-N 3.33Å; L611-I614 PolarHBondContact O-N 3.36Å; I614-E617 PolarHBondContact O-N 3Å; I614-A618 WeakPolarHBondContact O-CB 3.33Å; I614-A618 PolarHBondContact O-N 3.12Å; I614-I655 HydrophobicContact CG2-CG2 3.43Å; I614-I655 VanDerWaalsContact CG2-CG2 3.43Å
615	I	78.8	Confident	74.7	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-66.1	-39.4	176.6	-66.5	168.7	0	0	0	110.7	L611 Q613 A618 L619 L650 I659 L667 F684 F688	L611-I615 HydrophobicContact CD1-CD1 4.12Å; L611-I615 HydrophobicContact CD1-CG1 4.49Å; L611-I615 HydrophobicContact CG-CD1 3.93Å; L611-I615 WeakPolarHBondContact O-CB 3.37Å; L611-I615 VanDerWaalsContact O-CG1 3.26Å; L611-I615 WeakPolarHBondContact O-CG1 3.5Å; L611-I615 PolarHBondContact O-N 3Å; Q613-I615 PolarHBondContact O-N 3.12Å; I615-A618 PolarHBondContact O-N 3.05Å; I615-L619 HydrophobicContact CG2-CD1 3.66Å; I615-L619 HydrophobicContact CG2-CG 4.29Å; I615-L619 VanDerWaalsContact O-CB 3.27Å; I615-L619 WeakPolarHBondContact O-CB 3.4Å; I615-L619 VanDerWaalsContact O-CG 3.3Å; I615-L619 WeakPolarHBondContact O-CG 3.48Å; I615-L619 PolarHBondContact O-N 2.94Å; I615-L650 HydrophobicContact CD1-CD1 4.25Å; I615-L650 HydrophobicContact CG1-CD2 4.19Å; I615-L650 HydrophobicContact CG2-CD2 4.12Å; I615-I659 HydrophobicContact CD1-CD1 3.93Å; I615-I659 HydrophobicContact CG1-CD1 3.5Å; I615-I659 VanDerWaalsContact CG1-CD1 3.5Å; I615-L667 HydrophobicContact CD1-CD1 3.89Å; I615-F684 HydrophobicContact CG2-CZ 4.45Å; I615-F688 HydrophobicContact CB-CD1 4.17Å; I615-F688 HydrophobicContact CB-CE1 3.96Å; I615-F688 HydrophobicContact CB-CZ 4.21Å; I615-F688 HydrophobicContact CD1-CE1 4.44Å; I615-F688 HydrophobicContact CD1-CZ 4.17Å; I615-F688 HydrophobicContact CG2-CD1 3.85Å; I615-F688 HydrophobicContact CG2-CD2 3.75Å; I615-F688 HydrophobicContact CG2-CE1 3.76Å; I615-F688 HydrophobicContact CG2-CE2 3.65Å; I615-F688 HydrophobicContact CG2-CG 3.86Å; I615-F688 HydrophobicContact CG2-CZ 3.65Å
616	R	80.4	Confident	75.9	Confident	46 Å²	46	62.7 Å²	62.7	17%	0.174	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-41.5	173.9	161.6	174	-83.3	155.4	0.9	112.6	E612 Q613 K620 F688 Y690	E612-R616 WeakPolarHBondContact O-CB 3.42Å; E612-R616 PolarHBondContact O-N 2.93Å; Q613-R616 WeakPolarHBondContact O-CB 3.46Å; Q613-R616 PolarHBondContact O-N 3.3Å; R616-K620 WeakPolarHBondContact O-CB 3.46Å; R616-K620 WeakPolarHBondContact O-CG 3.24Å; R616-K620 PolarHBondContact O-N 3.04Å; R616-F688 HydrophobicContact CB-CB 4.39Å; R616-F688 PolarHBondContact NE-O 3.02Å; R616-F688 PolarHBondContact NH2-O 3.32Å; R616-Y690 PolarHBondContact NH2-O 3.02Å
617	E	77.4	Confident	76.9	Confident	101 Å²	101	64.2 Å²	64.2	47%	0.472	32%	0.317	S	S	.	.	H	α-helix	trans	-69.9	-42.1	178.6	-75.3	169	-176.1	0	0	111.9	Q613 I614 K620 S621	Q613-E617 WeakPolarHBondContact CG-OE1 3.47Å; Q613-E617 PolarHBondContact NE2-OE1 3.38Å; Q613-E617 WeakPolarHBondContact O-CB 3.37Å; Q613-E617 WeakPolarHBondContact O-CG 3.36Å; Q613-E617 PolarHBondContact O-N 3.08Å; I614-E617 PolarHBondContact O-N 3Å; E617-K620 PolarHBondContact O-N 3.38Å; E617-S621 WeakPolarHBondContact O-CB 3.4Å; E617-S621 PolarHBondContact O-N 2.85Å; E617-S621 VanDerWaalsContact O-N 3.09Å; E617-S621 PolarHBondContact O-OG 3.22Å
618	A	78.1	Confident	77.3	Confident	16 Å²	16	65.5 Å²	65.5	13%	0.132	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-46.1	173.8	0	0	0	0	0	112	I614 I615 S621 N622 I655	I614-A618 WeakPolarHBondContact O-CB 3.33Å; I614-A618 PolarHBondContact O-N 3.12Å; I615-A618 PolarHBondContact O-N 3.05Å; A618-S621 PolarHBondContact O-N 2.9Å; A618-N622 PolarHBondContact O-N 3.13Å; A618-I655 HydrophobicContact CB-CD1 3.56Å; A618-I655 HydrophobicContact CB-CG1 3.56Å
619	L	77.9	Confident	77.8	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-45.4	176.3	-78.8	166.4	0	0	0	111.9	I615 S621 N622 I623 I626 F684 F688 L689	I615-L619 HydrophobicContact CG2-CD1 3.66Å; I615-L619 HydrophobicContact CG2-CG 4.29Å; I615-L619 VanDerWaalsContact O-CB 3.27Å; I615-L619 WeakPolarHBondContact O-CB 3.4Å; I615-L619 VanDerWaalsContact O-CG 3.3Å; I615-L619 WeakPolarHBondContact O-CG 3.48Å; I615-L619 PolarHBondContact O-N 2.94Å; L619-S621 PolarHBondContact O-N 3.03Å; L619-N622 PolarHBondContact O-N 2.89Å; L619-I623 WeakPolarHBondContact O-CG1 3.21Å; L619-I623 PolarHBondContact O-N 3.03Å; L619-I623 VanDerWaalsContact O-N 3.17Å; L619-I626 HydrophobicContact CD2-CB 4.48Å; L619-I626 HydrophobicContact CD2-CD1 3.68Å; L619-I626 HydrophobicContact CD2-CG2 3.89Å; L619-I626 HydrophobicContact CG-CD1 4.32Å; L619-F684 HydrophobicContact CD1-CE1 4.11Å; L619-F684 HydrophobicContact CD1-CZ 3.98Å; L619-F684 HydrophobicContact CD2-CE1 3.85Å; L619-F684 HydrophobicContact CD2-CZ 4.28Å; L619-F688 HydrophobicContact CD1-CB 3.47Å; L619-F688 VanDerWaalsContact CD1-CB 3.47Å; L619-F688 HydrophobicContact CD1-CD2 3.45Å; L619-F688 VanDerWaalsContact CD1-CD2 3.45Å; L619-F688 HydrophobicContact CD1-CE2 4.42Å; L619-F688 HydrophobicContact CD1-CG 3.64Å; L619-L689 HydrophobicContact CB-CD2 4Å
620	K	76.7	Confident	78.2	Confident	102 Å²	102	57.6 Å²	57.6	44%	0.443	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-30	177.5	-79	-166.1	177.9	-149	0	113.1	R616 E617 L689	R616-K620 WeakPolarHBondContact O-CB 3.46Å; R616-K620 WeakPolarHBondContact O-CG 3.24Å; R616-K620 PolarHBondContact O-N 3.04Å; E617-K620 PolarHBondContact O-N 3.38Å; K620-L689 HydrophobicContact CG-CD2 3.73Å
621	S	74.3	Confident	78.4	Confident	90 Å²	90	58.1 Å²	58.1	63%	0.629	28%	0.283	S	S	*	.	H	α-helix	trans	-78.1	-44.9	178.2	-53.6	0	0	0	0	112.4	E617 A618 L619	E617-S621 WeakPolarHBondContact O-CB 3.4Å; E617-S621 PolarHBondContact O-N 2.85Å; E617-S621 VanDerWaalsContact O-N 3.09Å; E617-S621 PolarHBondContact O-OG 3.22Å; A618-S621 PolarHBondContact O-N 2.9Å; L619-S621 PolarHBondContact O-N 3.03Å
622	N	73.8	Confident	78.5	Confident	45 Å²	45	60.6 Å²	60.6	24%	0.241	29%	0.294	C	S	.	.	H	α-helix	trans	-120.7	32.2	-163.8	-64.9	42.3	0	0	0	113.4	A618 L619 H624 E625 I626	A618-N622 PolarHBondContact O-N 3.13Å; L619-N622 PolarHBondContact O-N 2.89Å; N622-H624 VanDerWaalsContact C-N 3.34Å; N622-H624 PolarHBondContact O-N 3.26Å; N622-E625 HydrophobicContact CB-CB 4.34Å; N622-E625 PolarHBondContact ND2-OE2 3.28Å; N622-E625 PolarHBondContact O-N 2.86Å; N622-E625 VanDerWaalsContact O-N 3.08Å; N622-I626 HydrophobicContact CB-CD1 4.17Å; N622-I626 HydrophobicContact CB-CG1 4.43Å; N622-I626 WeakPolarHBondContact O-CG1 3.42Å; N622-I626 PolarHBondContact O-N 3.32Å
623	I	79.3	Confident	78.4	Confident	59 Å²	59	60.4 Å²	60.4	30%	0.303	30%	0.295	S	S	.	.	H	α-helix	trans	-43.2	-56.4	-176.8	-57.6	178.2	0	0	0	111.9	L619 E625 I626 E627 M685 L689	L619-I623 WeakPolarHBondContact O-CG1 3.21Å; L619-I623 PolarHBondContact O-N 3.03Å; L619-I623 VanDerWaalsContact O-N 3.17Å; I623-E625 PolarHBondContact O-N 2.88Å; I623-I626 PolarHBondContact O-N 3.48Å; I623-E627 WeakPolarHBondContact O-CB 3.37Å; I623-E627 PolarHBondContact O-N 2.85Å; I623-M685 HydrophobicContact CG2-CE 3.9Å; I623-L689 HydrophobicContact CD1-CD1 4.43Å
624	H	76.6	Confident	78.5	Confident	137 Å²	137	57.1 Å²	57.1	63%	0.634	28%	0.279	S	S	*	.	H	α-helix	trans	-69.1	-31.2	-174.7	-60	-52.4	0	0	0	113.9	N622 E627 N628	N622-H624 VanDerWaalsContact C-N 3.34Å; N622-H624 PolarHBondContact O-N 3.26Å; H624-E627 IonicContact ND1-OE2 2.74Å; H624-N628 VanDerWaalsContact O-CB 3.3Å; H624-N628 WeakPolarHBondContact O-CB 3.45Å; H624-N628 PolarHBondContact O-N 3.25Å; H624-N628 PolarHBondContact O-ND2 2.95Å
625	E	78.2	Confident	78.2	Confident	111 Å²	111	60 Å²	60	52%	0.519	29%	0.292	S	S	.	.	H	α-helix	trans	-69.4	-41.8	175	-61.5	-172.1	157.1	0	0	110.7	N622 I623 K629	N622-E625 HydrophobicContact CB-CB 4.34Å; N622-E625 PolarHBondContact ND2-OE2 3.28Å; N622-E625 PolarHBondContact O-N 2.86Å; N622-E625 VanDerWaalsContact O-N 3.08Å; I623-E625 PolarHBondContact O-N 2.88Å; E625-K629 VanDerWaalsContact O-CB 3.31Å; E625-K629 WeakPolarHBondContact O-CB 3.45Å; E625-K629 VanDerWaalsContact O-CG 3.24Å; E625-K629 WeakPolarHBondContact O-CG 3.18Å; E625-K629 PolarHBondContact O-N 3.45Å
626	I	80.2	Confident	77.9	Confident	6 Å²	6	69 Å²	69	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-69.5	-39.1	-179.8	-67.1	168.4	0	0	0	110.7	L619 N622 I623 K629 F630 L649 F681	L619-I626 HydrophobicContact CD2-CB 4.48Å; L619-I626 HydrophobicContact CD2-CD1 3.68Å; L619-I626 HydrophobicContact CD2-CG2 3.89Å; L619-I626 HydrophobicContact CG-CD1 4.32Å; N622-I626 HydrophobicContact CB-CD1 4.17Å; N622-I626 HydrophobicContact CB-CG1 4.43Å; N622-I626 WeakPolarHBondContact O-CG1 3.42Å; N622-I626 PolarHBondContact O-N 3.32Å; I623-I626 PolarHBondContact O-N 3.48Å; I626-K629 PolarHBondContact O-N 2.8Å; I626-F630 WeakPolarHBondContact O-CB 3.43Å; I626-F630 PolarHBondContact O-N 2.83Å; I626-L649 HydrophobicContact CG2-CD1 4.04Å; I626-L649 HydrophobicContact CG2-CD2 3.87Å; I626-L649 HydrophobicContact CG2-CG 3.94Å; I626-L649 WeakPolarHBondContact O-CD1 3.44Å; I626-F681 HydrophobicContact CG2-CE2 4.3Å
627	E	81.3	Confident	77.2	Confident	57 Å²	57	73 Å²	73	27%	0.266	35%	0.352	S	S	.	.	H	α-helix	trans	-64.2	-49.1	173	-179.2	169.1	-142.2	0	0	112.1	I623 H624 K629 F630 Y631 F681	I623-E627 WeakPolarHBondContact O-CB 3.37Å; I623-E627 PolarHBondContact O-N 2.85Å; H624-E627 IonicContact ND1-OE2 2.74Å; E627-K629 VanDerWaalsContact C-N 3.31Å; E627-K629 PolarHBondContact O-N 3.42Å; E627-F630 WeakPolarHBondContact O-CB 3.4Å; E627-F630 PolarHBondContact O-N 3.06Å; E627-F630 VanDerWaalsContact O-N 3.16Å; E627-Y631 HydrophobicContact CG-CD2 4.14Å; E627-Y631 HydrophobicContact CG-CE2 3.61Å; E627-Y631 WeakPolarHBondContact O-CD2 3.35Å; E627-Y631 PolarHBondContact O-N 3.1Å; E627-Y631 VanDerWaalsContact O-N 3.08Å; E627-F681 HydrophobicContact CB-CE1 4.36Å; E627-F681 HydrophobicContact CB-CZ 4.22Å; E627-F681 HydrophobicContact CG-CE1 4.26Å
628	N	80.1	Confident	77.1	Confident	101 Å²	101	70.8 Å²	70.8	54%	0.54	35%	0.347	S	S	.	.	H	α-helix	trans	-59.2	-41.2	174.4	-75.4	-38.1	0	0	0	112	H624 Y631 E632	H624-N628 VanDerWaalsContact O-CB 3.3Å; H624-N628 WeakPolarHBondContact O-CB 3.45Å; H624-N628 PolarHBondContact O-N 3.25Å; H624-N628 PolarHBondContact O-ND2 2.95Å; N628-Y631 PolarHBondContact O-N 3.24Å; N628-E632 PolarHBondContact O-N 3.35Å
629	K	77.7	Confident	77	Confident	58 Å²	58	71.3 Å²	71.3	25%	0.252	35%	0.354	S	S	.	.	H	α-helix	trans	-72.9	-26.7	177.2	-70.7	-67.7	178.6	-146.9	0	113.6	E625 I626 E627 E632 L633 L649 V652	E625-K629 VanDerWaalsContact O-CB 3.31Å; E625-K629 WeakPolarHBondContact O-CB 3.45Å; E625-K629 VanDerWaalsContact O-CG 3.24Å; E625-K629 WeakPolarHBondContact O-CG 3.18Å; E625-K629 PolarHBondContact O-N 3.45Å; I626-K629 PolarHBondContact O-N 2.8Å; E627-K629 VanDerWaalsContact C-N 3.31Å; E627-K629 PolarHBondContact O-N 3.42Å; K629-E632 WeakPolarHBondContact CD-OE2 3.42Å; K629-E632 IonicContact NZ-OE1 2.71Å; K629-E632 PolarHBondContact NZ-OE1 2.94Å; K629-E632 IonicContact NZ-OE2 3.77Å; K629-E632 PolarHBondContact NZ-OE2 3.33Å; K629-L633 WeakPolarHBondContact O-CB 3.3Å; K629-L633 VanDerWaalsContact O-CG 3.24Å; K629-L633 WeakPolarHBondContact O-CG 3.29Å; K629-L633 PolarHBondContact O-N 2.84Å; K629-L633 VanDerWaalsContact O-N 3.12Å; K629-L649 HydrophobicContact CB-CD1 4.48Å; K629-V652 HydrophobicContact CD-CG1 4.01Å; K629-V652 HydrophobicContact CG-CG1 3.8Å
630	F	81.8	Confident	77.2	Confident	4 Å²	4	75.4 Å²	75.4	2%	0.018	37%	0.37	C	S	.	.	H	α-helix	trans	-63.1	-47.9	167.5	173.4	-107.8	0	0	0	110.5	I626 E627 E632 L633 D634 L641 L649 F681	I626-F630 WeakPolarHBondContact O-CB 3.43Å; I626-F630 PolarHBondContact O-N 2.83Å; E627-F630 WeakPolarHBondContact O-CB 3.4Å; E627-F630 PolarHBondContact O-N 3.06Å; E627-F630 VanDerWaalsContact O-N 3.16Å; F630-E632 VanDerWaalsContact C-N 3.33Å; F630-E632 PolarHBondContact O-N 2.88Å; F630-L633 CarbonylContact O-C 3.48Å; F630-L633 PolarHBondContact O-N 3.42Å; F630-D634 HydrophobicContact CD2-CB 4.46Å; F630-D634 HydrophobicContact CE1-CB 4.18Å; F630-D634 HydrophobicContact CE2-CB 3.86Å; F630-D634 HydrophobicContact CZ-CB 3.68Å; F630-D634 VanDerWaalsContact CZ-OD2 3.22Å; F630-D634 WeakPolarHBondContact CZ-OD2 3.18Å; F630-D634 WeakPolarHBondContact O-CB 3.3Å; F630-D634 PolarHBondContact O-N 3.15Å; F630-L641 HydrophobicContact CD2-CD2 3.7Å; F630-L641 HydrophobicContact CD2-CG 4.07Å; F630-L641 HydrophobicContact CE2-CD2 3.88Å; F630-L641 HydrophobicContact CE2-CG 3.94Å; F630-L649 HydrophobicContact CB-CD1 3.97Å; F630-F681 HydrophobicContact CB-CD1 4.45Å; F630-F681 HydrophobicContact CB-CD2 3.89Å; F630-F681 HydrophobicContact CB-CE1 4.27Å; F630-F681 HydrophobicContact CB-CE2 3.7Å; F630-F681 HydrophobicContact CB-CG 4.28Å; F630-F681 HydrophobicContact CB-CZ 3.91Å; F630-F681 HydrophobicContact CD1-CB 3.86Å; F630-F681 AromaticContact CD1-CD1 3.49Å; F630-F681 HydrophobicContact CD1-CD1 3.49Å; F630-F681 VanDerWaalsContact CD1-CD1 3.49Å; F630-F681 AromaticContact CD1-CD2 3.97Å; F630-F681 HydrophobicContact CD1-CD2 3.97Å; F630-F681 AromaticContact CD1-CE1 3.97Å; F630-F681 HydrophobicContact CD1-CE1 3.97Å; F630-F681 HydrophobicContact CD1-CE2 4.42Å; F630-F681 AromaticContact CD1-CG 3.49Å; F630-F681 HydrophobicContact CD1-CG 3.49Å; F630-F681 VanDerWaalsContact CD1-CG 3.49Å; F630-F681 HydrophobicContact CD1-CZ 4.42Å; F630-F681 HydrophobicContact CD2-CB 4.08Å; F630-F681 AromaticContact CD2-CD2 3.8Å; F630-F681 HydrophobicContact CD2-CD2 3.8Å; F630-F681 HydrophobicContact CD2-CE2 4.45Å; F630-F681 AromaticContact CD2-CG 3.97Å; F630-F681 HydrophobicContact CD2-CG 3.97Å; F630-F681 HydrophobicContact CE1-CB 3.62Å; F630-F681 AromaticContact CE1-CD1 3.95Å; F630-F681 HydrophobicContact CE1-CD1 3.95Å; F630-F681 AromaticContact CE1-CG 3.81Å; F630-F681 HydrophobicContact CE1-CG 3.81Å; F630-F681 HydrophobicContact CE2-CB 3.86Å; F630-F681 HydrophobicContact CE2-CD2 4.42Å; F630-F681 HydrophobicContact CE2-CG 4.25Å; F630-F681 HydrophobicContact CG-CB 4.09Å; F630-F681 AromaticContact CG-CD1 3.95Å; F630-F681 HydrophobicContact CG-CD1 3.95Å; F630-F681 AromaticContact CG-CD2 3.55Å; F630-F681 HydrophobicContact CG-CD2 3.55Å; F630-F681 HydrophobicContact CG-CE1 4.26Å; F630-F681 AromaticContact CG-CE2 3.91Å; F630-F681 HydrophobicContact CG-CE2 3.91Å; F630-F681 AromaticContact CG-CG 3.59Å; F630-F681 HydrophobicContact CG-CG 3.59Å; F630-F681 HydrophobicContact CG-CZ 4.25Å; F630-F681 HydrophobicContact CZ-CB 3.63Å; F630-F681 HydrophobicContact CZ-CG 4.19Å
631	Y	80.4	Confident	77.4	Confident	112 Å²	112	70.5 Å²	70.5	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-28.5	177.5	-66.2	-56.9	0	0	0	114.2	E627 N628	E627-Y631 HydrophobicContact CG-CD2 4.14Å; E627-Y631 HydrophobicContact CG-CE2 3.61Å; E627-Y631 WeakPolarHBondContact O-CD2 3.35Å; E627-Y631 PolarHBondContact O-N 3.1Å; E627-Y631 VanDerWaalsContact O-N 3.08Å; N628-Y631 PolarHBondContact O-N 3.24Å
632	E	79.6	Confident	77.8	Confident	52 Å²	52	69 Å²	69	24%	0.243	34%	0.335	C	S	.	.	H	α-helix	trans	-70.1	-31.8	169	-74.6	179.5	-146.5	0	0	113.5	N628 K629 F630	N628-E632 PolarHBondContact O-N 3.35Å; K629-E632 WeakPolarHBondContact CD-OE2 3.42Å; K629-E632 IonicContact NZ-OE1 2.71Å; K629-E632 PolarHBondContact NZ-OE1 2.94Å; K629-E632 IonicContact NZ-OE2 3.77Å; K629-E632 PolarHBondContact NZ-OE2 3.33Å; F630-E632 VanDerWaalsContact C-N 3.33Å; F630-E632 PolarHBondContact O-N 2.88Å
633	L	77.1	Confident	78.2	Confident	44 Å²	44	68.9 Å²	68.9	23%	0.23	33%	0.333	C	S	.	.	H	α-helix	trans	-88	-23.8	-179	-70.9	172.5	0	0	0	113.4	K629 F630 Q635 Q645 Q648 L649	K629-L633 WeakPolarHBondContact O-CB 3.3Å; K629-L633 VanDerWaalsContact O-CG 3.24Å; K629-L633 WeakPolarHBondContact O-CG 3.29Å; K629-L633 PolarHBondContact O-N 2.84Å; K629-L633 VanDerWaalsContact O-N 3.12Å; F630-L633 CarbonylContact O-C 3.48Å; F630-L633 PolarHBondContact O-N 3.42Å; L633-Q635 PolarHBondContact O-N 3Å; L633-Q645 PolarHBondContact O-NE2 2.93Å; L633-Q648 HydrophobicContact CD1-CB 4.14Å; L633-Q648 HydrophobicContact CD2-CB 4.45Å; L633-L649 HydrophobicContact CD1-CB 4.38Å; L633-L649 HydrophobicContact CD1-CD1 4.35Å
634	D	80.4	Confident	78.1	Confident	9 Å²	9	69.1 Å²	69.1	5%	0.048	33%	0.333	C	S	.	.			trans	-94.5	64.9	178.5	-170	14.5	0	0	0	111.4	F630 Y636 N637 S638 G639	F630-D634 HydrophobicContact CD2-CB 4.46Å; F630-D634 HydrophobicContact CE1-CB 4.18Å; F630-D634 HydrophobicContact CE2-CB 3.86Å; F630-D634 HydrophobicContact CZ-CB 3.68Å; F630-D634 VanDerWaalsContact CZ-OD2 3.22Å; F630-D634 WeakPolarHBondContact CZ-OD2 3.18Å; F630-D634 WeakPolarHBondContact O-CB 3.3Å; F630-D634 PolarHBondContact O-N 3.15Å; D634-Y636 PolarHBondContact O-N 3.22Å; D634-N637 PolarHBondContact O-N 2.8Å; D634-N637 PolarHBondContact OD1-N 2.96Å; D634-S638 WeakPolarHBondContact OD1-CB 3.2Å; D634-S638 PolarHBondContact OD1-N 3.13Å; D634-S638 PolarHBondContact OD1-OG 2.74Å; D634-S638 PolarHBondContact OD2-N 3.21Å; D634-S638 PolarHBondContact OD2-OG 2.69Å; D634-G639 PolarHBondContact OD2-N 2.91Å
635	Q	72.1	Confident	78.4	Confident	105 Å²	105	64.5 Å²	64.5	49%	0.491	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-13.7	-174.8	-48.4	-167.7	-6.5	0	0	114.5	I568 L633	I568-Q635 HydrophobicContact CD1-CB 4.05Å; I568-Q635 HydrophobicContact CD1-CG 3.52Å; L633-Q635 PolarHBondContact O-N 3Å
636	Y	72.1	Confident	78.7	Confident	191 Å²	191	59.2 Å²	59.2	75%	0.749	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	7.6	-179.3	-58.2	-75	0	0	0	113.2	D634 S638	D634-Y636 PolarHBondContact O-N 3.22Å; Y636-S638 PolarHBondContact O-N 3.15Å
637	N	66.7	Low	78.7	Confident	130 Å²	130	60.6 Å²	60.6	70%	0.695	29%	0.292	S	S	*	.			trans	48.3	41.9	-176	-167.8	33.6	0	0	0	112.8	D634 G639	D634-N637 PolarHBondContact O-N 2.8Å; D634-N637 PolarHBondContact OD1-N 2.96Å; N637-G639 VanDerWaalsContact C-N 3.32Å
638	S	76.2	Confident	78.6	Confident	54 Å²	54	61.7 Å²	61.7	38%	0.378	30%	0.297	S	S	.	.			trans	-78.6	-14.1	-173.5	70.4	0	0	0	0	114	D634 Y636 R640	D634-S638 WeakPolarHBondContact OD1-CB 3.2Å; D634-S638 PolarHBondContact OD1-N 3.13Å; D634-S638 PolarHBondContact OD1-OG 2.74Å; D634-S638 PolarHBondContact OD2-N 3.21Å; D634-S638 PolarHBondContact OD2-OG 2.69Å; Y636-S638 PolarHBondContact O-N 3.15Å; S638-R640 VanDerWaalsContact O-CD 3.28Å; S638-R640 WeakPolarHBondContact O-CD 3.46Å; S638-R640 VanDerWaalsContact O-CG 3.28Å; S638-R640 WeakPolarHBondContact O-CG 3.33Å; S638-R640 PolarHBondContact O-N 3.25Å; S638-R640 PolarHBondContact OG-N 3.36Å
639	G	75.8	Confident	78.6	Confident	27 Å²	27	57 Å²	57	28%	0.278	27%	0.272	S	S	.	.			trans	69.6	13	-174.1	0	0	0	0	0	113.8	D634 N637 S680 F681	D634-G639 PolarHBondContact OD2-N 2.91Å; N637-G639 VanDerWaalsContact C-N 3.32Å; G639-S680 VanDerWaalsContact O-CA 3.3Å; G639-S680 WeakPolarHBondContact O-CA 3.47Å; G639-F681 PolarHBondContact O-N 2.85Å
640	R	81.5	Confident	78.7	Confident	89 Å²	89	54.6 Å²	54.6	34%	0.336	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.5	-161.4	-71.3	157.8	-177.4	-78.2	-6.6	113.4	S638 D674 C678 L679	S638-R640 VanDerWaalsContact O-CD 3.28Å; S638-R640 WeakPolarHBondContact O-CD 3.46Å; S638-R640 VanDerWaalsContact O-CG 3.28Å; S638-R640 WeakPolarHBondContact O-CG 3.33Å; S638-R640 PolarHBondContact O-N 3.25Å; S638-R640 PolarHBondContact OG-N 3.36Å; R640-D674 IonicContact CZ-OD2 2.67Å; R640-D674 IonicContact NH1-OD2 3.79Å; R640-D674 PolarHBondContact NH1-OD2 3.48Å; R640-D674 IonicContact NH2-OD2 3.84Å; R640-D674 PolarHBondContact NH2-OD2 3.23Å; R640-C678 HydrophobicContact CB-CB 4Å; R640-C678 HydrophobicContact CG-CB 4.29Å; R640-L679 CarbonylContact C-O 3.56Å; R640-L679 WeakPolarHBondContact CA-O 3.39Å
641	L	80.8	Confident	78.4	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.7	169.9	-71.8	170.6	0	0	0	110.6	F630 Q645 L646 L649 W668 C678 L679 F681 F684	F630-L641 HydrophobicContact CD2-CD2 3.7Å; F630-L641 HydrophobicContact CD2-CG 4.07Å; F630-L641 HydrophobicContact CE2-CD2 3.88Å; F630-L641 HydrophobicContact CE2-CG 3.94Å; L641-Q645 HydrophobicContact CD2-CB 3.85Å; L641-L646 HydrophobicContact CD1-CD1 4.33Å; L641-L649 HydrophobicContact CD1-CD2 4.16Å; L641-W668 WeakPolarHBondContact O-CH2 3.22Å; L641-C678 CarbonylContact O-C 3.51Å; L641-C678 WeakPolarHBondContact O-CA 3.34Å; L641-L679 HydrophobicContact CB-CB 4.44Å; L641-L679 PolarHBondContact N-O 2.98Å; L641-L679 PolarHBondContact O-N 3.12Å; L641-F681 HydrophobicContact CD1-CD2 4.22Å; L641-F684 HydrophobicContact CD1-CB 4.28Å; L641-F684 HydrophobicContact CD1-CD1 4.25Å; L641-F684 HydrophobicContact CD1-CG 4.16Å
642	T	82.7	Confident	77.8	Confident	57 Å²	57	58.2 Å²	58.2	35%	0.35	29%	0.286	S	S	.	.			trans	-83.2	166.7	156.7	59.6	0	0	0	0	111.1	E644 Q645 L646 W668	T642-E644 PolarHBondContact O-N 2.89Å; T642-Q645 PolarHBondContact O-N 3.37Å; T642-Q645 WeakPolarHBondContact OG1-CG 3.29Å; T642-Q645 PolarHBondContact OG1-N 3.45Å; T642-Q645 PolarHBondContact OG1-OE1 2.62Å; T642-L646 PolarHBondContact O-N 2.75Å; T642-W668 VanDerWaalsContact C-CH2 3.5Å
643	Q	81	Confident	77.1	Confident	43 Å²	43	56.2 Å²	56.2	20%	0.201	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-31.3	-179.1	-155.7	-127.2	-71.7	0	0	113.4	Y647 I664 R665 W668	Q643-Y647 PolarHBondContact O-N 2.86Å; Q643-I664 HydrophobicContact CG-CG2 3.97Å; Q643-R665 VanDerWaalsContact OE1-CG 3.29Å; Q643-R665 VanDerWaalsContact OE1-NH1 3.16Å; Q643-W668 HydrophobicContact CB-CD2 4.24Å; Q643-W668 HydrophobicContact CB-CE3 4.24Å; Q643-W668 HydrophobicContact CB-CH2 4.34Å; Q643-W668 HydrophobicContact CB-CZ2 4.32Å; Q643-W668 HydrophobicContact CB-CZ3 4.29Å; Q643-W668 HydrophobicContact CG-CD2 3.85Å; Q643-W668 HydrophobicContact CG-CE3 3.85Å; Q643-W668 HydrophobicContact CG-CG 4.21Å; Q643-W668 HydrophobicContact CG-CZ3 4.36Å
644	E	78.8	Confident	76.4	Confident	65 Å²	65	60.2 Å²	60.2	30%	0.304	30%	0.3	S	S	.	.	H	α-helix	trans	-84.4	-34.3	177	-176.7	62.9	-162.4	0	0	112.2	T642 L646 Y647 Q648 R661	T642-E644 PolarHBondContact O-N 2.89Å; E644-L646 VanDerWaalsContact C-N 3.3Å; E644-L646 PolarHBondContact O-N 2.9Å; E644-Y647 WeakPolarHBondContact O-CB 3.47Å; E644-Y647 PolarHBondContact O-N 2.75Å; E644-Y647 WeakPolarHBondContact OE1-CD1 3.25Å; E644-Q648 WeakPolarHBondContact O-CG 3.39Å; E644-Q648 PolarHBondContact O-N 3.5Å; E644-R661 IonicContact OE1-CZ 3.24Å; E644-R661 IonicContact OE1-NE 3.76Å; E644-R661 PolarHBondContact OE1-NE 3.17Å; E644-R661 IonicContact OE1-NH2 2.68Å; E644-R661 PolarHBondContact OE1-NH2 2.72Å; E644-R661 IonicContact OE2-CZ 2.64Å; E644-R661 IonicContact OE2-NE 2.95Å; E644-R661 PolarHBondContact OE2-NE 2.87Å; E644-R661 IonicContact OE2-NH2 3.85Å
645	Q	82.3	Confident	75.7	Confident	40 Å²	40	60.6 Å²	60.6	19%	0.187	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-38.1	169.2	-77.3	164.8	-60.5	0	0	111.3	L633 L641 T642 Y647 Q648 L649	L633-Q645 PolarHBondContact O-NE2 2.93Å; L641-Q645 HydrophobicContact CD2-CB 3.85Å; T642-Q645 PolarHBondContact O-N 3.37Å; T642-Q645 WeakPolarHBondContact OG1-CG 3.29Å; T642-Q645 PolarHBondContact OG1-N 3.45Å; T642-Q645 PolarHBondContact OG1-OE1 2.62Å; Q645-Y647 VanDerWaalsContact C-N 3.34Å; Q645-Y647 PolarHBondContact O-N 3.14Å; Q645-Q648 PolarHBondContact O-N 3.32Å; Q645-L649 VanDerWaalsContact O-CB 3.32Å; Q645-L649 WeakPolarHBondContact O-CB 3.48Å; Q645-L649 PolarHBondContact O-N 3.48Å
646	L	83.4	Confident	74.9	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-37.4	173.2	177.9	58.8	0	0	0	112.1	L641 T642 E644 L649 L650 I664 W668 F671 F684	L641-L646 HydrophobicContact CD1-CD1 4.33Å; T642-L646 PolarHBondContact O-N 2.75Å; E644-L646 VanDerWaalsContact C-N 3.3Å; E644-L646 PolarHBondContact O-N 2.9Å; L646-L649 HydrophobicContact CD1-CD2 4.04Å; L646-L649 PolarHBondContact O-N 3.35Å; L646-L650 HydrophobicContact CD1-CD1 3.81Å; L646-L650 HydrophobicContact CD1-CG 3.85Å; L646-L650 HydrophobicContact CG-CD1 3.9Å; L646-L650 HydrophobicContact CG-CG 4.38Å; L646-L650 WeakPolarHBondContact O-CB 3.36Å; L646-L650 WeakPolarHBondContact O-CG 3.41Å; L646-L650 PolarHBondContact O-N 3.42Å; L646-I664 HydrophobicContact CD2-CG2 4.01Å; L646-I664 HydrophobicContact CG-CG2 4.39Å; L646-W668 HydrophobicContact CB-CZ3 3.96Å; L646-W668 HydrophobicContact CD2-CE3 3.88Å; L646-W668 HydrophobicContact CD2-CZ3 3.6Å; L646-W668 HydrophobicContact CG-CZ3 4.42Å; L646-F671 HydrophobicContact CD2-CE2 3.8Å; L646-F671 HydrophobicContact CD2-CZ 4.24Å; L646-F684 HydrophobicContact CD1-CD2 3.9Å; L646-F684 HydrophobicContact CD1-CE1 4.33Å; L646-F684 HydrophobicContact CD1-CE2 3.29Å; L646-F684 HydrophobicContact CD1-CZ 3.56Å; L646-F684 HydrophobicContact CD2-CD2 4.45Å; L646-F684 HydrophobicContact CD2-CE2 4.24Å; L646-F684 HydrophobicContact CG-CE2 4.43Å
647	Y	82.1	Confident	74.2	Confident	35 Å²	35	61.5 Å²	61.5	14%	0.137	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-42.7	172.6	173.8	-108.6	0	0	0	112.1	Q643 E644 Q645 K651 I659 R661 I664	Q643-Y647 PolarHBondContact O-N 2.86Å; E644-Y647 WeakPolarHBondContact O-CB 3.47Å; E644-Y647 PolarHBondContact O-N 2.75Å; E644-Y647 WeakPolarHBondContact OE1-CD1 3.25Å; Q645-Y647 VanDerWaalsContact C-N 3.34Å; Q645-Y647 PolarHBondContact O-N 3.14Å; Y647-K651 VanDerWaalsContact O-CB 3.22Å; Y647-K651 WeakPolarHBondContact O-CB 3.24Å; Y647-K651 PolarHBondContact O-N 3.39Å; Y647-I659 WeakPolarHBondContact CE2-O 3.47Å; Y647-R661 HydrophobicContact CD1-CG 4.07Å; Y647-R661 HydrophobicContact CD2-CG 3.69Å; Y647-R661 HydrophobicContact CE1-CG 4.21Å; Y647-R661 VanDerWaalsContact CE1-CZ 3.41Å; Y647-R661 VanDerWaalsContact CE1-NH2 3.34Å; Y647-R661 HydrophobicContact CE2-CG 3.84Å; Y647-R661 HydrophobicContact CG-CG 3.8Å; Y647-I664 VanDerWaalsContact CA-CD1 3.41Å; Y647-I664 HydrophobicContact CD2-CD1 3.8Å; Y647-I664 HydrophobicContact CG-CD1 4.19Å
648	Q	78.3	Confident	74.2	Confident	79 Å²	79	61.6 Å²	61.6	37%	0.369	31%	0.307	S	S	.	.	H	α-helix	trans	-65.4	-43.8	176.6	-68.2	171.8	15.1	0	0	111.7	L633 E644 Q645 K651 V652	L633-Q648 HydrophobicContact CD1-CB 4.14Å; L633-Q648 HydrophobicContact CD2-CB 4.45Å; E644-Q648 WeakPolarHBondContact O-CG 3.39Å; E644-Q648 PolarHBondContact O-N 3.5Å; Q645-Q648 PolarHBondContact O-N 3.32Å; Q648-K651 PolarHBondContact O-N 3.43Å; Q648-V652 WeakPolarHBondContact O-CG2 3.5Å; Q648-V652 PolarHBondContact O-N 2.97Å; Q648-V652 VanDerWaalsContact O-N 3.11Å
649	L	80.8	Confident	74	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-56.1	-54	174.9	-168.3	84.2	0	0	0	111.6	I626 K629 F630 L633 L641 Q645 L646 K651 V652 S653 F681 F684	I626-L649 HydrophobicContact CG2-CD1 4.04Å; I626-L649 HydrophobicContact CG2-CD2 3.87Å; I626-L649 HydrophobicContact CG2-CG 3.94Å; I626-L649 WeakPolarHBondContact O-CD1 3.44Å; K629-L649 HydrophobicContact CB-CD1 4.48Å; F630-L649 HydrophobicContact CB-CD1 3.97Å; L633-L649 HydrophobicContact CD1-CB 4.38Å; L633-L649 HydrophobicContact CD1-CD1 4.35Å; L641-L649 HydrophobicContact CD1-CD2 4.16Å; Q645-L649 VanDerWaalsContact O-CB 3.32Å; Q645-L649 WeakPolarHBondContact O-CB 3.48Å; Q645-L649 PolarHBondContact O-N 3.48Å; L646-L649 HydrophobicContact CD1-CD2 4.04Å; L646-L649 PolarHBondContact O-N 3.35Å; L649-K651 VanDerWaalsContact C-N 3.33Å; L649-K651 PolarHBondContact O-N 3.32Å; L649-V652 PolarHBondContact O-N 3.01Å; L649-S653 PolarHBondContact O-N 2.91Å; L649-F681 HydrophobicContact CD2-CE2 4.43Å; L649-F684 HydrophobicContact CD2-CD1 4.31Å; L649-F684 HydrophobicContact CD2-CE1 3.64Å; L649-F684 HydrophobicContact CD2-CZ 4.07Å
650	L	78.1	Confident	73.9	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-35.2	-179.8	-70.2	171	0	0	0	112.1	I615 L646 V652 S653 I655 I659 I664 F684	I615-L650 HydrophobicContact CD1-CD1 4.25Å; I615-L650 HydrophobicContact CG1-CD2 4.19Å; I615-L650 HydrophobicContact CG2-CD2 4.12Å; L646-L650 HydrophobicContact CD1-CD1 3.81Å; L646-L650 HydrophobicContact CD1-CG 3.85Å; L646-L650 HydrophobicContact CG-CD1 3.9Å; L646-L650 HydrophobicContact CG-CG 4.38Å; L646-L650 WeakPolarHBondContact O-CB 3.36Å; L646-L650 WeakPolarHBondContact O-CG 3.41Å; L646-L650 PolarHBondContact O-N 3.42Å; L650-V652 VanDerWaalsContact C-N 3.34Å; L650-V652 PolarHBondContact O-N 2.82Å; L650-S653 WeakPolarHBondContact CA-OG 3.26Å; L650-S653 PolarHBondContact O-N 2.63Å; L650-S653 PolarHBondContact O-OG 2.86Å; L650-I655 HydrophobicContact CD2-CD1 3.85Å; L650-I659 HydrophobicContact CB-CD1 4.47Å; L650-I659 HydrophobicContact CD1-CD1 4.1Å; L650-I659 HydrophobicContact CD1-CG2 4.49Å; L650-I659 HydrophobicContact CD2-CD1 4.31Å; L650-I664 HydrophobicContact CD1-CD1 3.91Å; L650-I664 HydrophobicContact CD1-CG1 4.16Å; L650-F684 HydrophobicContact CD2-CZ 4.35Å
651	K	76.2	Confident	73.5	Confident	121 Å²	121	60.6 Å²	60.6	53%	0.526	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-36.1	175.6	-178.1	169.5	-178.1	172.4	0	112.8	Y647 Q648 L649	Y647-K651 VanDerWaalsContact O-CB 3.22Å; Y647-K651 WeakPolarHBondContact O-CB 3.24Å; Y647-K651 PolarHBondContact O-N 3.39Å; Q648-K651 PolarHBondContact O-N 3.43Å; L649-K651 VanDerWaalsContact C-N 3.33Å; L649-K651 PolarHBondContact O-N 3.32Å
652	V	68.5	Low	72.9	Confident	71 Å²	71	60.7 Å²	60.7	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-72.6	-30	177.4	178.4	0	0	0	0	111.8	K629 Q648 L649 L650 N654	K629-V652 HydrophobicContact CD-CG1 4.01Å; K629-V652 HydrophobicContact CG-CG1 3.8Å; Q648-V652 WeakPolarHBondContact O-CG2 3.5Å; Q648-V652 PolarHBondContact O-N 2.97Å; Q648-V652 VanDerWaalsContact O-N 3.11Å; L649-V652 PolarHBondContact O-N 3.01Å; L650-V652 VanDerWaalsContact C-N 3.34Å; L650-V652 PolarHBondContact O-N 2.82Å; V652-N654 PolarHBondContact O-N 3.19Å
653	S	64.2	Low	72.7	Confident	10 Å²	10	58.6 Å²	58.6	7%	0.07	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	17.8	179.7	64.5	0	0	0	0	116.4	L649 L650 I655	L649-S653 PolarHBondContact O-N 2.91Å; L650-S653 WeakPolarHBondContact CA-OG 3.26Å; L650-S653 PolarHBondContact O-N 2.63Å; L650-S653 PolarHBondContact O-OG 2.86Å; S653-I655 PolarHBondContact O-N 3.4Å; S653-I655 WeakPolarHBondContact OG-CD1 3.34Å; S653-I655 WeakPolarHBondContact OG-CG1 3.25Å
654	N	63	Low	72.6	Confident	129 Å²	129	56.7 Å²	56.7	69%	0.69	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	23.8	172.4	-88.3	-28	0	0	0	116.4	V652 R656	V652-N654 PolarHBondContact O-N 3.19Å; N654-R656 PolarHBondContact O-N 2.85Å
655	I	64.6	Low	72.3	Confident	16 Å²	16	56.9 Å²	56.9	8%	0.082	27%	0.27	C	S	.	.			trans	-62.6	119.6	-179	-59.2	178	0	0	0	110.4	I614 A618 L650 S653 P657 E658 I659	I614-I655 HydrophobicContact CG2-CG2 3.43Å; I614-I655 VanDerWaalsContact CG2-CG2 3.43Å; A618-I655 HydrophobicContact CB-CD1 3.56Å; A618-I655 HydrophobicContact CB-CG1 3.56Å; L650-I655 HydrophobicContact CD2-CD1 3.85Å; S653-I655 PolarHBondContact O-N 3.4Å; S653-I655 WeakPolarHBondContact OG-CD1 3.34Å; S653-I655 WeakPolarHBondContact OG-CG1 3.25Å; I655-P657 CarbonylContact O-C 3.4Å; I655-E658 WeakPolarHBondContact O-CA 3.34Å; I655-E658 PolarHBondContact O-N 3.14Å; I655-I659 HydrophobicContact CD1-CD1 3.64Å; I655-I659 HydrophobicContact CD1-CG1 4.49Å; I655-I659 HydrophobicContact CG2-CD1 4.11Å; I655-I659 HydrophobicContact CG2-CG1 4.03Å
656	R	55.2	Low	71.8	Confident	225 Å²	225	59.2 Å²	59.2	85%	0.849	28%	0.278	S	S	*	.	S	Bend	trans	-110.4	130	174.5	-69.1	179.9	-179.7	158.5	2	110.4	N654	N654-R656 PolarHBondContact O-N 2.85Å
657	P	59.1	Low	71.5	Confident	91 Å²	91	59.3 Å²	59.3	59%	0.591	28%	0.278	S	S	*	.	S	Bend	cis	-71.1	151.7	-10.4	29.8	-32.2	0	0	0	111.8	R606 I655	R606-P657 PolarHBondContact NH1-O 3.44Å; I655-P657 CarbonylContact O-C 3.4Å
658	E	64.9	Low	71.3	Confident	131 Å²	131	59.1 Å²	59.1	61%	0.612	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-49.3	142.4	-176.6	-64.2	-171.3	163.5	0	0	112.1	R606 I655	R606-E658 PolarHBondContact NH2-O 3.37Å; I655-E658 WeakPolarHBondContact O-CA 3.34Å; I655-E658 PolarHBondContact O-N 3.14Å
659	I	72.1	Confident	71.2	Confident	11 Å²	11	60.3 Å²	60.3	6%	0.056	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-82.9	120	176.4	-62.7	178	0	0	0	109.1	L611 I615 Y647 L650 I655 E663 I664	L611-I659 HydrophobicContact CD1-CD1 3.94Å; L611-I659 HydrophobicContact CD1-CG1 4.02Å; L611-I659 HydrophobicContact CD1-CG2 4Å; I615-I659 HydrophobicContact CD1-CD1 3.93Å; I615-I659 HydrophobicContact CG1-CD1 3.5Å; I615-I659 VanDerWaalsContact CG1-CD1 3.5Å; Y647-I659 WeakPolarHBondContact CE2-O 3.47Å; L650-I659 HydrophobicContact CB-CD1 4.47Å; L650-I659 HydrophobicContact CD1-CD1 4.1Å; L650-I659 HydrophobicContact CD1-CG2 4.49Å; L650-I659 HydrophobicContact CD2-CD1 4.31Å; I655-I659 HydrophobicContact CD1-CD1 3.64Å; I655-I659 HydrophobicContact CD1-CG1 4.49Å; I655-I659 HydrophobicContact CG2-CD1 4.11Å; I655-I659 HydrophobicContact CG2-CG1 4.03Å; I659-E663 HydrophobicContact CG2-CB 3.92Å; I659-I664 HydrophobicContact CG2-CD1 4.14Å; I659-I664 HydrophobicContact CG2-CG1 3.69Å
660	T	73.8	Confident	70.9	Confident	65 Å²	65	63 Å²	63	40%	0.399	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-73.1	153.5	179.4	60.6	0	0	0	0	111.6	G662 E663 I664	T660-G662 PolarHBondContact O-N 2.9Å; T660-E663 WeakPolarHBondContact CB-OE2 3.48Å; T660-E663 PolarHBondContact N-OE2 2.86Å; T660-E663 WeakPolarHBondContact O-CB 3.36Å; T660-E663 PolarHBondContact O-N 2.97Å; T660-E663 WeakPolarHBondContact OG1-CB 3.48Å; T660-E663 VanDerWaalsContact OG1-CD 3.26Å; T660-E663 VanDerWaalsContact OG1-CG 3.3Å; T660-E663 WeakPolarHBondContact OG1-CG 3.25Å; T660-E663 PolarHBondContact OG1-N 3.4Å; T660-E663 VanDerWaalsContact OG1-N 3.12Å; T660-E663 PolarHBondContact OG1-OE2 3.42Å; T660-I664 PolarHBondContact O-N 3.28Å; T660-I664 VanDerWaalsContact O-N 3.15Å
661	R	73.6	Confident	70.7	Confident	74 Å²	74	63.4 Å²	63.4	28%	0.279	31%	0.306	S	S	.	.	H	α-helix	trans	-58.6	-32.2	172	-70.2	-175	176.5	106.8	-3.9	112.3	E644 Y647 I664 R665	E644-R661 IonicContact OE1-CZ 3.24Å; E644-R661 IonicContact OE1-NE 3.76Å; E644-R661 PolarHBondContact OE1-NE 3.17Å; E644-R661 IonicContact OE1-NH2 2.68Å; E644-R661 PolarHBondContact OE1-NH2 2.72Å; E644-R661 IonicContact OE2-CZ 2.64Å; E644-R661 IonicContact OE2-NE 2.95Å; E644-R661 PolarHBondContact OE2-NE 2.87Å; E644-R661 IonicContact OE2-NH2 3.85Å; Y647-R661 HydrophobicContact CD1-CG 4.07Å; Y647-R661 HydrophobicContact CD2-CG 3.69Å; Y647-R661 HydrophobicContact CE1-CG 4.21Å; Y647-R661 VanDerWaalsContact CE1-CZ 3.41Å; Y647-R661 VanDerWaalsContact CE1-NH2 3.34Å; Y647-R661 HydrophobicContact CE2-CG 3.84Å; Y647-R661 HydrophobicContact CG-CG 3.8Å; R661-I664 PolarHBondContact O-N 2.78Å; R661-R665 WeakPolarHBondContact O-CG 3.28Å; R661-R665 PolarHBondContact O-N 3.39Å
662	G	68.8	Low	70.4	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-39.3	172.6	0	0	0	0	0	114.1	N519 T660 R665 R666	N519-G662 WeakPolarHBondContact OD1-CA 3.37Å; T660-G662 PolarHBondContact O-N 2.9Å; G662-R665 PolarHBondContact O-N 3.47Å; G662-R666 WeakPolarHBondContact O-CG 3.28Å; G662-R666 PolarHBondContact O-N 3.19Å
663	E	77.8	Confident	70.6	Confident	13 Å²	13	61 Å²	61	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-41.7	172.1	-83	159.3	144.3	0	0	112	R606 L611 I659 T660 R665 R666 L667	R606-E663 IonicContact CZ-OE1 2.63Å; R606-E663 IonicContact CZ-OE2 2.83Å; R606-E663 IonicContact NE-OE1 3.67Å; R606-E663 PolarHBondContact NE-OE1 3.23Å; R606-E663 IonicContact NE-OE2 2.7Å; R606-E663 VanDerWaalsContact NH2-CD 3.26Å; R606-E663 IonicContact NH2-OE1 2.7Å; R606-E663 PolarHBondContact NH2-OE1 3.46Å; R606-E663 VanDerWaalsContact NH2-OE1 3.08Å; R606-E663 IonicContact NH2-OE2 3.82Å; R606-E663 PolarHBondContact NH2-OE2 3.16Å; L611-E663 HydrophobicContact CD1-CB 4.26Å; L611-E663 HydrophobicContact CD2-CB 3.76Å; L611-E663 HydrophobicContact CD2-CG 4.29Å; I659-E663 HydrophobicContact CG2-CB 3.92Å; T660-E663 WeakPolarHBondContact CB-OE2 3.48Å; T660-E663 PolarHBondContact N-OE2 2.86Å; T660-E663 WeakPolarHBondContact O-CB 3.36Å; T660-E663 PolarHBondContact O-N 2.97Å; T660-E663 WeakPolarHBondContact OG1-CB 3.48Å; T660-E663 VanDerWaalsContact OG1-CD 3.26Å; T660-E663 VanDerWaalsContact OG1-CG 3.3Å; T660-E663 WeakPolarHBondContact OG1-CG 3.25Å; T660-E663 PolarHBondContact OG1-N 3.4Å; T660-E663 VanDerWaalsContact OG1-N 3.12Å; T660-E663 PolarHBondContact OG1-OE2 3.42Å; E663-R665 PolarHBondContact O-N 3.28Å; E663-R666 PolarHBondContact O-N 3.29Å; E663-R666 IonicContact OE1-NH2 3.75Å; E663-L667 PolarHBondContact O-N 2.91Å
664	I	78.4	Confident	70.8	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-65.6	-39.1	174.9	-60.5	173.2	0	0	0	110.9	Q643 L646 Y647 L650 I659 T660 R661 R666 L667 W668	Q643-I664 HydrophobicContact CG-CG2 3.97Å; L646-I664 HydrophobicContact CD2-CG2 4.01Å; L646-I664 HydrophobicContact CG-CG2 4.39Å; Y647-I664 VanDerWaalsContact CA-CD1 3.41Å; Y647-I664 HydrophobicContact CD2-CD1 3.8Å; Y647-I664 HydrophobicContact CG-CD1 4.19Å; L650-I664 HydrophobicContact CD1-CD1 3.91Å; L650-I664 HydrophobicContact CD1-CG1 4.16Å; I659-I664 HydrophobicContact CG2-CD1 4.14Å; I659-I664 HydrophobicContact CG2-CG1 3.69Å; T660-I664 PolarHBondContact O-N 3.28Å; T660-I664 VanDerWaalsContact O-N 3.15Å; R661-I664 PolarHBondContact O-N 2.78Å; I664-R666 VanDerWaalsContact C-N 3.28Å; I664-R666 PolarHBondContact O-N 3.11Å; I664-L667 PolarHBondContact O-N 2.76Å; I664-W668 HydrophobicContact CG2-CE3 4.31Å; I664-W668 WeakPolarHBondContact O-CB 3.3Å; I664-W668 PolarHBondContact O-N 2.84Å
665	R	72.6	Confident	70.9	Confident	69 Å²	69	68 Å²	68	26%	0.26	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-31.1	173.3	-73.5	-175.1	81.2	95.8	-12.7	113.4	L523 D524 Q643 R661 G662 E663 P669	L523-R665 PolarHBondContact O-NH1 2.82Å; D524-R665 PolarHBondContact O-NH2 2.98Å; Q643-R665 VanDerWaalsContact OE1-CG 3.29Å; Q643-R665 VanDerWaalsContact OE1-NH1 3.16Å; R661-R665 WeakPolarHBondContact O-CG 3.28Å; R661-R665 PolarHBondContact O-N 3.39Å; G662-R665 PolarHBondContact O-N 3.47Å; E663-R665 PolarHBondContact O-N 3.28Å; R665-P669 WeakPolarHBondContact O-CD 3.27Å
666	R	72.1	Confident	71.1	Confident	90 Å²	90	75.5 Å²	75.5	34%	0.34	36%	0.356	S	S	.	.	H	α-helix	trans	-73.6	-32.9	174.6	-70.9	-170.7	-66.3	139.3	1.5	112.6	R606 L608 G662 E663 I664 P669	R606-R666 VanDerWaalsContact O-CZ 3.29Å; R606-R666 PolarHBondContact O-NH1 3.32Å; R606-R666 PolarHBondContact O-NH2 2.76Å; L608-R666 HydrophobicContact CD2-CB 4.01Å; L608-R666 WeakPolarHBondContact CD2-O 3.35Å; G662-R666 WeakPolarHBondContact O-CG 3.28Å; G662-R666 PolarHBondContact O-N 3.19Å; E663-R666 PolarHBondContact O-N 3.29Å; E663-R666 IonicContact OE1-NH2 3.75Å; I664-R666 VanDerWaalsContact C-N 3.28Å; I664-R666 PolarHBondContact O-N 3.11Å; R666-P669 WeakPolarHBondContact O-CD 3.41Å
667	L	77.5	Confident	71.8	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-92.2	-23.4	-177.1	-177	146.8	0	0	0	113.8	L608 L611 E612 I615 E663 I664 P669 E670 F671 F688	L608-L667 HydrophobicContact CD2-CB 4.2Å; L611-L667 HydrophobicContact CB-CD1 4.4Å; L611-L667 HydrophobicContact CD2-CB 3.91Å; L611-L667 HydrophobicContact CD2-CD1 3.72Å; L611-L667 HydrophobicContact CD2-CG 4.46Å; L611-L667 HydrophobicContact CG-CD1 3.84Å; E612-L667 HydrophobicContact CG-CD1 4.31Å; I615-L667 HydrophobicContact CD1-CD1 3.89Å; E663-L667 PolarHBondContact O-N 2.91Å; I664-L667 PolarHBondContact O-N 2.76Å; L667-P669 VanDerWaalsContact C-N 3.31Å; L667-E670 WeakPolarHBondContact O-CB 3.3Å; L667-E670 PolarHBondContact O-N 3.24Å; L667-F671 HydrophobicContact CD2-CD2 4.23Å; L667-F671 HydrophobicContact CD2-CE1 4.13Å; L667-F671 HydrophobicContact CD2-CE2 3.33Å; L667-F671 HydrophobicContact CD2-CZ 3.27Å; L667-F688 HydrophobicContact CD1-CE1 4.44Å; L667-F688 HydrophobicContact CD1-CZ 4.24Å; L667-F688 HydrophobicContact CD2-CZ 4.05Å
668	W	77.9	Confident	72.6	Confident	30 Å²	30	66.2 Å²	66.2	11%	0.114	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-52.6	-36.5	178	-161.7	-101.8	0	0	0	114.9	L641 T642 Q643 L646 I664 E670 F671 V673 H677 L679	L641-W668 WeakPolarHBondContact O-CH2 3.22Å; T642-W668 VanDerWaalsContact C-CH2 3.5Å; Q643-W668 HydrophobicContact CB-CD2 4.24Å; Q643-W668 HydrophobicContact CB-CE3 4.24Å; Q643-W668 HydrophobicContact CB-CH2 4.34Å; Q643-W668 HydrophobicContact CB-CZ2 4.32Å; Q643-W668 HydrophobicContact CB-CZ3 4.29Å; Q643-W668 HydrophobicContact CG-CD2 3.85Å; Q643-W668 HydrophobicContact CG-CE3 3.85Å; Q643-W668 HydrophobicContact CG-CG 4.21Å; Q643-W668 HydrophobicContact CG-CZ3 4.36Å; L646-W668 HydrophobicContact CB-CZ3 3.96Å; L646-W668 HydrophobicContact CD2-CE3 3.88Å; L646-W668 HydrophobicContact CD2-CZ3 3.6Å; L646-W668 HydrophobicContact CG-CZ3 4.42Å; I664-W668 HydrophobicContact CG2-CE3 4.31Å; I664-W668 WeakPolarHBondContact O-CB 3.3Å; I664-W668 PolarHBondContact O-N 2.84Å; W668-E670 PolarHBondContact O-N 2.91Å; W668-F671 HydrophobicContact CE3-CD2 4.16Å; W668-F671 HydrophobicContact CE3-CE2 4.2Å; W668-F671 PolarHBondContact O-N 3.02Å; W668-V673 HydrophobicContact CZ2-CG1 4.14Å; W668-H677 WeakPolarHBondContact CZ2-O 3.34Å; W668-L679 HydrophobicContact CH2-CB 3.73Å; W668-L679 HydrophobicContact CH2-CD2 4.47Å; W668-L679 HydrophobicContact CZ2-CB 4.14Å; W668-L679 HydrophobicContact CZ3-CB 4.32Å; W668-L679 HydrophobicContact CZ3-CD2 4.25Å
669	P	75.2	Confident	73.3	Confident	104 Å²	104	60 Å²	60	68%	0.675	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-69.3	-11.5	174.8	-20.3	34.5	0	0	0	115.4	R665 R666 L667 F671	R665-P669 WeakPolarHBondContact O-CD 3.27Å; R666-P669 WeakPolarHBondContact O-CD 3.41Å; L667-P669 VanDerWaalsContact C-N 3.31Å; P669-F671 VanDerWaalsContact C-N 3.31Å
670	E	74.6	Confident	73.7	Confident	60 Å²	60	61.8 Å²	61.8	28%	0.28	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-83.3	-10.1	178.4	-57.4	-171.5	118.9	0	0	112.6	L667 W668 H687	L667-E670 WeakPolarHBondContact O-CB 3.3Å; L667-E670 PolarHBondContact O-N 3.24Å; W668-E670 PolarHBondContact O-N 2.91Å; E670-H687 WeakPolarHBondContact CB-CE1 3.44Å; E670-H687 PolarHBondContact O-CE1 3.18Å
671	F	75.1	Confident	74	Confident	15 Å²	15	58.8 Å²	58.8	7%	0.066	28%	0.282	C	S	.	.	S	Bend	trans	-94.4	156.7	177.9	-60.6	-56.1	0	0	0	113.5	L646 L667 W668 P669 V673 L679 F684 H687 F688	L646-F671 HydrophobicContact CD2-CE2 3.8Å; L646-F671 HydrophobicContact CD2-CZ 4.24Å; L667-F671 HydrophobicContact CD2-CD2 4.23Å; L667-F671 HydrophobicContact CD2-CE1 4.13Å; L667-F671 HydrophobicContact CD2-CE2 3.33Å; L667-F671 HydrophobicContact CD2-CZ 3.27Å; W668-F671 HydrophobicContact CE3-CD2 4.16Å; W668-F671 HydrophobicContact CE3-CE2 4.2Å; W668-F671 PolarHBondContact O-N 3.02Å; P669-F671 VanDerWaalsContact C-N 3.31Å; F671-V673 HydrophobicContact CB-CG2 3.96Å; F671-V673 PolarHBondContact O-N 3.42Å; F671-L679 HydrophobicContact CB-CD1 3.8Å; F671-L679 HydrophobicContact CB-CD2 4.18Å; F671-L679 HydrophobicContact CD1-CD1 4.37Å; F671-L679 HydrophobicContact CD1-CD2 3.94Å; F671-L679 HydrophobicContact CD2-CD2 3.42Å; F671-L679 VanDerWaalsContact CD2-CD2 3.42Å; F671-L679 HydrophobicContact CE1-CD2 4.07Å; F671-L679 HydrophobicContact CE2-CD2 3.55Å; F671-L679 HydrophobicContact CG-CD1 4.07Å; F671-L679 HydrophobicContact CG-CD2 3.61Å; F671-L679 HydrophobicContact CG-CG 4.46Å; F671-L679 HydrophobicContact CZ-CD2 3.87Å; F671-F684 HydrophobicContact CE1-CD2 4.01Å; F671-F684 AromaticContact CZ-CD2 3.68Å; F671-F684 HydrophobicContact CZ-CD2 3.68Å; F671-F684 HydrophobicContact CZ-CE2 4.1Å; F671-H687 HydrophobicContact CD1-CB 4.13Å; F671-H687 AromaticContact CD1-CG 3.99Å; F671-H687 HydrophobicContact CE1-CB 4.08Å; F671-F688 AromaticContact CE1-CE2 3.53Å; F671-F688 HydrophobicContact CE1-CE2 3.53Å; F671-F688 AromaticContact CE1-CZ 3.79Å; F671-F688 HydrophobicContact CE1-CZ 3.79Å; F671-F688 AromaticContact CZ-CE2 3.63Å; F671-F688 HydrophobicContact CZ-CE2 3.63Å; F671-F688 AromaticContact CZ-CZ 3.79Å; F671-F688 HydrophobicContact CZ-CZ 3.79Å
672	F	68.6	Low	74.2	Confident	97 Å²	97	61.1 Å²	61.1	43%	0.425	30%	0.295	S	S	.	.			trans	-81.4	110.2	162.5	-61.9	-72.9	0	0	0	109.9	L679 E683 K701	F672-L679 WeakPolarHBondContact O-CD1 3.48Å; F672-E683 HydrophobicContact CB-CG 4.26Å; F672-E683 HydrophobicContact CD2-CG 4.46Å; F672-K701 HydrophobicContact CE2-CG 4.42Å; F672-K701 WeakPolarHBondContact CZ-O 3.22Å
673	V	73.5	Confident	74.5	Confident	44 Å²	44	61.6 Å²	61.6	27%	0.267	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-114.6	134	-174.6	-167.3	0	0	0	0	109.5	W668 F671 H677 C678	W668-V673 HydrophobicContact CZ2-CG1 4.14Å; F671-V673 HydrophobicContact CB-CG2 3.96Å; F671-V673 PolarHBondContact O-N 3.42Å; V673-H677 HydrophobicContact CG1-CB 4.43Å; V673-C678 VanDerWaalsContact CG1-C 3.46Å; V673-C678 WeakPolarHBondContact CG1-O 3.22Å
674	D	68	Low	74.7	Confident	86 Å²	86	61 Å²	61	46%	0.46	30%	0.295	S	S	.	.			trans	-69.2	168.2	-178.1	-99.9	8.8	0	0	0	113.1	R640 K676 H677 C678	R640-D674 IonicContact CZ-OD2 2.67Å; R640-D674 IonicContact NH1-OD2 3.79Å; R640-D674 PolarHBondContact NH1-OD2 3.48Å; R640-D674 IonicContact NH2-OD2 3.84Å; R640-D674 PolarHBondContact NH2-OD2 3.23Å; D674-K676 PolarHBondContact O-N 2.56Å; D674-H677 WeakPolarHBondContact O-CA 3.25Å; D674-H677 PolarHBondContact O-N 2.97Å; D674-C678 PolarHBondContact N-O 3.14Å
675	Q	66.1	Low	74.8	Confident	200 Å²	200	62.4 Å²	62.4	94%	0.935	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-22.2	177.2	-65.6	-178.9	-5.7	0	0	115.4	H677	Q675-H677 VanDerWaalsContact C-N 3.33Å
676	K	67.7	Low	74.8	Confident	175 Å²	175	63.2 Å²	63.2	76%	0.761	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	8.5	175.8	-66.5	-173.2	176	-176.5	0	113.8	D674 C678	D674-K676 PolarHBondContact O-N 2.56Å; K676-C678 VanDerWaalsContact C-N 3.26Å; K676-C678 PolarHBondContact O-N 2.78Å
677	H	69.8	Low	74.9	Confident	98 Å²	98	59.8 Å²	59.8	45%	0.454	29%	0.292	S	S	.	.	S	Bend	trans	54.8	35.4	-169.4	-64.8	-76.4	0	0	0	114.4	L525 W668 V673 D674 Q675	L525-H677 HydrophobicContact CD2-CB 3.96Å; W668-H677 WeakPolarHBondContact CZ2-O 3.34Å; V673-H677 HydrophobicContact CG1-CB 4.43Å; D674-H677 WeakPolarHBondContact O-CA 3.25Å; D674-H677 PolarHBondContact O-N 2.97Å; Q675-H677 VanDerWaalsContact C-N 3.33Å
678	C	76.8	Confident	74.8	Confident	22 Å²	22	59.8 Å²	59.8	15%	0.149	29%	0.292	C	S	.	.			trans	-108.9	138.4	170.4	-50.2	0	0	0	0	111.3	R640 L641 V673 D674 K676	R640-C678 HydrophobicContact CB-CB 4Å; R640-C678 HydrophobicContact CG-CB 4.29Å; L641-C678 CarbonylContact O-C 3.51Å; L641-C678 WeakPolarHBondContact O-CA 3.34Å; V673-C678 VanDerWaalsContact CG1-C 3.46Å; V673-C678 WeakPolarHBondContact CG1-O 3.22Å; D674-C678 PolarHBondContact N-O 3.14Å; K676-C678 VanDerWaalsContact C-N 3.26Å; K676-C678 PolarHBondContact O-N 2.78Å
679	L	79.7	Confident	74.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	140.3	173.1	174.2	56.1	0	0	0	109.5	R640 L641 W668 F671 F672 E683 F684	R640-L679 CarbonylContact C-O 3.56Å; R640-L679 WeakPolarHBondContact CA-O 3.39Å; L641-L679 HydrophobicContact CB-CB 4.44Å; L641-L679 PolarHBondContact N-O 2.98Å; L641-L679 PolarHBondContact O-N 3.12Å; W668-L679 HydrophobicContact CH2-CB 3.73Å; W668-L679 HydrophobicContact CH2-CD2 4.47Å; W668-L679 HydrophobicContact CZ2-CB 4.14Å; W668-L679 HydrophobicContact CZ3-CB 4.32Å; W668-L679 HydrophobicContact CZ3-CD2 4.25Å; F671-L679 HydrophobicContact CB-CD1 3.8Å; F671-L679 HydrophobicContact CB-CD2 4.18Å; F671-L679 HydrophobicContact CD1-CD1 4.37Å; F671-L679 HydrophobicContact CD1-CD2 3.94Å; F671-L679 HydrophobicContact CD2-CD2 3.42Å; F671-L679 VanDerWaalsContact CD2-CD2 3.42Å; F671-L679 HydrophobicContact CE1-CD2 4.07Å; F671-L679 HydrophobicContact CE2-CD2 3.55Å; F671-L679 HydrophobicContact CG-CD1 4.07Å; F671-L679 HydrophobicContact CG-CD2 3.61Å; F671-L679 HydrophobicContact CG-CG 4.46Å; F671-L679 HydrophobicContact CZ-CD2 3.87Å; F672-L679 WeakPolarHBondContact O-CD1 3.48Å; L679-E683 HydrophobicContact CD1-CB 4.09Å; L679-E683 HydrophobicContact CD1-CG 4.37Å; L679-F684 HydrophobicContact CD2-CB 3.75Å; L679-F684 HydrophobicContact CD2-CD2 4.03Å; L679-F684 HydrophobicContact CD2-CG 4.32Å; L679-F684 HydrophobicContact CG-CB 4.06Å
680	S	80.1	Confident	73.9	Confident	50 Å²	50	59.4 Å²	59.4	35%	0.35	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	142.8	170.7	74.1	0	0	0	0	110.9	G639 H682 E683 F684	G639-S680 VanDerWaalsContact O-CA 3.3Å; G639-S680 WeakPolarHBondContact O-CA 3.47Å; S680-H682 VanDerWaalsContact C-N 3.26Å; S680-H682 PolarHBondContact O-N 2.75Å; S680-E683 PolarHBondContact O-N 3.49Å; S680-E683 VanDerWaalsContact O-N 3.11Å; S680-E683 VanDerWaalsContact OG-CB 3.24Å; S680-E683 WeakPolarHBondContact OG-CB 3.38Å; S680-E683 PolarHBondContact OG-N 3.31Å; S680-F684 PolarHBondContact O-N 3.26Å
681	F	81.2	Confident	73.1	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-36.8	-179.3	179.8	-115.6	0	0	0	112.2	I626 E627 F630 G639 L641 L649 E683 F684 M685	I626-F681 HydrophobicContact CG2-CE2 4.3Å; E627-F681 HydrophobicContact CB-CE1 4.36Å; E627-F681 HydrophobicContact CB-CZ 4.22Å; E627-F681 HydrophobicContact CG-CE1 4.26Å; F630-F681 HydrophobicContact CB-CD1 4.45Å; F630-F681 HydrophobicContact CB-CD2 3.89Å; F630-F681 HydrophobicContact CB-CE1 4.27Å; F630-F681 HydrophobicContact CB-CE2 3.7Å; F630-F681 HydrophobicContact CB-CG 4.28Å; F630-F681 HydrophobicContact CB-CZ 3.91Å; F630-F681 HydrophobicContact CD1-CB 3.86Å; F630-F681 AromaticContact CD1-CD1 3.49Å; F630-F681 HydrophobicContact CD1-CD1 3.49Å; F630-F681 VanDerWaalsContact CD1-CD1 3.49Å; F630-F681 AromaticContact CD1-CD2 3.97Å; F630-F681 HydrophobicContact CD1-CD2 3.97Å; F630-F681 AromaticContact CD1-CE1 3.97Å; F630-F681 HydrophobicContact CD1-CE1 3.97Å; F630-F681 HydrophobicContact CD1-CE2 4.42Å; F630-F681 AromaticContact CD1-CG 3.49Å; F630-F681 HydrophobicContact CD1-CG 3.49Å; F630-F681 VanDerWaalsContact CD1-CG 3.49Å; F630-F681 HydrophobicContact CD1-CZ 4.42Å; F630-F681 HydrophobicContact CD2-CB 4.08Å; F630-F681 AromaticContact CD2-CD2 3.8Å; F630-F681 HydrophobicContact CD2-CD2 3.8Å; F630-F681 HydrophobicContact CD2-CE2 4.45Å; F630-F681 AromaticContact CD2-CG 3.97Å; F630-F681 HydrophobicContact CD2-CG 3.97Å; F630-F681 HydrophobicContact CE1-CB 3.62Å; F630-F681 AromaticContact CE1-CD1 3.95Å; F630-F681 HydrophobicContact CE1-CD1 3.95Å; F630-F681 AromaticContact CE1-CG 3.81Å; F630-F681 HydrophobicContact CE1-CG 3.81Å; F630-F681 HydrophobicContact CE2-CB 3.86Å; F630-F681 HydrophobicContact CE2-CD2 4.42Å; F630-F681 HydrophobicContact CE2-CG 4.25Å; F630-F681 HydrophobicContact CG-CB 4.09Å; F630-F681 AromaticContact CG-CD1 3.95Å; F630-F681 HydrophobicContact CG-CD1 3.95Å; F630-F681 AromaticContact CG-CD2 3.55Å; F630-F681 HydrophobicContact CG-CD2 3.55Å; F630-F681 HydrophobicContact CG-CE1 4.26Å; F630-F681 AromaticContact CG-CE2 3.91Å; F630-F681 HydrophobicContact CG-CE2 3.91Å; F630-F681 AromaticContact CG-CG 3.59Å; F630-F681 HydrophobicContact CG-CG 3.59Å; F630-F681 HydrophobicContact CG-CZ 4.25Å; F630-F681 HydrophobicContact CZ-CB 3.63Å; F630-F681 HydrophobicContact CZ-CG 4.19Å; G639-F681 PolarHBondContact O-N 2.85Å; L641-F681 HydrophobicContact CD1-CD2 4.22Å; L649-F681 HydrophobicContact CD2-CE2 4.43Å; F681-E683 PolarHBondContact O-N 3.15Å; F681-F684 HydrophobicContact CD2-CD1 4.13Å; F681-F684 HydrophobicContact CE2-CD1 4.16Å; F681-F684 WeakPolarHBondContact O-CB 3.24Å; F681-F684 PolarHBondContact O-N 3.44Å; F681-M685 HydrophobicContact CD1-CG 4.49Å; F681-M685 HydrophobicContact CD1-SD 3.98Å; F681-M685 HydrophobicContact CE1-CG 4.1Å; F681-M685 HydrophobicContact CE1-SD 3.35Å; F681-M685 WeakPolarHBondContact CE1-SD 3.3Å; F681-M685 HydrophobicContact CE2-CG 4.15Å; F681-M685 HydrophobicContact CE2-SD 4.41Å; F681-M685 HydrophobicContact CZ-CG 3.9Å; F681-M685 HydrophobicContact CZ-SD 3.6Å; F681-M685 VanDerWaalsContact CZ-SD 3.6Å; F681-M685 WeakPolarHBondContact O-CG 3.27Å; F681-M685 PolarHBondContact O-N 2.92Å
682	H	75.9	Confident	72.2	Confident	122 Å²	122	67 Å²	67	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-65.9	-35.7	174.9	-61.3	-56.1	0	0	0	113.3	S680 R686	S680-H682 VanDerWaalsContact C-N 3.26Å; S680-H682 PolarHBondContact O-N 2.75Å; H682-R686 WeakPolarHBondContact O-CB 3.27Å; H682-R686 PolarHBondContact O-N 3.28Å
683	E	76.8	Confident	71.5	Confident	11 Å²	11	67.3 Å²	67.3	5%	0.051	32%	0.324	C	S	.	.	H	α-helix	trans	-74.7	-34.8	176.4	-166.2	60.2	-147	0	0	111.6	F672 L679 S680 F681 R686 H687	F672-E683 HydrophobicContact CB-CG 4.26Å; F672-E683 HydrophobicContact CD2-CG 4.46Å; L679-E683 HydrophobicContact CD1-CB 4.09Å; L679-E683 HydrophobicContact CD1-CG 4.37Å; S680-E683 PolarHBondContact O-N 3.49Å; S680-E683 VanDerWaalsContact O-N 3.11Å; S680-E683 VanDerWaalsContact OG-CB 3.24Å; S680-E683 WeakPolarHBondContact OG-CB 3.38Å; S680-E683 PolarHBondContact OG-N 3.31Å; F681-E683 PolarHBondContact O-N 3.15Å; E683-R686 PolarHBondContact O-N 2.94Å; E683-R686 WeakPolarHBondContact OE2-CD 3.25Å; E683-R686 IonicContact OE2-CZ 2.78Å; E683-R686 IonicContact OE2-NE 3.17Å; E683-R686 IonicContact OE2-NH1 2.69Å; E683-R686 PolarHBondContact OE2-NH1 3.42Å; E683-H687 WeakPolarHBondContact O-CB 3.4Å; E683-H687 PolarHBondContact O-N 3.21Å
684	F	81.8	Confident	70.6	Confident	1 Å²	1	69.9 Å²	69.9	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-56.7	-53.4	167.8	172.3	-106.3	0	0	0	111.5	I615 L619 L641 L646 L649 L650 F671 L679 S680 F681 R686 H687 F688	I615-F684 HydrophobicContact CG2-CZ 4.45Å; L619-F684 HydrophobicContact CD1-CE1 4.11Å; L619-F684 HydrophobicContact CD1-CZ 3.98Å; L619-F684 HydrophobicContact CD2-CE1 3.85Å; L619-F684 HydrophobicContact CD2-CZ 4.28Å; L641-F684 HydrophobicContact CD1-CB 4.28Å; L641-F684 HydrophobicContact CD1-CD1 4.25Å; L641-F684 HydrophobicContact CD1-CG 4.16Å; L646-F684 HydrophobicContact CD1-CD2 3.9Å; L646-F684 HydrophobicContact CD1-CE1 4.33Å; L646-F684 HydrophobicContact CD1-CE2 3.29Å; L646-F684 HydrophobicContact CD1-CZ 3.56Å; L646-F684 HydrophobicContact CD2-CD2 4.45Å; L646-F684 HydrophobicContact CD2-CE2 4.24Å; L646-F684 HydrophobicContact CG-CE2 4.43Å; L649-F684 HydrophobicContact CD2-CD1 4.31Å; L649-F684 HydrophobicContact CD2-CE1 3.64Å; L649-F684 HydrophobicContact CD2-CZ 4.07Å; L650-F684 HydrophobicContact CD2-CZ 4.35Å; F671-F684 HydrophobicContact CE1-CD2 4.01Å; F671-F684 AromaticContact CZ-CD2 3.68Å; F671-F684 HydrophobicContact CZ-CD2 3.68Å; F671-F684 HydrophobicContact CZ-CE2 4.1Å; L679-F684 HydrophobicContact CD2-CB 3.75Å; L679-F684 HydrophobicContact CD2-CD2 4.03Å; L679-F684 HydrophobicContact CD2-CG 4.32Å; L679-F684 HydrophobicContact CG-CB 4.06Å; S680-F684 PolarHBondContact O-N 3.26Å; F681-F684 HydrophobicContact CD2-CD1 4.13Å; F681-F684 HydrophobicContact CE2-CD1 4.16Å; F681-F684 WeakPolarHBondContact O-CB 3.24Å; F681-F684 PolarHBondContact O-N 3.44Å; F684-R686 PolarHBondContact O-N 2.83Å; F684-H687 PolarHBondContact O-N 3.36Å; F684-F688 HydrophobicContact CD2-CD2 4.15Å; F684-F688 AromaticContact CD2-CE2 3.69Å; F684-F688 HydrophobicContact CD2-CE2 3.69Å; F684-F688 AromaticContact CE2-CD2 3.93Å; F684-F688 HydrophobicContact CE2-CD2 3.93Å; F684-F688 AromaticContact CE2-CE2 3.42Å; F684-F688 HydrophobicContact CE2-CE2 3.42Å; F684-F688 VanDerWaalsContact CE2-CE2 3.42Å; F684-F688 HydrophobicContact CE2-CZ 4.46Å; F684-F688 HydrophobicContact CZ-CD2 4.37Å; F684-F688 HydrophobicContact CZ-CE2 4.23Å; F684-F688 VanDerWaalsContact O-CD2 3.29Å; F684-F688 WeakPolarHBondContact O-CD2 3.36Å
685	M	79.5	Confident	69.8	Low	32 Å²	32	66.6 Å²	66.6	16%	0.158	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-44.5	176	-71.5	-175.2	81	0	0	111.9	I623 F681 H687 F688 L689	I623-M685 HydrophobicContact CG2-CE 3.9Å; F681-M685 HydrophobicContact CD1-CG 4.49Å; F681-M685 HydrophobicContact CD1-SD 3.98Å; F681-M685 HydrophobicContact CE1-CG 4.1Å; F681-M685 HydrophobicContact CE1-SD 3.35Å; F681-M685 WeakPolarHBondContact CE1-SD 3.3Å; F681-M685 HydrophobicContact CE2-CG 4.15Å; F681-M685 HydrophobicContact CE2-SD 4.41Å; F681-M685 HydrophobicContact CZ-CG 3.9Å; F681-M685 HydrophobicContact CZ-SD 3.6Å; F681-M685 VanDerWaalsContact CZ-SD 3.6Å; F681-M685 WeakPolarHBondContact O-CG 3.27Å; F681-M685 PolarHBondContact O-N 2.92Å; M685-H687 PolarHBondContact O-N 2.83Å; M685-F688 PolarHBondContact O-N 2.87Å; M685-L689 HydrophobicContact CB-CD1 4.36Å; M685-L689 HydrophobicContact CE-CD1 3.79Å; M685-L689 VanDerWaalsContact O-CB 3.32Å; M685-L689 WeakPolarHBondContact O-CB 3.44Å; M685-L689 PolarHBondContact O-N 3.3Å
686	R	73.6	Confident	69	Low	86 Å²	86	60.9 Å²	60.9	33%	0.325	31%	0.305	S	S	.	.	H	α-helix	trans	-59.4	-44.2	178.8	-178	-177.5	-76.2	154.5	-12.7	111.5	H682 E683 F684 F688 Y690 P704	H682-R686 WeakPolarHBondContact O-CB 3.27Å; H682-R686 PolarHBondContact O-N 3.28Å; E683-R686 PolarHBondContact O-N 2.94Å; E683-R686 WeakPolarHBondContact OE2-CD 3.25Å; E683-R686 IonicContact OE2-CZ 2.78Å; E683-R686 IonicContact OE2-NE 3.17Å; E683-R686 IonicContact OE2-NH1 2.69Å; E683-R686 PolarHBondContact OE2-NH1 3.42Å; F684-R686 PolarHBondContact O-N 2.83Å; R686-F688 VanDerWaalsContact C-N 3.31Å; R686-F688 PolarHBondContact O-N 3.16Å; R686-Y690 WeakPolarHBondContact O-CB 3.3Å; R686-Y690 PolarHBondContact O-N 3.24Å; R686-P704 VanDerWaalsContact NH1-CB 3.29Å
687	H	73.9	Confident	68.3	Low	18 Å²	18	58.5 Å²	58.5	8%	0.083	29%	0.292	C	S	.	.	H	α-helix	trans	-59	-40.1	-177.4	-172.7	103.9	0	0	0	112.8	E612 E670 F671 E683 F684 M685 K701	E612-H687 IonicContact OE1-CD2 3.92Å; E612-H687 IonicContact OE1-NE2 2.72Å; E612-H687 PolarHBondContact OE1-NE2 3.1Å; E670-H687 WeakPolarHBondContact CB-CE1 3.44Å; E670-H687 PolarHBondContact O-CE1 3.18Å; F671-H687 HydrophobicContact CD1-CB 4.13Å; F671-H687 AromaticContact CD1-CG 3.99Å; F671-H687 HydrophobicContact CE1-CB 4.08Å; E683-H687 WeakPolarHBondContact O-CB 3.4Å; E683-H687 PolarHBondContact O-N 3.21Å; F684-H687 PolarHBondContact O-N 3.36Å; M685-H687 PolarHBondContact O-N 2.83Å; H687-K701 PolarHBondContact CE1-NZ 3.49Å; H687-K701 VanDerWaalsContact CE1-NZ 3.26Å; H687-K701 WeakPolarHBondContact ND1-CE 3.29Å; H687-K701 PolarHBondContact ND1-NZ 3.31Å
688	F	74.4	Confident	67.4	Low	2 Å²	2	57.5 Å²	57.5	1%	0.009	29%	0.294	C	S	.	.	H	α-helix	trans	-94.1	-44.3	-178	-61.9	-69.9	0	0	0	114.5	E612 I615 R616 L619 L667 F671 F684 M685 R686	E612-F688 HydrophobicContact CB-CE1 4.3Å; E612-F688 HydrophobicContact CG-CE1 4.19Å; I615-F688 HydrophobicContact CB-CD1 4.17Å; I615-F688 HydrophobicContact CB-CE1 3.96Å; I615-F688 HydrophobicContact CB-CZ 4.21Å; I615-F688 HydrophobicContact CD1-CE1 4.44Å; I615-F688 HydrophobicContact CD1-CZ 4.17Å; I615-F688 HydrophobicContact CG2-CD1 3.85Å; I615-F688 HydrophobicContact CG2-CD2 3.75Å; I615-F688 HydrophobicContact CG2-CE1 3.76Å; I615-F688 HydrophobicContact CG2-CE2 3.65Å; I615-F688 HydrophobicContact CG2-CG 3.86Å; I615-F688 HydrophobicContact CG2-CZ 3.65Å; R616-F688 HydrophobicContact CB-CB 4.39Å; R616-F688 PolarHBondContact NE-O 3.02Å; R616-F688 PolarHBondContact NH2-O 3.32Å; L619-F688 HydrophobicContact CD1-CB 3.47Å; L619-F688 VanDerWaalsContact CD1-CB 3.47Å; L619-F688 HydrophobicContact CD1-CD2 3.45Å; L619-F688 VanDerWaalsContact CD1-CD2 3.45Å; L619-F688 HydrophobicContact CD1-CE2 4.42Å; L619-F688 HydrophobicContact CD1-CG 3.64Å; L667-F688 HydrophobicContact CD1-CE1 4.44Å; L667-F688 HydrophobicContact CD1-CZ 4.24Å; L667-F688 HydrophobicContact CD2-CZ 4.05Å; F671-F688 AromaticContact CE1-CE2 3.53Å; F671-F688 HydrophobicContact CE1-CE2 3.53Å; F671-F688 AromaticContact CE1-CZ 3.79Å; F671-F688 HydrophobicContact CE1-CZ 3.79Å; F671-F688 AromaticContact CZ-CE2 3.63Å; F671-F688 HydrophobicContact CZ-CE2 3.63Å; F671-F688 AromaticContact CZ-CZ 3.79Å; F671-F688 HydrophobicContact CZ-CZ 3.79Å; F684-F688 HydrophobicContact CD2-CD2 4.15Å; F684-F688 AromaticContact CD2-CE2 3.69Å; F684-F688 HydrophobicContact CD2-CE2 3.69Å; F684-F688 AromaticContact CE2-CD2 3.93Å; F684-F688 HydrophobicContact CE2-CD2 3.93Å; F684-F688 AromaticContact CE2-CE2 3.42Å; F684-F688 HydrophobicContact CE2-CE2 3.42Å; F684-F688 VanDerWaalsContact CE2-CE2 3.42Å; F684-F688 HydrophobicContact CE2-CZ 4.46Å; F684-F688 HydrophobicContact CZ-CD2 4.37Å; F684-F688 HydrophobicContact CZ-CE2 4.23Å; F684-F688 VanDerWaalsContact O-CD2 3.29Å; F684-F688 WeakPolarHBondContact O-CD2 3.36Å; M685-F688 PolarHBondContact O-N 2.87Å; R686-F688 VanDerWaalsContact C-N 3.31Å; R686-F688 PolarHBondContact O-N 3.16Å
689	L	70.5	Confident	66.2	Low	41 Å²	41	62.7 Å²	62.7	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-75.4	-31.9	-174.5	-64.3	176.7	0	0	0	111.9	L619 K620 I623 M685	L619-L689 HydrophobicContact CB-CD2 4Å; K620-L689 HydrophobicContact CG-CD2 3.73Å; I623-L689 HydrophobicContact CD1-CD1 4.43Å; M685-L689 HydrophobicContact CB-CD1 4.36Å; M685-L689 HydrophobicContact CE-CD1 3.79Å; M685-L689 VanDerWaalsContact O-CB 3.32Å; M685-L689 WeakPolarHBondContact O-CB 3.44Å; M685-L689 PolarHBondContact O-N 3.3Å
690	Y	64.4	Low	65	Low	86 Å²	86	63.4 Å²	63.4	34%	0.337	33%	0.327	S	S	.	.			trans	-78.3	132.3	178.6	-160.8	-116.4	0	0	0	111.9	R616 R686 A695	R616-Y690 PolarHBondContact NH2-O 3.02Å; R686-Y690 WeakPolarHBondContact O-CB 3.3Å; R686-Y690 PolarHBondContact O-N 3.24Å; Y690-A695 HydrophobicContact CE1-CB 3.58Å; Y690-A695 HydrophobicContact CE2-CB 4.13Å; Y690-A695 WeakPolarHBondContact OH-CA 3.23Å; Y690-A695 WeakPolarHBondContact OH-CB 3.47Å
691	R	58.6	Low	63.3	Low	104 Å²	104	64.2 Å²	64.2	39%	0.392	32%	0.324	S	S	.	.			trans	-111.9	144.9	165.5	-76.6	164	146.1	-170.6	-5.3	109.7	S693 E694 A695	R691-S693 PolarHBondContact O-N 3.08Å; R691-S693 VanDerWaalsContact O-N 3.09Å; R691-E694 HydrophobicContact CB-CB 4.16Å; R691-E694 HydrophobicContact CB-CG 4.19Å; R691-E694 WeakPolarHBondContact CD-OE1 3.42Å; R691-E694 WeakPolarHBondContact CD-OE2 3.4Å; R691-E694 IonicContact CZ-OE1 2.66Å; R691-E694 IonicContact NE-OE1 2.68Å; R691-E694 IonicContact NH1-OE1 3.47Å; R691-E694 PolarHBondContact NH1-OE1 2.93Å; R691-E694 CarbonylContact O-C 3.35Å; R691-E694 WeakPolarHBondContact O-CA 3.36Å; R691-E694 PolarHBondContact O-N 2.79Å; R691-A695 PolarHBondContact O-N 3.02Å; R691-A695 VanDerWaalsContact O-N 3.17Å
692	K	55.9	Low	61.8	Low	130 Å²	130	72 Å²	72	57%	0.565	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.3	173.8	-71.7	-171.6	173.8	-171.9	0	114.2
693	S	53.2	Low	60.7	Low	103 Å²	103	70.9 Å²	70.9	72%	0.72	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-17.9	172.3	56.1	0	0	0	0	113.9	R691	R691-S693 PolarHBondContact O-N 3.08Å; R691-S693 VanDerWaalsContact O-N 3.09Å
694	E	55.2	Low	59.4	Low	99 Å²	99	72.2 Å²	72.2	46%	0.463	37%	0.369	S	S	.	.	S	Bend	trans	-103.5	10.7	177.1	-67	154.9	-158	0	0	109.8	R691	R691-E694 HydrophobicContact CB-CB 4.16Å; R691-E694 HydrophobicContact CB-CG 4.19Å; R691-E694 WeakPolarHBondContact CD-OE1 3.42Å; R691-E694 WeakPolarHBondContact CD-OE2 3.4Å; R691-E694 IonicContact CZ-OE1 2.66Å; R691-E694 IonicContact NE-OE1 2.68Å; R691-E694 IonicContact NH1-OE1 3.47Å; R691-E694 PolarHBondContact NH1-OE1 2.93Å; R691-E694 CarbonylContact O-C 3.35Å; R691-E694 WeakPolarHBondContact O-CA 3.36Å; R691-E694 PolarHBondContact O-N 2.79Å
695	A	51.6	Low	57.8	Low	17 Å²	17	74 Å²	74	14%	0.14	38%	0.381	C	S	.	.			trans	-95.6	122.1	-176.5	0	0	0	0	0	111.1	Y690 R691 Y697	Y690-A695 HydrophobicContact CE1-CB 3.58Å; Y690-A695 HydrophobicContact CE2-CB 4.13Å; Y690-A695 WeakPolarHBondContact OH-CA 3.23Å; Y690-A695 WeakPolarHBondContact OH-CB 3.47Å; R691-A695 PolarHBondContact O-N 3.02Å; R691-A695 VanDerWaalsContact O-N 3.17Å; A695-Y697 PolarHBondContact O-N 3.26Å
696	A	48.4	Very low	56.5	Low	80 Å²	80	81.6 Å²	81.6	66%	0.661	41%	0.408	S	S	*	.	S	Bend	trans	-59	-33.1	165.3	0	0	0	0	0	111.8
697	Y	53.1	Low	54.8	Low	124 Å²	124	86.8 Å²	86.8	49%	0.486	44%	0.441	S	S	.	.	S	Bend	trans	-132.6	100	-178.4	-56.9	-68.6	0	0	0	111.5	A695 N699 A700 D711	A695-Y697 PolarHBondContact O-N 3.26Å; Y697-N699 PolarHBondContact O-N 2.89Å; Y697-A700 PolarHBondContact O-N 3.11Å; Y697-D711 HydrophobicContact CD2-CB 3.78Å; Y697-D711 WeakPolarHBondContact CD2-OD1 3.49Å; Y697-D711 WeakPolarHBondContact CD2-OD2 3.21Å; Y697-D711 HydrophobicContact CE2-CB 3.75Å; Y697-D711 VanDerWaalsContact CE2-CG 3.42Å; Y697-D711 VanDerWaalsContact CE2-OD1 3.25Å; Y697-D711 WeakPolarHBondContact CE2-OD1 3.33Å
698	P	50.6	Low	53.4	Low	77 Å²	77	89.3 Å²	89.3	50%	0.5	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.8	-175.3	-28.8	36.6	0	0	0	116.4
699	N	51.6	Low	52.4	Low	131 Å²	131	93 Å²	93	70%	0.701	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-10	-177.6	-71.9	-14.5	0	0	0	114.4	Y697 K701 F702	Y697-N699 PolarHBondContact O-N 2.89Å; N699-K701 PolarHBondContact O-N 3.26Å; N699-F702 PolarHBondContact O-N 2.93Å
700	A	54	Low	50.7	Low	15 Å²	15	94.5 Å²	94.5	12%	0.124	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-4.8	-174.7	0	0	0	0	0	115.7	Y697	Y697-A700 PolarHBondContact O-N 3.11Å
701	K	46.1	Very low	49.5	Very low	68 Å²	68	93.9 Å²	93.9	30%	0.296	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	5.9	173.1	-141.6	-176.8	-176	-179.6	0	114.6	F672 H687 N699	F672-K701 HydrophobicContact CE2-CG 4.42Å; F672-K701 WeakPolarHBondContact CZ-O 3.22Å; H687-K701 PolarHBondContact CE1-NZ 3.49Å; H687-K701 VanDerWaalsContact CE1-NZ 3.26Å; H687-K701 WeakPolarHBondContact ND1-CE 3.29Å; H687-K701 PolarHBondContact ND1-NZ 3.31Å; N699-K701 PolarHBondContact O-N 3.26Å
702	F	48.2	Very low	48.5	Very low	166 Å²	166	97.3 Å²	97.3	73%	0.728	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-31	172.2	-73.8	-71.3	0	0	0	113.5	N699	N699-F702 PolarHBondContact O-N 2.93Å
703	V	52.9	Low	47.9	Very low	97 Å²	97	97.5 Å²	97.5	59%	0.588	54%	0.542	S	S	*	.	S	Bend	trans	-131.9	106.3	164.6	-178.4	0	0	0	0	105.8
704	P	49.1	Very low	47.2	Very low	40 Å²	40	97.8 Å²	97.8	26%	0.26	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-65.2	134	172.9	25.2	-31.5	0	0	0	108.9	R686 R706	R686-P704 VanDerWaalsContact NH1-CB 3.29Å; P704-R706 PolarHBondContact O-N 3.31Å; P704-R706 VanDerWaalsContact O-N 3.15Å
705	P	48.9	Very low	45.8	Very low	38 Å²	38	99 Å²	99	25%	0.247	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-60.7	122.3	178.1	22.4	-31.2	0	0	0	109.8	D709	P705-D709 HydrophobicContact CB-CB 3.63Å
706	R	51.4	Low	44.9	Very low	191 Å²	191	102.3 Å²	102.3	72%	0.721	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-73.3	171	176.3	-60.4	172.8	173.3	-171.7	-2.5	110.1	P704 G708 D709	P704-R706 PolarHBondContact O-N 3.31Å; P704-R706 VanDerWaalsContact O-N 3.15Å; R706-G708 VanDerWaalsContact C-N 3.29Å; R706-G708 PolarHBondContact O-N 2.78Å; R706-D709 VanDerWaalsContact CB-OD2 3.27Å; R706-D709 WeakPolarHBondContact CB-OD2 3.39Å; R706-D709 WeakPolarHBondContact CG-OD2 3.38Å; R706-D709 PolarHBondContact N-OD2 3.4Å; R706-D709 PolarHBondContact O-N 3.29Å
707	L	38.1	Very low	44.1	Very low	195 Å²	195	105.3 Å²	105.3	100%	1.021	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	88.8	171.2	-159.1	75.8	0	0	0	109.4
708	G	46	Very low	43.2	Very low	71 Å²	71	108 Å²	108	73%	0.732	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	138.7	-19.6	-170.9	0	0	0	0	0	114.5	R706	R706-G708 VanDerWaalsContact C-N 3.29Å; R706-G708 PolarHBondContact O-N 2.78Å
709	D	51.9	Low	42.5	Very low	80 Å²	80	113 Å²	113	43%	0.428	62%	0.622	S	S	.	*			trans	-83.9	126.5	176.5	-62.2	-28	0	0	0	109.8	P705 R706 D711	P705-D709 HydrophobicContact CB-CB 3.63Å; R706-D709 VanDerWaalsContact CB-OD2 3.27Å; R706-D709 WeakPolarHBondContact CB-OD2 3.39Å; R706-D709 WeakPolarHBondContact CG-OD2 3.38Å; R706-D709 PolarHBondContact N-OD2 3.4Å; R706-D709 PolarHBondContact O-N 3.29Å; D709-D711 PolarHBondContact O-N 3.38Å
710	A	34.8	Very low	41.8	Very low	72 Å²	72	110.7 Å²	110.7	60%	0.595	61%	0.61	S	S	*	*			trans	-105.6	59.8	-145.6	0	0	0	0	0	116.6
711	D	40	Very low	41.2	Very low	73 Å²	73	111.7 Å²	111.7	39%	0.39	62%	0.622	S	S	.	*	S	Bend	trans	-100.9	5.9	-175.3	-72.8	-17.7	0	0	0	116.1	Y697 D709	Y697-D711 HydrophobicContact CD2-CB 3.78Å; Y697-D711 WeakPolarHBondContact CD2-OD1 3.49Å; Y697-D711 WeakPolarHBondContact CD2-OD2 3.21Å; Y697-D711 HydrophobicContact CE2-CB 3.75Å; Y697-D711 VanDerWaalsContact CE2-CG 3.42Å; Y697-D711 VanDerWaalsContact CE2-OD1 3.25Å; Y697-D711 WeakPolarHBondContact CE2-OD1 3.33Å; D709-D711 PolarHBondContact O-N 3.38Å
712	L	38.5	Very low	41.4	Very low	177 Å²	177	112 Å²	112	93%	0.927	63%	0.63	S	S	*	*	S	Bend	trans	-131.2	22	175.6	-81.6	177.2	0	0	0	114.2
713	M	43.1	Very low	41.5	Very low	133 Å²	133	104.6 Å²	104.6	66%	0.655	60%	0.598	S	S	*	*			trans	-87	126.9	170.6	-79.9	-79.5	-70.1	0	0	110.8	C715	M713-C715 PolarHBondContact O-N 3.03Å; M713-C715 VanDerWaalsContact O-N 3.08Å
714	P	36.7	Very low	41.3	Very low	110 Å²	110	105.2 Å²	105.2	71%	0.714	61%	0.605	S	S	*	*			trans	-63.1	106.2	152.6	-15.2	30.2	0	0	0	107.9	S716	P714-S716 PolarHBondContact O-N 3.11Å
715	C	27.5	Very low	41.6	Very low	124 Å²	124	108.7 Å²	108.7	84%	0.838	62%	0.621	S	S	*	*			trans	-72.3	73.6	-178.5	-66.6	0	0	0	0	112	M713	M713-C715 PolarHBondContact O-N 3.03Å; M713-C715 VanDerWaalsContact O-N 3.08Å
716	S	31.8	Very low	42.1	Very low	87 Å²	87	107.3 Å²	107.3	61%	0.608	61%	0.612	S	S	*	*			trans	-158	120.8	-179.5	146.8	0	0	0	0	109	P714	P714-S716 PolarHBondContact O-N 3.11Å
717	N	32.5	Very low	42.6	Very low	143 Å²	143	103.9 Å²	103.9	77%	0.765	60%	0.602	S	S	*	*	S	Bend	cis	-147.3	149.4	3.1	-86.1	-46.3	0	0	0	110.8
718	K	34.6	Very low	43.8	Very low	179 Å²	179	100.9 Å²	100.9	78%	0.778	59%	0.587	S	S	*	*			trans	65.2	112.2	175.3	-57.5	-175.8	179.5	-174.8	0	117	N720	K718-N720 PolarHBondContact O-N 2.88Å; K718-N720 VanDerWaalsContact O-N 3.1Å
719	L	34.2	Very low	44.6	Very low	182 Å²	182	100.7 Å²	100.7	95%	0.953	57%	0.574	S	S	*	*			trans	-20.5	101.5	153.4	-70.4	145.2	0	0	0	114.3
720	N	37.3	Very low	45.4	Very low	84 Å²	84	97.1 Å²	97.1	45%	0.449	56%	0.555	S	S	.	*			trans	-163.4	108.8	178.3	-136.8	-59.8	0	0	0	110.4	K718 R803	K718-N720 PolarHBondContact O-N 2.88Å; K718-N720 VanDerWaalsContact O-N 3.1Å; N720-R803 PolarHBondContact ND2-NH1 3.42Å; N720-R803 PolarHBondContact OD1-NH1 3.04Å
721	G	41.9	Very low	47.2	Very low	36 Å²	36	97.4 Å²	97.4	37%	0.371	54%	0.541	S	S	.	.			cis	-162.7	171.3	-2.1	0	0	0	0	0	111.8	T723	G721-T723 PolarHBondContact O-N 3.33Å; G721-T723 PolarHBondContact O-OG1 3.33Å; G721-T723 VanDerWaalsContact O-OG1 3.14Å
722	V	49.5	Very low	48.7	Very low	75 Å²	75	96.8 Å²	96.8	46%	0.455	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-49	-21.3	-163.3	-171.5	0	0	0	0	116.1	C724 L725 K783	V722-C724 PolarHBondContact O-N 2.83Å; V722-L725 HydrophobicContact CG1-CD1 4.48Å; V722-L725 PolarHBondContact O-N 3.14Å; V722-K783 HydrophobicContact CG1-CB 4.34Å; V722-K783 HydrophobicContact CG1-CD 4.45Å
723	T	50.3	Low	50.2	Low	9 Å²	9	90.5 Å²	90.5	6%	0.055	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-42.9	-29.2	176	5.3	0	0	0	0	118.1	G721 L725 I726 P800 F801	G721-T723 PolarHBondContact O-N 3.33Å; G721-T723 PolarHBondContact O-OG1 3.33Å; G721-T723 VanDerWaalsContact O-OG1 3.14Å; T723-L725 PolarHBondContact O-N 3.2Å; T723-I726 HydrophobicContact CG2-CD1 3.88Å; T723-I726 WeakPolarHBondContact O-CB 3.35Å; T723-I726 PolarHBondContact O-N 3.03Å; T723-I726 VanDerWaalsContact O-N 3.13Å; T723-P800 HydrophobicContact CG2-CB 3.65Å; T723-P800 HydrophobicContact CG2-CG 3.63Å; T723-P800 WeakPolarHBondContact OG1-CB 3.49Å; T723-P800 WeakPolarHBondContact OG1-CG 3.38Å; T723-F801 HydrophobicContact CG2-CE2 3.86Å; T723-F801 HydrophobicContact CG2-CZ 3.93Å
724	C	49.9	Very low	51.7	Low	111 Å²	111	84.3 Å²	84.3	75%	0.75	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-68.8	-10.8	179.5	52.9	0	0	0	0	113.2	V722 I726	V722-C724 PolarHBondContact O-N 2.83Å; C724-I726 VanDerWaalsContact C-N 3.33Å
725	L	54.1	Low	53.5	Low	112 Å²	112	81 Å²	81	59%	0.586	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-93.7	16.4	172	-55.8	177.1	0	0	0	113	V722 T723 K783	V722-L725 HydrophobicContact CG1-CD1 4.48Å; V722-L725 PolarHBondContact O-N 3.14Å; T723-L725 PolarHBondContact O-N 3.2Å; L725-K783 HydrophobicContact CB-CD 4.24Å; L725-K783 PolarHBondContact O-NZ 3.47Å
726	I	59.2	Low	55.7	Low	10 Å²	10	83.6 Å²	83.6	5%	0.051	45%	0.454	C	S	.	.	S	Bend	trans	-108.1	127.8	171.9	-55.2	175.2	0	0	0	107.3	T723 C724 L730 L780 F784	T723-I726 HydrophobicContact CG2-CD1 3.88Å; T723-I726 WeakPolarHBondContact O-CB 3.35Å; T723-I726 PolarHBondContact O-N 3.03Å; T723-I726 VanDerWaalsContact O-N 3.13Å; C724-I726 VanDerWaalsContact C-N 3.33Å; I726-L730 HydrophobicContact CG2-CB 3.88Å; I726-L730 HydrophobicContact CG2-CD2 3.99Å; I726-L730 HydrophobicContact CG2-CG 3.82Å; I726-L780 HydrophobicContact CD1-CD2 3.6Å; I726-L780 HydrophobicContact CG1-CD2 3.77Å; I726-L780 HydrophobicContact CG2-CD2 4.36Å; I726-F784 HydrophobicContact CD1-CE2 4.08Å; I726-F784 HydrophobicContact CD1-CZ 4.32Å
727	K	63.5	Low	57.6	Low	118 Å²	118	80.9 Å²	80.9	51%	0.513	43%	0.433	S	S	.	.			trans	-55.3	142.4	179.2	-61.7	-173.9	-162.4	168.6	0	111.4	S729 L730 R731 E776	K727-S729 PolarHBondContact O-N 3.47Å; K727-S729 VanDerWaalsContact O-N 3.09Å; K727-L730 PolarHBondContact O-N 3.03Å; K727-R731 PolarHBondContact O-N 3.4Å; K727-E776 HydrophobicContact CD-CG 4.25Å; K727-E776 VanDerWaalsContact CD-OE1 3.24Å; K727-E776 WeakPolarHBondContact CD-OE1 3.34Å; K727-E776 VanDerWaalsContact CE-OE1 3.3Å; K727-E776 WeakPolarHBondContact CE-OE1 3.29Å; K727-E776 IonicContact NZ-OE1 3.04Å; K727-E776 PolarHBondContact NZ-OE1 3.16Å
728	D	63.4	Low	59.7	Low	132 Å²	132	74.2 Å²	74.2	71%	0.706	40%	0.397	S	S	*	.	H	α-helix	trans	-56.6	-33.2	-174.2	-60	-68.2	0	0	0	114	R731 A732	D728-R731 PolarHBondContact O-N 2.86Å; D728-A732 VanDerWaalsContact O-CB 3.24Å; D728-A732 WeakPolarHBondContact O-CB 3.4Å; D728-A732 PolarHBondContact O-N 3.48Å
729	S	62.1	Low	61.4	Low	67 Å²	67	68.3 Å²	68.3	47%	0.469	37%	0.374	S	S	.	.	H	α-helix	trans	-61.5	-44	174.4	-170.8	0	0	0	0	112.4	K727 K733	K727-S729 PolarHBondContact O-N 3.47Å; K727-S729 VanDerWaalsContact O-N 3.09Å; S729-K733 WeakPolarHBondContact O-CB 3.4Å; S729-K733 WeakPolarHBondContact O-CD 3.42Å; S729-K733 WeakPolarHBondContact O-CG 3.44Å; S729-K733 PolarHBondContact O-N 3.03Å; S729-K733 PolarHBondContact OG-NZ 2.94Å
730	L	69.2	Low	63.5	Low	6 Å²	6	67.3 Å²	67.3	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-74.9	-37.1	179.2	-178.1	52.7	0	0	0	111.1	I726 K727 K733 I734 V772 E776 L780	I726-L730 HydrophobicContact CG2-CB 3.88Å; I726-L730 HydrophobicContact CG2-CD2 3.99Å; I726-L730 HydrophobicContact CG2-CG 3.82Å; K727-L730 PolarHBondContact O-N 3.03Å; L730-K733 PolarHBondContact O-N 2.85Å; L730-I734 HydrophobicContact CD1-CD1 3.95Å; L730-I734 HydrophobicContact CD1-CG1 4.17Å; L730-I734 HydrophobicContact CG-CD1 4Å; L730-I734 WeakPolarHBondContact O-CB 3.26Å; L730-I734 VanDerWaalsContact O-CG1 3.28Å; L730-I734 WeakPolarHBondContact O-CG1 3.3Å; L730-I734 PolarHBondContact O-N 3.42Å; L730-V772 HydrophobicContact CD1-CG1 4.26Å; L730-V772 HydrophobicContact CD1-CG2 3.77Å; L730-V772 HydrophobicContact CD2-CG1 4.06Å; L730-E776 HydrophobicContact CD2-CB 4.15Å; L730-L780 HydrophobicContact CD2-CD1 3.82Å; L730-L780 HydrophobicContact CD2-CG 4.21Å
731	R	72.1	Confident	65.5	Low	77 Å²	77	63.4 Å²	63.4	29%	0.291	34%	0.336	S	S	.	.	H	α-helix	trans	-59.4	-46.8	170.9	-178.9	176.3	170.3	73.2	-2.1	111.8	K727 D728 I734 D735 F801	K727-R731 PolarHBondContact O-N 3.4Å; D728-R731 PolarHBondContact O-N 2.86Å; R731-I734 PolarHBondContact O-N 2.85Å; R731-D735 PolarHBondContact O-N 3.14Å; R731-F801 HydrophobicContact CG-CE1 3.89Å; R731-F801 HydrophobicContact CG-CZ 4.19Å; R731-F801 VanDerWaalsContact O-CE1 3.3Å; R731-F801 WeakPolarHBondContact O-CE1 3.12Å
732	A	70.6	Confident	67.3	Low	61 Å²	61	63.2 Å²	63.2	50%	0.504	33%	0.325	S	S	.	.	H	α-helix	trans	-65.6	-41.3	177.6	0	0	0	0	0	112.2	D728 D735 F736	D728-A732 VanDerWaalsContact O-CB 3.24Å; D728-A732 WeakPolarHBondContact O-CB 3.4Å; D728-A732 PolarHBondContact O-N 3.48Å; A732-D735 PolarHBondContact O-N 3Å; A732-F736 WeakPolarHBondContact O-CB 3.28Å; A732-F736 PolarHBondContact O-N 2.9Å
733	K	70.9	Confident	68.8	Low	45 Å²	45	65.5 Å²	65.5	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-44	174.9	-76.7	164.6	177.5	163.7	0	112.1	S729 L730 F736 M737	S729-K733 WeakPolarHBondContact O-CB 3.4Å; S729-K733 WeakPolarHBondContact O-CD 3.42Å; S729-K733 WeakPolarHBondContact O-CG 3.44Å; S729-K733 PolarHBondContact O-N 3.03Å; S729-K733 PolarHBondContact OG-NZ 2.94Å; L730-K733 PolarHBondContact O-N 2.85Å; K733-F736 PolarHBondContact O-N 3.49Å; K733-M737 WeakPolarHBondContact O-CB 3.41Å; K733-M737 WeakPolarHBondContact O-CG 3.46Å; K733-M737 PolarHBondContact O-N 3.47Å
734	I	74.8	Confident	70.2	Confident	2 Å²	2	68 Å²	68	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-66.2	-41.8	177.1	-67.1	165.7	0	0	0	111.8	L730 R731 M737 F738 L741 L798 F801	L730-I734 HydrophobicContact CD1-CD1 3.95Å; L730-I734 HydrophobicContact CD1-CG1 4.17Å; L730-I734 HydrophobicContact CG-CD1 4Å; L730-I734 WeakPolarHBondContact O-CB 3.26Å; L730-I734 VanDerWaalsContact O-CG1 3.28Å; L730-I734 WeakPolarHBondContact O-CG1 3.3Å; L730-I734 PolarHBondContact O-N 3.42Å; R731-I734 PolarHBondContact O-N 2.85Å; I734-M737 PolarHBondContact O-N 3.49Å; I734-F738 WeakPolarHBondContact O-CA 3.39Å; I734-F738 PolarHBondContact O-N 3.43Å; I734-L741 HydrophobicContact CB-CD1 4.27Å; I734-L741 HydrophobicContact CG1-CD1 4.19Å; I734-L741 HydrophobicContact CG2-CD1 4.11Å; I734-L798 HydrophobicContact CG2-CD2 4.23Å; I734-F801 HydrophobicContact CB-CE1 4.06Å; I734-F801 HydrophobicContact CB-CE2 4.26Å; I734-F801 HydrophobicContact CB-CZ 3.83Å; I734-F801 HydrophobicContact CD1-CZ 4.46Å; I734-F801 HydrophobicContact CG2-CD1 4.13Å; I734-F801 HydrophobicContact CG2-CD2 3.75Å; I734-F801 HydrophobicContact CG2-CE1 3.89Å; I734-F801 HydrophobicContact CG2-CE2 3.49Å; I734-F801 VanDerWaalsContact CG2-CE2 3.49Å; I734-F801 HydrophobicContact CG2-CG 4.06Å; I734-F801 HydrophobicContact CG2-CZ 3.56Å
735	D	73.8	Confident	71.8	Confident	42 Å²	42	62.7 Å²	62.7	23%	0.225	30%	0.304	C	S	.	.	H	α-helix	trans	-67.6	-36	176.6	-160.5	12.7	0	0	0	112	R731 A732 F801 R805	R731-D735 PolarHBondContact O-N 3.14Å; A732-D735 PolarHBondContact O-N 3Å; D735-F801 HydrophobicContact CB-CD1 3.74Å; D735-F801 HydrophobicContact CB-CE1 4.13Å; D735-R805 PolarHBondContact O-NH2 3.48Å; D735-R805 IonicContact OD1-NE 3.8Å; D735-R805 PolarHBondContact OD1-NE 2.93Å
736	F	74.1	Confident	73	Confident	177 Å²	177	60.9 Å²	60.9	78%	0.776	29%	0.294	S	S	*	.	H	α-helix	trans	-67.8	-44.9	175.3	-177.1	-107	0	0	0	112.3	A732 K733	A732-F736 WeakPolarHBondContact O-CB 3.28Å; A732-F736 PolarHBondContact O-N 2.9Å; K733-F736 PolarHBondContact O-N 3.49Å
737	M	71.7	Confident	74.1	Confident	31 Å²	31	67 Å²	67	15%	0.153	32%	0.322	C	S	.	.	H	α-helix	trans	-94.3	5	-173.3	-59.7	-167	72.8	0	0	114.7	K733 I734 D739 R740 L741 L768 C769	K733-M737 WeakPolarHBondContact O-CB 3.41Å; K733-M737 WeakPolarHBondContact O-CG 3.46Å; K733-M737 PolarHBondContact O-N 3.47Å; I734-M737 PolarHBondContact O-N 3.49Å; M737-D739 VanDerWaalsContact C-N 3.3Å; M737-D739 PolarHBondContact O-N 3.2Å; M737-D739 VanDerWaalsContact O-N 3.14Å; M737-R740 WeakPolarHBondContact O-CA 3.25Å; M737-R740 PolarHBondContact O-N 3.39Å; M737-L741 HydrophobicContact CB-CD1 4Å; M737-L741 HydrophobicContact CB-CG 4.31Å; M737-L741 PolarHBondContact O-N 3.38Å; M737-L768 HydrophobicContact CE-CB 3.73Å; M737-L768 HydrophobicContact CE-CD2 3.95Å; M737-L768 HydrophobicContact CE-CG 4.31Å; M737-L768 VanDerWaalsContact CE-O 3.31Å; M737-L768 WeakPolarHBondContact CE-O 3.46Å; M737-L768 HydrophobicContact SD-CB 4.28Å; M737-C769 VanDerWaalsContact SD-SG 3.62Å
738	F	75.8	Confident	74.8	Confident	3 Å²	3	64.4 Å²	64.4	1%	0.013	31%	0.313	C	S	.	.	H	α-helix	trans	-43.3	-48.5	-177.5	-176.1	-85.2	0	0	0	114.4	I734 R740 L741 Y742 L798 F801 I802 R805 L821	I734-F738 WeakPolarHBondContact O-CA 3.39Å; I734-F738 PolarHBondContact O-N 3.43Å; F738-R740 PolarHBondContact O-N 3.42Å; F738-L741 PolarHBondContact O-N 3.39Å; F738-Y742 VanDerWaalsContact O-CB 3.22Å; F738-Y742 WeakPolarHBondContact O-CB 3.29Å; F738-Y742 PolarHBondContact O-N 2.78Å; F738-L798 HydrophobicContact CD2-CD2 3.93Å; F738-L798 HydrophobicContact CE2-CB 4.08Å; F738-L798 HydrophobicContact CE2-CD1 4.26Å; F738-L798 HydrophobicContact CE2-CD2 3.91Å; F738-L798 HydrophobicContact CE2-CG 4.31Å; F738-F801 HydrophobicContact CD2-CB 3.82Å; F738-F801 HydrophobicContact CE2-CB 3.94Å; F738-I802 HydrophobicContact CE2-CG1 3.79Å; F738-I802 HydrophobicContact CZ-CD1 4.3Å; F738-I802 HydrophobicContact CZ-CG1 3.54Å; F738-R805 VanDerWaalsContact CB-CZ 3.43Å; F738-L821 HydrophobicContact CE1-CD2 4.13Å; F738-L821 HydrophobicContact CZ-CD2 3.67Å
739	D	71.3	Confident	75.7	Confident	54 Å²	54	58.7 Å²	58.7	29%	0.289	28%	0.282	S	S	.	.	H	α-helix	trans	-70.9	-12.8	-177.4	-61.1	-95.9	0	0	0	114	M737 R805 N814	M737-D739 VanDerWaalsContact C-N 3.3Å; M737-D739 PolarHBondContact O-N 3.2Å; M737-D739 VanDerWaalsContact O-N 3.14Å; D739-R805 IonicContact OD1-NH1 3.28Å; D739-R805 IonicContact OD2-CZ 3.67Å; D739-R805 IonicContact OD2-NH1 2.7Å; D739-R805 PolarHBondContact OD2-NH1 2.93Å; D739-R805 IonicContact OD2-NH2 2.69Å; D739-R805 PolarHBondContact OD2-NH2 3.36Å; D739-N814 PolarHBondContact OD1-ND2 3.11Å
740	R	78.3	Confident	76.4	Confident	162 Å²	162	61 Å²	61	61%	0.611	30%	0.296	S	S	*	.	H	α-helix	trans	-93.1	-55.2	167.4	-66.7	-172.4	-179.5	-166.3	-0.2	110.6	M737 F738 Y742 K743 E744 L768	M737-R740 WeakPolarHBondContact O-CA 3.25Å; M737-R740 PolarHBondContact O-N 3.39Å; F738-R740 PolarHBondContact O-N 3.42Å; R740-Y742 PolarHBondContact O-N 2.89Å; R740-Y742 VanDerWaalsContact O-N 3.12Å; R740-K743 WeakPolarHBondContact O-CA 3.35Å; R740-K743 WeakPolarHBondContact O-CB 3.34Å; R740-K743 PolarHBondContact O-N 3.49Å; R740-E744 PolarHBondContact O-N 3.4Å; R740-L768 HydrophobicContact CB-CD1 4.44Å
741	L	79.4	Confident	76.5	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-47.3	-45.1	177.7	-78.2	163.2	0	0	0	112.1	I734 M737 F738 K743 E744 F745 I764 L765 L768	I734-L741 HydrophobicContact CB-CD1 4.27Å; I734-L741 HydrophobicContact CG1-CD1 4.19Å; I734-L741 HydrophobicContact CG2-CD1 4.11Å; M737-L741 HydrophobicContact CB-CD1 4Å; M737-L741 HydrophobicContact CB-CG 4.31Å; M737-L741 PolarHBondContact O-N 3.38Å; F738-L741 PolarHBondContact O-N 3.39Å; L741-K743 VanDerWaalsContact C-N 3.34Å; L741-K743 PolarHBondContact O-N 3.21Å; L741-E744 PolarHBondContact O-N 2.85Å; L741-F745 HydrophobicContact CB-CE2 4.05Å; L741-F745 HydrophobicContact CD2-CE2 4.36Å; L741-F745 HydrophobicContact CD2-CZ 4.08Å; L741-F745 WeakPolarHBondContact O-CD2 3.38Å; L741-F745 WeakPolarHBondContact O-CG 3.3Å; L741-F745 PolarHBondContact O-N 3.38Å; L741-I764 HydrophobicContact CD2-CG2 3.7Å; L741-L765 HydrophobicContact CD2-CD2 4.32Å; L741-L768 HydrophobicContact CD2-CD1 3.66Å; L741-L768 HydrophobicContact CG-CD1 3.89Å
742	Y	78.9	Confident	76.5	Confident	32 Å²	32	67.6 Å²	67.6	13%	0.125	34%	0.335	C	S	.	.	H	α-helix	trans	-67.2	-29.6	179	-178.8	-118	0	0	0	114	F738 R740 I746 L798 V817 L821	F738-Y742 VanDerWaalsContact O-CB 3.22Å; F738-Y742 WeakPolarHBondContact O-CB 3.29Å; F738-Y742 PolarHBondContact O-N 2.78Å; R740-Y742 PolarHBondContact O-N 2.89Å; R740-Y742 VanDerWaalsContact O-N 3.12Å; Y742-I746 HydrophobicContact CD1-CD1 4.04Å; Y742-I746 HydrophobicContact CE1-CD1 3.53Å; Y742-I746 HydrophobicContact CE1-CG1 4.49Å; Y742-I746 HydrophobicContact CE2-CD1 4.03Å; Y742-I746 HydrophobicContact CE2-CG1 4.13Å; Y742-I746 HydrophobicContact CG-CD1 4.49Å; Y742-I746 WeakPolarHBondContact O-CD1 3.37Å; Y742-I746 VanDerWaalsContact O-CG1 3.29Å; Y742-I746 WeakPolarHBondContact O-CG1 3.46Å; Y742-I746 PolarHBondContact O-N 3.45Å; Y742-L798 HydrophobicContact CD2-CD1 3.87Å; Y742-L798 HydrophobicContact CG-CD1 4.43Å; Y742-V817 HydrophobicContact CD1-CG1 4.16Å; Y742-V817 HydrophobicContact CE1-CG1 3.66Å; Y742-L821 HydrophobicContact CD1-CD2 4.08Å; Y742-L821 HydrophobicContact CD2-CD1 4.15Å; Y742-L821 HydrophobicContact CD2-CD2 3.71Å; Y742-L821 HydrophobicContact CE1-CB 4.49Å; Y742-L821 HydrophobicContact CE1-CD2 3.94Å; Y742-L821 HydrophobicContact CE2-CD1 3.33Å; Y742-L821 HydrophobicContact CE2-CD2 3.57Å; Y742-L821 HydrophobicContact CE2-CG 3.97Å; Y742-L821 HydrophobicContact CG-CD2 3.98Å
743	K	80.6	Confident	76.8	Confident	122 Å²	122	68.2 Å²	68.2	53%	0.53	33%	0.333	S	S	.	.	H	α-helix	trans	-70.6	-51.3	172.2	-71.1	-177.6	172	-164	0	111	R740 L741 F745 I746 E747	R740-K743 WeakPolarHBondContact O-CA 3.35Å; R740-K743 WeakPolarHBondContact O-CB 3.34Å; R740-K743 PolarHBondContact O-N 3.49Å; L741-K743 VanDerWaalsContact C-N 3.34Å; L741-K743 PolarHBondContact O-N 3.21Å; K743-F745 PolarHBondContact O-N 2.88Å; K743-I746 WeakPolarHBondContact O-CA 3.46Å; K743-I746 WeakPolarHBondContact O-CB 3.3Å; K743-I746 PolarHBondContact O-N 2.89Å; K743-E747 PolarHBondContact O-N 3.29Å
744	E	80.5	Confident	77	Confident	61 Å²	61	66.1 Å²	66.1	29%	0.285	32%	0.324	S	S	.	.	H	α-helix	trans	-54	-44	177.7	-53.6	-45.3	140.6	0	0	111.2	R740 L741 I746 E747 M748 I764 L768	R740-E744 PolarHBondContact O-N 3.4Å; L741-E744 PolarHBondContact O-N 2.85Å; E744-I746 VanDerWaalsContact C-N 3.35Å; E744-I746 PolarHBondContact O-N 3.47Å; E744-E747 PolarHBondContact O-N 3.34Å; E744-M748 HydrophobicContact CB-CE 3.88Å; E744-M748 WeakPolarHBondContact O-CB 3.45Å; E744-M748 WeakPolarHBondContact O-CE 3.48Å; E744-M748 PolarHBondContact O-N 2.97Å; E744-I764 HydrophobicContact CB-CD1 4.38Å; E744-I764 HydrophobicContact CB-CG1 4.4Å; E744-I764 HydrophobicContact CB-CG2 4.44Å; E744-L768 HydrophobicContact CG-CD1 4.03Å
745	F	82.8	Confident	77.4	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.1	-29	176.5	-62	-38.3	0	0	0	114.2	L741 K743 D749 I756 L761 I764 Y794 L797 L798	L741-F745 HydrophobicContact CB-CE2 4.05Å; L741-F745 HydrophobicContact CD2-CE2 4.36Å; L741-F745 HydrophobicContact CD2-CZ 4.08Å; L741-F745 WeakPolarHBondContact O-CD2 3.38Å; L741-F745 WeakPolarHBondContact O-CG 3.3Å; L741-F745 PolarHBondContact O-N 3.38Å; K743-F745 PolarHBondContact O-N 2.88Å; F745-D749 WeakPolarHBondContact O-CB 3.38Å; F745-D749 PolarHBondContact O-N 3.36Å; F745-I756 HydrophobicContact CD1-CD1 3.59Å; F745-I756 HydrophobicContact CD1-CG2 4.44Å; F745-I756 HydrophobicContact CE1-CD1 3.41Å; F745-I756 VanDerWaalsContact CE1-CD1 3.41Å; F745-I756 HydrophobicContact CZ-CD1 4.34Å; F745-L761 HydrophobicContact CE1-CD1 3.98Å; F745-L761 HydrophobicContact CZ-CD1 3.97Å; F745-I764 HydrophobicContact CD1-CD1 3.56Å; F745-I764 HydrophobicContact CE1-CD1 3.53Å; F745-I764 HydrophobicContact CE1-CG2 4.22Å; F745-Y794 HydrophobicContact CB-CD1 4.37Å; F745-Y794 HydrophobicContact CB-CD2 3.55Å; F745-Y794 HydrophobicContact CB-CE2 3.78Å; F745-Y794 HydrophobicContact CB-CG 3.87Å; F745-Y794 AromaticContact CD2-CD2 3.85Å; F745-Y794 HydrophobicContact CD2-CD2 3.85Å; F745-Y794 HydrophobicContact CD2-CG 4.17Å; F745-Y794 AromaticContact CG-CD2 3.89Å; F745-Y794 HydrophobicContact CG-CD2 3.89Å; F745-Y794 AromaticContact CG-CG 3.98Å; F745-Y794 HydrophobicContact CG-CG 3.98Å; F745-L797 HydrophobicContact CE2-CD2 4.31Å; F745-L797 HydrophobicContact CZ-CD2 4.02Å; F745-L798 HydrophobicContact CD2-CD1 3.89Å; F745-L798 HydrophobicContact CD2-CG 4.47Å; F745-L798 HydrophobicContact CE2-CD1 4.14Å; F745-L798 HydrophobicContact CE2-CD2 4.34Å; F745-L798 HydrophobicContact CE2-CG 4.27Å
746	I	80.4	Confident	77.9	Confident	74 Å²	74	67.4 Å²	67.4	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-72.3	-46.1	171	-69.1	161.9	0	0	0	110.2	Y742 K743 E744 M748 D749	Y742-I746 HydrophobicContact CD1-CD1 4.04Å; Y742-I746 HydrophobicContact CE1-CD1 3.53Å; Y742-I746 HydrophobicContact CE1-CG1 4.49Å; Y742-I746 HydrophobicContact CE2-CD1 4.03Å; Y742-I746 HydrophobicContact CE2-CG1 4.13Å; Y742-I746 HydrophobicContact CG-CD1 4.49Å; Y742-I746 WeakPolarHBondContact O-CD1 3.37Å; Y742-I746 VanDerWaalsContact O-CG1 3.29Å; Y742-I746 WeakPolarHBondContact O-CG1 3.46Å; Y742-I746 PolarHBondContact O-N 3.45Å; K743-I746 WeakPolarHBondContact O-CA 3.46Å; K743-I746 WeakPolarHBondContact O-CB 3.3Å; K743-I746 PolarHBondContact O-N 2.89Å; E744-I746 VanDerWaalsContact C-N 3.35Å; E744-I746 PolarHBondContact O-N 3.47Å; I746-M748 VanDerWaalsContact C-N 3.26Å; I746-M748 PolarHBondContact O-N 3.19Å; I746-D749 CarbonylContact O-C 3.23Å; I746-D749 VanDerWaalsContact O-C 3.23Å; I746-D749 PolarHBondContact O-N 2.67Å; I746-D749 VanDerWaalsContact O-N 3.12Å
747	E	81.4	Confident	78.4	Confident	139 Å²	139	61.8 Å²	61.8	65%	0.65	31%	0.308	S	S	*	.	H	α-helix	trans	-67.6	-28.7	-174.7	-67.4	178.9	-143.6	0	0	111.5	K743 E744	K743-E747 PolarHBondContact O-N 3.29Å; E744-E747 PolarHBondContact O-N 3.34Å
748	M	78.4	Confident	79	Confident	64 Å²	64	61.9 Å²	61.9	32%	0.315	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.9	171.2	-88.1	170.2	-89.6	0	0	116.2	E744 I746 P750 Q760 I764	E744-M748 HydrophobicContact CB-CE 3.88Å; E744-M748 WeakPolarHBondContact O-CB 3.45Å; E744-M748 WeakPolarHBondContact O-CE 3.48Å; E744-M748 PolarHBondContact O-N 2.97Å; I746-M748 VanDerWaalsContact C-N 3.26Å; I746-M748 PolarHBondContact O-N 3.19Å; M748-P750 WeakPolarHBondContact O-CD 3.42Å; M748-Q760 HydrophobicContact SD-CB 4.07Å; M748-Q760 HydrophobicContact SD-CG 4.03Å; M748-I764 HydrophobicContact CE-CD1 3.48Å; M748-I764 VanDerWaalsContact CE-CD1 3.48Å; M748-I764 HydrophobicContact CE-CG1 3.48Å; M748-I764 VanDerWaalsContact CE-CG1 3.48Å; M748-I764 HydrophobicContact SD-CD1 3.8Å; M748-I764 HydrophobicContact SD-CG1 4.05Å
749	D	81.8	Confident	79.3	Confident	11 Å²	11	68.7 Å²	68.7	6%	0.059	34%	0.341	C	S	.	.			trans	-119.1	66.3	171.6	-179.3	23.8	0	0	0	110.7	F745 I746 K751 G752 T753 G754 Y794	F745-D749 WeakPolarHBondContact O-CB 3.38Å; F745-D749 PolarHBondContact O-N 3.36Å; I746-D749 CarbonylContact O-C 3.23Å; I746-D749 VanDerWaalsContact O-C 3.23Å; I746-D749 PolarHBondContact O-N 2.67Å; I746-D749 VanDerWaalsContact O-N 3.12Å; D749-K751 PolarHBondContact O-N 3.07Å; D749-G752 PolarHBondContact O-N 3.36Å; D749-G752 PolarHBondContact OD1-N 3.39Å; D749-G752 VanDerWaalsContact OD1-N 3.11Å; D749-G752 WeakPolarHBondContact OD2-CA 3.28Å; D749-T753 VanDerWaalsContact CG-N 3.27Å; D749-T753 VanDerWaalsContact CG-OG1 3.27Å; D749-T753 PolarHBondContact OD1-N 2.95Å; D749-T753 PolarHBondContact OD1-OG1 3.15Å; D749-T753 PolarHBondContact OD2-N 2.99Å; D749-T753 PolarHBondContact OD2-OG1 3.47Å; D749-G754 PolarHBondContact OD2-N 3.07Å; D749-Y794 HydrophobicContact CB-CE1 4.12Å; D749-Y794 WeakPolarHBondContact OD2-CE1 3.48Å; D749-Y794 PolarHBondContact OD2-OH 2.83Å
750	P	76.7	Confident	79.9	Confident	117 Å²	117	68.6 Å²	68.6	76%	0.76	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-8.1	178.8	28.7	-36.9	0	0	0	113.3	M748	M748-P750 WeakPolarHBondContact O-CD 3.42Å
751	K	73.1	Confident	80.1	Confident	187 Å²	187	60.9 Å²	60.9	81%	0.813	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.2	171.7	-66.4	-177.3	-178.9	179.6	0	112.6	D749 T753	D749-K751 PolarHBondContact O-N 3.07Å; K751-T753 HydrophobicContact CB-CG2 3.77Å; K751-T753 PolarHBondContact O-N 3.19Å
752	G	72.1	Confident	80.3	Confident	33 Å²	33	62.7 Å²	62.7	34%	0.34	32%	0.319	S	S	.	.			trans	61.4	23.4	178.4	0	0	0	0	0	114.5	D749 G754 K824	D749-G752 PolarHBondContact O-N 3.36Å; D749-G752 PolarHBondContact OD1-N 3.39Å; D749-G752 VanDerWaalsContact OD1-N 3.11Å; D749-G752 WeakPolarHBondContact OD2-CA 3.28Å; G752-G754 VanDerWaalsContact C-N 3.27Å; G752-G754 PolarHBondContact O-N 2.97Å; G752-K824 PolarHBondContact O-NZ 3.1Å
753	T	75.6	Confident	80.5	Confident	75 Å²	75	64.8 Å²	64.8	46%	0.46	33%	0.333	S	S	.	.			trans	-62.6	-26	-175.8	60.6	0	0	0	0	114.3	D749 K751 F755	D749-T753 VanDerWaalsContact CG-N 3.27Å; D749-T753 VanDerWaalsContact CG-OG1 3.27Å; D749-T753 PolarHBondContact OD1-N 2.95Å; D749-T753 PolarHBondContact OD1-OG1 3.15Å; D749-T753 PolarHBondContact OD2-N 2.99Å; D749-T753 PolarHBondContact OD2-OG1 3.47Å; K751-T753 HydrophobicContact CB-CG2 3.77Å; K751-T753 PolarHBondContact O-N 3.19Å; T753-F755 VanDerWaalsContact O-CD2 3.29Å; T753-F755 WeakPolarHBondContact O-CD2 3.44Å; T753-F755 PolarHBondContact OG1-N 3.36Å
754	G	76.4	Confident	80.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	89.1	10.7	-173.4	0	0	0	0	0	114.6	D749 G752 S793 Y794 L795	D749-G754 PolarHBondContact OD2-N 3.07Å; G752-G754 VanDerWaalsContact C-N 3.27Å; G752-G754 PolarHBondContact O-N 2.97Å; G754-S793 WeakPolarHBondContact O-CA 3.4Å; G754-S793 PolarHBondContact O-OG 3.32Å; G754-Y794 VanDerWaalsContact C-CD1 3.4Å; G754-Y794 WeakPolarHBondContact O-CD1 3.44Å; G754-Y794 PolarHBondContact O-N 2.86Å; G754-L795 VanDerWaalsContact CA-CD1 3.46Å
755	F	82.9	Confident	80.4	Confident	66 Å²	66	56.3 Å²	56.3	29%	0.289	30%	0.295	S	S	.	.			trans	-132.5	145.8	-173.5	-64.5	-86	0	0	0	112.8	T753 K791 I792	T753-F755 VanDerWaalsContact O-CD2 3.29Å; T753-F755 WeakPolarHBondContact O-CD2 3.44Å; T753-F755 PolarHBondContact OG1-N 3.36Å; F755-K791 HydrophobicContact CB-CB 4.13Å; F755-K791 HydrophobicContact CB-CD 4.38Å; F755-K791 HydrophobicContact CD1-CB 3.98Å; F755-K791 HydrophobicContact CG-CB 4.35Å; F755-I792 WeakPolarHBondContact CA-O 3.49Å
756	I	83.9	Confident	80.3	Confident	5 Å²	5	60 Å²	60	3%	0.026	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-132.5	160.6	173.2	57	178.4	0	0	0	110.3	F745 Q760 L761 I792 Y794	F745-I756 HydrophobicContact CD1-CD1 3.59Å; F745-I756 HydrophobicContact CD1-CG2 4.44Å; F745-I756 HydrophobicContact CE1-CD1 3.41Å; F745-I756 VanDerWaalsContact CE1-CD1 3.41Å; F745-I756 HydrophobicContact CZ-CD1 4.34Å; I756-Q760 HydrophobicContact CB-CB 4.43Å; I756-L761 HydrophobicContact CD1-CB 3.87Å; I756-L761 HydrophobicContact CD1-CD1 4.07Å; I756-I792 HydrophobicContact CG1-CB 4.22Å; I756-I792 PolarHBondContact N-O 3.31Å; I756-I792 PolarHBondContact O-N 3.29Å; I756-Y794 HydrophobicContact CG2-CD1 3.95Å; I756-Y794 HydrophobicContact CG2-CE1 4.49Å
757	T	84.8	Confident	80.1	Confident	59 Å²	59	63.7 Å²	63.7	36%	0.362	33%	0.33	S	S	.	.			trans	-77.1	153.4	173	62.8	0	0	0	0	112.1	K759 Q760 L761	T757-K759 PolarHBondContact O-N 3.39Å; T757-Q760 PolarHBondContact O-N 2.69Å; T757-Q760 VanDerWaalsContact O-N 3.12Å; T757-Q760 WeakPolarHBondContact OG1-CG 3.24Å; T757-Q760 PolarHBondContact OG1-N 3.16Å; T757-Q760 PolarHBondContact OG1-OE1 3.05Å; T757-L761 PolarHBondContact O-N 3.18Å
758	P	83.2	Confident	79.5	Confident	34 Å²	34	58.4 Å²	58.4	22%	0.221	31%	0.306	C	S	.	.	H	α-helix	trans	-52	-34.8	170.5	-28.5	32.3	0	0	0	114.1	N762 I781 G790 I792	P758-N762 WeakPolarHBondContact O-CB 3.39Å; P758-N762 PolarHBondContact O-N 2.86Å; P758-I781 HydrophobicContact CB-CD1 3.99Å; P758-I781 HydrophobicContact CB-CG1 4.11Å; P758-I781 HydrophobicContact CB-CG2 4.04Å; P758-I781 HydrophobicContact CG-CG2 4.07Å; P758-G790 WeakPolarHBondContact CD-O 3.33Å; P758-I792 HydrophobicContact CB-CD1 4.06Å; P758-I792 HydrophobicContact CG-CD1 3.98Å; P758-I792 HydrophobicContact CG-CG1 4.33Å
759	K	82.5	Confident	79.1	Confident	145 Å²	145	55.7 Å²	55.7	63%	0.63	29%	0.293	S	S	*	.	H	α-helix	trans	-67	-49.3	176	-163.2	-162.6	168.5	-165.7	0	111.3	T757 L761 N762 D763	T757-K759 PolarHBondContact O-N 3.39Å; K759-L761 VanDerWaalsContact C-N 3.31Å; K759-L761 PolarHBondContact O-N 3.36Å; K759-N762 WeakPolarHBondContact O-CA 3.23Å; K759-N762 WeakPolarHBondContact O-CB 3.24Å; K759-N762 PolarHBondContact O-N 3.14Å; K759-D763 VanDerWaalsContact CE-OD2 3.29Å; K759-D763 WeakPolarHBondContact CE-OD2 3.49Å; K759-D763 IonicContact NZ-OD2 3.9Å; K759-D763 PolarHBondContact O-N 2.94Å
760	Q	83.9	Confident	78.2	Confident	52 Å²	52	62.6 Å²	62.6	24%	0.243	33%	0.329	C	S	.	.	H	α-helix	trans	-58	-42.6	176.5	-72.5	163.6	-62.7	0	0	111.8	M748 I756 T757 N762 D763 I764	M748-Q760 HydrophobicContact SD-CB 4.07Å; M748-Q760 HydrophobicContact SD-CG 4.03Å; I756-Q760 HydrophobicContact CB-CB 4.43Å; T757-Q760 PolarHBondContact O-N 2.69Å; T757-Q760 VanDerWaalsContact O-N 3.12Å; T757-Q760 WeakPolarHBondContact OG1-CG 3.24Å; T757-Q760 PolarHBondContact OG1-N 3.16Å; T757-Q760 PolarHBondContact OG1-OE1 3.05Å; Q760-N762 VanDerWaalsContact C-N 3.31Å; Q760-N762 PolarHBondContact O-N 2.74Å; Q760-D763 PolarHBondContact O-N 2.75Å; Q760-I764 WeakPolarHBondContact O-CB 3.48Å; Q760-I764 VanDerWaalsContact O-CD1 3.26Å; Q760-I764 WeakPolarHBondContact O-CD1 3.3Å; Q760-I764 WeakPolarHBondContact O-CG1 3.31Å; Q760-I764 PolarHBondContact O-N 2.9Å
761	L	83.8	Confident	77.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-41.8	174.6	-178.9	65.4	0	0	0	111.9	F745 I756 T757 K759 L765 L780 I781 I792 L797	F745-L761 HydrophobicContact CE1-CD1 3.98Å; F745-L761 HydrophobicContact CZ-CD1 3.97Å; I756-L761 HydrophobicContact CD1-CB 3.87Å; I756-L761 HydrophobicContact CD1-CD1 4.07Å; T757-L761 PolarHBondContact O-N 3.18Å; K759-L761 VanDerWaalsContact C-N 3.31Å; K759-L761 PolarHBondContact O-N 3.36Å; L761-L765 HydrophobicContact CD1-CD1 3.8Å; L761-L765 HydrophobicContact CD1-CG 3.95Å; L761-L765 HydrophobicContact CD2-CD1 4.33Å; L761-L765 HydrophobicContact CG-CD1 3.81Å; L761-L765 HydrophobicContact CG-CG 4.28Å; L761-L765 VanDerWaalsContact O-CB 3.32Å; L761-L765 WeakPolarHBondContact O-CB 3.31Å; L761-L765 VanDerWaalsContact O-CG 3.28Å; L761-L765 WeakPolarHBondContact O-CG 3.33Å; L761-L765 PolarHBondContact O-N 3.45Å; L761-L780 HydrophobicContact CD2-CB 4.35Å; L761-I781 HydrophobicContact CD2-CG1 4.48Å; L761-I792 HydrophobicContact CB-CD1 4.14Å; L761-I792 HydrophobicContact CD2-CD1 3.63Å; L761-I792 HydrophobicContact CD2-CG2 4.23Å; L761-L797 HydrophobicContact CD1-CD2 4Å
762	N	83.5	Confident	77.4	Confident	40 Å²	40	56.2 Å²	56.2	21%	0.214	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-50.3	178.7	-165.6	8.3	0	0	0	111.4	P758 K759 Q760 I764 L765 I766 I777	P758-N762 WeakPolarHBondContact O-CB 3.39Å; P758-N762 PolarHBondContact O-N 2.86Å; K759-N762 WeakPolarHBondContact O-CA 3.23Å; K759-N762 WeakPolarHBondContact O-CB 3.24Å; K759-N762 PolarHBondContact O-N 3.14Å; Q760-N762 VanDerWaalsContact C-N 3.31Å; Q760-N762 PolarHBondContact O-N 2.74Å; N762-I764 PolarHBondContact O-N 3.14Å; N762-L765 PolarHBondContact O-N 2.92Å; N762-I766 WeakPolarHBondContact O-CB 3.46Å; N762-I766 WeakPolarHBondContact O-CG1 3.44Å; N762-I766 PolarHBondContact O-N 3.5Å; N762-I766 WeakPolarHBondContact OD1-CD1 3.24Å; N762-I777 HydrophobicContact CB-CG2 4.04Å; N762-I777 WeakPolarHBondContact OD1-CD1 3.34Å
763	D	82.2	Confident	77.4	Confident	76 Å²	76	57 Å²	57	41%	0.406	29%	0.294	S	S	.	.	H	α-helix	trans	-55.3	-48.7	177.9	-61.7	-23.6	0	0	0	110.4	K759 Q760 I766 E767	K759-D763 VanDerWaalsContact CE-OD2 3.29Å; K759-D763 WeakPolarHBondContact CE-OD2 3.49Å; K759-D763 IonicContact NZ-OD2 3.9Å; K759-D763 PolarHBondContact O-N 2.94Å; Q760-D763 PolarHBondContact O-N 2.75Å; D763-I766 PolarHBondContact O-N 3.15Å; D763-E767 WeakPolarHBondContact O-CB 3.42Å; D763-E767 PolarHBondContact O-N 2.82Å
764	I	81.1	Confident	77.5	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-60.7	-46.1	176	-66.6	162.5	0	0	0	112.4	L741 E744 F745 M748 Q760 N762 L768	L741-I764 HydrophobicContact CD2-CG2 3.7Å; E744-I764 HydrophobicContact CB-CD1 4.38Å; E744-I764 HydrophobicContact CB-CG1 4.4Å; E744-I764 HydrophobicContact CB-CG2 4.44Å; F745-I764 HydrophobicContact CD1-CD1 3.56Å; F745-I764 HydrophobicContact CE1-CD1 3.53Å; F745-I764 HydrophobicContact CE1-CG2 4.22Å; M748-I764 HydrophobicContact CE-CD1 3.48Å; M748-I764 VanDerWaalsContact CE-CD1 3.48Å; M748-I764 HydrophobicContact CE-CG1 3.48Å; M748-I764 VanDerWaalsContact CE-CG1 3.48Å; M748-I764 HydrophobicContact SD-CD1 3.8Å; M748-I764 HydrophobicContact SD-CG1 4.05Å; Q760-I764 WeakPolarHBondContact O-CB 3.48Å; Q760-I764 VanDerWaalsContact O-CD1 3.26Å; Q760-I764 WeakPolarHBondContact O-CD1 3.3Å; Q760-I764 WeakPolarHBondContact O-CG1 3.31Å; Q760-I764 PolarHBondContact O-N 2.9Å; N762-I764 PolarHBondContact O-N 3.14Å; I764-L768 HydrophobicContact CG2-CD1 3.87Å; I764-L768 HydrophobicContact CG2-CG 4.44Å; I764-L768 WeakPolarHBondContact O-CB 3.36Å; I764-L768 PolarHBondContact O-N 3.13Å
765	L	77.8	Confident	77.3	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-72.2	-31.7	-176.5	-74.6	178.6	0	0	0	112.2	L741 L761 N762 C769 I777 L780	L741-L765 HydrophobicContact CD2-CD2 4.32Å; L761-L765 HydrophobicContact CD1-CD1 3.8Å; L761-L765 HydrophobicContact CD1-CG 3.95Å; L761-L765 HydrophobicContact CD2-CD1 4.33Å; L761-L765 HydrophobicContact CG-CD1 3.81Å; L761-L765 HydrophobicContact CG-CG 4.28Å; L761-L765 VanDerWaalsContact O-CB 3.32Å; L761-L765 WeakPolarHBondContact O-CB 3.31Å; L761-L765 VanDerWaalsContact O-CG 3.28Å; L761-L765 WeakPolarHBondContact O-CG 3.33Å; L761-L765 PolarHBondContact O-N 3.45Å; N762-L765 PolarHBondContact O-N 2.92Å; L765-C769 CarbonylContact O-C 3.27Å; L765-C769 VanDerWaalsContact O-C 3.27Å; L765-C769 VanDerWaalsContact O-CA 3.23Å; L765-C769 WeakPolarHBondContact O-CA 3.32Å; L765-C769 WeakPolarHBondContact O-CB 3.38Å; L765-C769 PolarHBondContact O-N 3.2Å; L765-C769 VanDerWaalsContact O-O 3.07Å; L765-I777 HydrophobicContact CB-CD1 4.02Å; L765-I777 HydrophobicContact CB-CG1 4.46Å; L765-I777 HydrophobicContact CD1-CG1 4.19Å; L765-I777 HydrophobicContact CD1-CG2 4.37Å; L765-L780 HydrophobicContact CD1-CD1 3.66Å
766	I	80	Confident	76.8	Confident	78 Å²	78	66.5 Å²	66.5	40%	0.4	33%	0.328	S	S	.	.	H	α-helix	trans	-69.3	-47.1	172.7	-70.9	174.7	0	0	0	110.4	N762 D763 C769 L770 I777	N762-I766 WeakPolarHBondContact O-CB 3.46Å; N762-I766 WeakPolarHBondContact O-CG1 3.44Å; N762-I766 PolarHBondContact O-N 3.5Å; N762-I766 WeakPolarHBondContact OD1-CD1 3.24Å; D763-I766 PolarHBondContact O-N 3.15Å; I766-C769 CarbonylContact O-C 3.58Å; I766-L770 PolarHBondContact O-N 3.16Å; I766-I777 HydrophobicContact CG1-CD1 4.09Å
767	E	77.3	Confident	76.4	Confident	150 Å²	150	66.3 Å²	66.3	70%	0.701	33%	0.327	S	S	*	.	H	α-helix	trans	-63.9	-51.4	-179.4	-179.1	173.8	-177.9	0	0	112.2	D763	D763-E767 WeakPolarHBondContact O-CB 3.42Å; D763-E767 PolarHBondContact O-N 2.82Å
768	L	69.6	Low	76.1	Confident	28 Å²	28	67.8 Å²	67.8	15%	0.147	33%	0.333	C	S	.	.	H	α-helix	trans	-78.7	-28.4	-177.6	-65.3	-177.4	0	0	0	112.7	M737 R740 L741 E744 I764	M737-L768 HydrophobicContact CE-CB 3.73Å; M737-L768 HydrophobicContact CE-CD2 3.95Å; M737-L768 HydrophobicContact CE-CG 4.31Å; M737-L768 VanDerWaalsContact CE-O 3.31Å; M737-L768 WeakPolarHBondContact CE-O 3.46Å; M737-L768 HydrophobicContact SD-CB 4.28Å; R740-L768 HydrophobicContact CB-CD1 4.44Å; L741-L768 HydrophobicContact CD2-CD1 3.66Å; L741-L768 HydrophobicContact CG-CD1 3.89Å; E744-L768 HydrophobicContact CG-CD1 4.03Å; I764-L768 HydrophobicContact CG2-CD1 3.87Å; I764-L768 HydrophobicContact CG2-CG 4.44Å; I764-L768 WeakPolarHBondContact O-CB 3.36Å; I764-L768 PolarHBondContact O-N 3.13Å
769	C	69.1	Low	75.7	Confident	8 Å²	8	69.4 Å²	69.4	5%	0.054	34%	0.34	C	S	.	.			trans	-132.5	77.1	-175.2	-68.8	0	0	0	0	111.7	M737 L765 I766 Q771 V772	M737-C769 VanDerWaalsContact SD-SG 3.62Å; L765-C769 CarbonylContact O-C 3.27Å; L765-C769 VanDerWaalsContact O-C 3.27Å; L765-C769 VanDerWaalsContact O-CA 3.23Å; L765-C769 WeakPolarHBondContact O-CA 3.32Å; L765-C769 WeakPolarHBondContact O-CB 3.38Å; L765-C769 PolarHBondContact O-N 3.2Å; L765-C769 VanDerWaalsContact O-O 3.07Å; I766-C769 CarbonylContact O-C 3.58Å; C769-Q771 PolarHBondContact O-N 3.45Å; C769-V772 HydrophobicContact CB-CG2 3.57Å; C769-V772 WeakPolarHBondContact O-CG2 3.37Å; C769-V772 PolarHBondContact O-N 3.11Å; C769-V772 VanDerWaalsContact O-N 3.07Å
770	L	64	Low	75.4	Confident	156 Å²	156	62.7 Å²	62.7	82%	0.817	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	13.3	177.1	-61	168.7	0	0	0	117.9	I766	I766-L770 PolarHBondContact O-N 3.16Å
771	Q	63.4	Low	75.2	Confident	150 Å²	150	61.6 Å²	61.6	70%	0.701	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.1	14.5	-176.7	-66.9	-178.5	-14.8	0	0	112.9	C769	C769-Q771 PolarHBondContact O-N 3.45Å
772	V	68	Low	74.9	Confident	20 Å²	20	69.3 Å²	69.3	12%	0.121	34%	0.343	C	S	.	.			trans	-88.1	127.5	170.3	-166.1	0	0	0	0	108	L730 C769 E776 I777	L730-V772 HydrophobicContact CD1-CG1 4.26Å; L730-V772 HydrophobicContact CD1-CG2 3.77Å; L730-V772 HydrophobicContact CD2-CG1 4.06Å; C769-V772 HydrophobicContact CB-CG2 3.57Å; C769-V772 WeakPolarHBondContact O-CG2 3.37Å; C769-V772 PolarHBondContact O-N 3.11Å; C769-V772 VanDerWaalsContact O-N 3.07Å; V772-E776 HydrophobicContact CG1-CB 3.65Å; V772-I777 HydrophobicContact CB-CD1 4.26Å; V772-I777 HydrophobicContact CB-CG1 4.22Å; V772-I777 HydrophobicContact CG1-CD1 4.1Å; V772-I777 HydrophobicContact CG1-CG1 3.51Å
773	S	71.7	Confident	74.3	Confident	50 Å²	50	70.4 Å²	70.4	35%	0.35	35%	0.345	S	S	.	.			trans	-81.2	151.5	175	62.8	0	0	0	0	111.2	R775 E776 I777	S773-R775 PolarHBondContact O-N 2.67Å; S773-E776 WeakPolarHBondContact CB-OE2 3.41Å; S773-E776 PolarHBondContact N-OE2 2.97Å; S773-E776 WeakPolarHBondContact O-CB 3.47Å; S773-E776 PolarHBondContact O-N 3.23Å; S773-E776 WeakPolarHBondContact OG-CG 3.31Å; S773-E776 PolarHBondContact OG-OE2 2.81Å; S773-I777 PolarHBondContact O-N 3.14Å; S773-I777 VanDerWaalsContact O-N 3.17Å
774	D	77.9	Confident	73.8	Confident	104 Å²	104	67.2 Å²	67.2	56%	0.556	33%	0.328	S	S	*	.	H	α-helix	trans	-53.4	-30.8	179.5	-45	-79.2	0	0	0	112.4	I777 N778	D774-I777 PolarHBondContact O-N 3.13Å; D774-N778 WeakPolarHBondContact O-CB 3.29Å; D774-N778 PolarHBondContact O-N 2.81Å; D774-N778 PolarHBondContact O-ND2 3.38Å; D774-N778 VanDerWaalsContact O-ND2 3.09Å
775	R	73.2	Confident	73.7	Confident	205 Å²	205	68.4 Å²	68.4	77%	0.774	33%	0.334	S	S	*	.	H	α-helix	trans	-64.6	-42.3	175.9	-60.3	-178.2	-172.5	172.8	3.2	112.2	S773 I777 N778 D779	S773-R775 PolarHBondContact O-N 2.67Å; R775-I777 VanDerWaalsContact C-N 3.31Å; R775-N778 PolarHBondContact O-N 2.89Å; R775-D779 VanDerWaalsContact O-CB 3.24Å; R775-D779 WeakPolarHBondContact O-CB 3.26Å; R775-D779 PolarHBondContact O-N 3.02Å
776	E	71.7	Confident	73.2	Confident	30 Å²	30	73.4 Å²	73.4	14%	0.14	36%	0.36	C	S	.	.	H	α-helix	trans	-72.1	-27.4	177.7	-68.8	155.2	149.2	0	0	112	K727 L730 V772 S773 L780	K727-E776 HydrophobicContact CD-CG 4.25Å; K727-E776 VanDerWaalsContact CD-OE1 3.24Å; K727-E776 WeakPolarHBondContact CD-OE1 3.34Å; K727-E776 VanDerWaalsContact CE-OE1 3.3Å; K727-E776 WeakPolarHBondContact CE-OE1 3.29Å; K727-E776 IonicContact NZ-OE1 3.04Å; K727-E776 PolarHBondContact NZ-OE1 3.16Å; L730-E776 HydrophobicContact CD2-CB 4.15Å; V772-E776 HydrophobicContact CG1-CB 3.65Å; S773-E776 WeakPolarHBondContact CB-OE2 3.41Å; S773-E776 PolarHBondContact N-OE2 2.97Å; S773-E776 WeakPolarHBondContact O-CB 3.47Å; S773-E776 PolarHBondContact O-N 3.23Å; S773-E776 WeakPolarHBondContact OG-CG 3.31Å; S773-E776 PolarHBondContact OG-OE2 2.81Å; E776-L780 WeakPolarHBondContact O-CG 3.41Å; E776-L780 PolarHBondContact O-N 2.88Å
777	I	75.8	Confident	72.6	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-75.5	-44.9	173.2	-57	-178.9	0	0	0	110.1	N762 L765 I766 V772 S773 D774 R775 D779 L780 I781	N762-I777 HydrophobicContact CB-CG2 4.04Å; N762-I777 WeakPolarHBondContact OD1-CD1 3.34Å; L765-I777 HydrophobicContact CB-CD1 4.02Å; L765-I777 HydrophobicContact CB-CG1 4.46Å; L765-I777 HydrophobicContact CD1-CG1 4.19Å; L765-I777 HydrophobicContact CD1-CG2 4.37Å; I766-I777 HydrophobicContact CG1-CD1 4.09Å; V772-I777 HydrophobicContact CB-CD1 4.26Å; V772-I777 HydrophobicContact CB-CG1 4.22Å; V772-I777 HydrophobicContact CG1-CD1 4.1Å; V772-I777 HydrophobicContact CG1-CG1 3.51Å; S773-I777 PolarHBondContact O-N 3.14Å; S773-I777 VanDerWaalsContact O-N 3.17Å; D774-I777 PolarHBondContact O-N 3.13Å; R775-I777 VanDerWaalsContact C-N 3.31Å; I777-D779 VanDerWaalsContact C-N 3.32Å; I777-D779 PolarHBondContact O-N 3.13Å; I777-L780 WeakPolarHBondContact O-CA 3.35Å; I777-L780 WeakPolarHBondContact O-CB 3.32Å; I777-L780 PolarHBondContact O-N 3.09Å; I777-I781 HydrophobicContact CG2-CD1 3.92Å; I777-I781 HydrophobicContact CG2-CG1 4.4Å; I777-I781 VanDerWaalsContact O-CG1 3.29Å; I777-I781 WeakPolarHBondContact O-CG1 3.5Å; I777-I781 PolarHBondContact O-N 3.44Å
778	N	79.1	Confident	72.1	Confident	91 Å²	91	77.5 Å²	77.5	49%	0.487	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-41.2	172.5	-69.8	-30	0	0	0	111.8	D774 R775 L780 I781 E782	D774-N778 WeakPolarHBondContact O-CB 3.29Å; D774-N778 PolarHBondContact O-N 2.81Å; D774-N778 PolarHBondContact O-ND2 3.38Å; D774-N778 VanDerWaalsContact O-ND2 3.09Å; R775-N778 PolarHBondContact O-N 2.89Å; N778-L780 PolarHBondContact O-N 3.1Å; N778-I781 PolarHBondContact O-N 2.88Å; N778-I781 VanDerWaalsContact O-N 3.17Å; N778-E782 PolarHBondContact O-N 3.49Å
779	D	75.4	Confident	72.4	Confident	68 Å²	68	79.6 Å²	79.6	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-58.8	-25	171.2	-85.1	-2.3	0	0	0	113.3	R775 I777 K783	R775-D779 VanDerWaalsContact O-CB 3.24Å; R775-D779 WeakPolarHBondContact O-CB 3.26Å; R775-D779 PolarHBondContact O-N 3.02Å; I777-D779 VanDerWaalsContact C-N 3.32Å; I777-D779 PolarHBondContact O-N 3.13Å; D779-K783 WeakPolarHBondContact O-CD 3.47Å; D779-K783 WeakPolarHBondContact O-CE 3.4Å; D779-K783 WeakPolarHBondContact O-CG 3.44Å; D779-K783 PolarHBondContact O-NZ 3.5Å; D779-K783 VanDerWaalsContact O-NZ 3.09Å
780	L	75.3	Confident	72.5	Confident	3 Å²	3	80.9 Å²	80.9	2%	0.016	40%	0.4	C	S	.	.	H	α-helix	trans	-85.6	-44.3	171.5	-72.9	179.9	0	0	0	111.4	I726 L730 L761 L765 E776 I777 N778 E782 K783 F784 L797	I726-L780 HydrophobicContact CD1-CD2 3.6Å; I726-L780 HydrophobicContact CG1-CD2 3.77Å; I726-L780 HydrophobicContact CG2-CD2 4.36Å; L730-L780 HydrophobicContact CD2-CD1 3.82Å; L730-L780 HydrophobicContact CD2-CG 4.21Å; L761-L780 HydrophobicContact CD2-CB 4.35Å; L765-L780 HydrophobicContact CD1-CD1 3.66Å; E776-L780 WeakPolarHBondContact O-CG 3.41Å; E776-L780 PolarHBondContact O-N 2.88Å; I777-L780 WeakPolarHBondContact O-CA 3.35Å; I777-L780 WeakPolarHBondContact O-CB 3.32Å; I777-L780 PolarHBondContact O-N 3.09Å; N778-L780 PolarHBondContact O-N 3.1Å; L780-E782 VanDerWaalsContact C-N 3.35Å; L780-E782 PolarHBondContact O-N 2.84Å; L780-K783 PolarHBondContact O-N 3.43Å; L780-K783 VanDerWaalsContact O-N 3.12Å; L780-F784 HydrophobicContact CD2-CD2 4.14Å; L780-F784 HydrophobicContact CD2-CE2 3.8Å; L780-F784 WeakPolarHBondContact O-CD2 3.46Å; L780-F784 PolarHBondContact O-N 3.09Å; L780-L797 HydrophobicContact CD1-CD1 4.44Å; L780-L797 HydrophobicContact CD2-CD1 4Å
781	I	79.1	Confident	73.3	Confident	29 Å²	29	78.1 Å²	78.1	15%	0.149	38%	0.381	C	S	.	.	H	α-helix	trans	-54.5	-51.6	178.5	-65.5	162	0	0	0	109.8	P758 L761 I777 N778 K783 F784 D785 I792	P758-I781 HydrophobicContact CB-CD1 3.99Å; P758-I781 HydrophobicContact CB-CG1 4.11Å; P758-I781 HydrophobicContact CB-CG2 4.04Å; P758-I781 HydrophobicContact CG-CG2 4.07Å; L761-I781 HydrophobicContact CD2-CG1 4.48Å; I777-I781 HydrophobicContact CG2-CD1 3.92Å; I777-I781 HydrophobicContact CG2-CG1 4.4Å; I777-I781 VanDerWaalsContact O-CG1 3.29Å; I777-I781 WeakPolarHBondContact O-CG1 3.5Å; I777-I781 PolarHBondContact O-N 3.44Å; N778-I781 PolarHBondContact O-N 2.88Å; N778-I781 VanDerWaalsContact O-N 3.17Å; I781-K783 VanDerWaalsContact C-N 3.26Å; I781-K783 PolarHBondContact O-N 2.96Å; I781-F784 PolarHBondContact O-N 3.46Å; I781-D785 WeakPolarHBondContact O-CB 3.45Å; I781-D785 PolarHBondContact O-N 3.34Å; I781-I792 HydrophobicContact CB-CD1 4.12Å; I781-I792 HydrophobicContact CG1-CD1 3.69Å; I781-I792 HydrophobicContact CG2-CD1 4.15Å
782	E	77.6	Confident	74	Confident	163 Å²	163	71 Å²	71	76%	0.762	35%	0.348	S	S	*	.	H	α-helix	trans	-64	-28	-179.9	-172.6	175.5	-164.4	0	0	113.4	N778 L780	N778-E782 PolarHBondContact O-N 3.49Å; L780-E782 VanDerWaalsContact C-N 3.35Å; L780-E782 PolarHBondContact O-N 2.84Å
783	K	71.7	Confident	74.6	Confident	62 Å²	62	70.7 Å²	70.7	27%	0.27	35%	0.347	S	S	.	.	H	α-helix	trans	-87.8	-20.6	-178.7	-69.3	173.9	-159.1	140.9	0	114	V722 L725 D779 L780 I781	V722-K783 HydrophobicContact CG1-CB 4.34Å; V722-K783 HydrophobicContact CG1-CD 4.45Å; L725-K783 HydrophobicContact CB-CD 4.24Å; L725-K783 PolarHBondContact O-NZ 3.47Å; D779-K783 WeakPolarHBondContact O-CD 3.47Å; D779-K783 WeakPolarHBondContact O-CE 3.4Å; D779-K783 WeakPolarHBondContact O-CG 3.44Å; D779-K783 PolarHBondContact O-NZ 3.5Å; D779-K783 VanDerWaalsContact O-NZ 3.09Å; L780-K783 PolarHBondContact O-N 3.43Å; L780-K783 VanDerWaalsContact O-N 3.12Å; I781-K783 VanDerWaalsContact C-N 3.26Å; I781-K783 PolarHBondContact O-N 2.96Å
784	F	71.9	Confident	74.9	Confident	9 Å²	9	68.6 Å²	68.6	4%	0.039	33%	0.331	C	S	.	.	H	α-helix	trans	-122.3	-4.3	-174.9	-65.7	-76.9	0	0	0	115	I726 L780 I781 I786 I792 S793 A796 L797	I726-F784 HydrophobicContact CD1-CE2 4.08Å; I726-F784 HydrophobicContact CD1-CZ 4.32Å; L780-F784 HydrophobicContact CD2-CD2 4.14Å; L780-F784 HydrophobicContact CD2-CE2 3.8Å; L780-F784 WeakPolarHBondContact O-CD2 3.46Å; L780-F784 PolarHBondContact O-N 3.09Å; I781-F784 PolarHBondContact O-N 3.46Å; F784-I786 PolarHBondContact O-N 3.01Å; F784-I786 VanDerWaalsContact O-N 3.08Å; F784-I792 HydrophobicContact CB-CG2 3.69Å; F784-S793 PolarHBondContact O-N 3.47Å; F784-A796 HydrophobicContact CD1-CB 3.98Å; F784-A796 HydrophobicContact CE1-CB 4.32Å; F784-L797 HydrophobicContact CD1-CB 4.37Å; F784-L797 HydrophobicContact CD2-CD1 3.78Å; F784-L797 HydrophobicContact CE1-CB 4.44Å; F784-L797 HydrophobicContact CE2-CD1 3.53Å; F784-L797 HydrophobicContact CG-CB 4.49Å; F784-L797 HydrophobicContact CG-CD1 4.42Å; F784-L797 HydrophobicContact CZ-CD1 3.96Å
785	D	78.8	Confident	74.8	Confident	30 Å²	30	64.9 Å²	64.9	16%	0.16	31%	0.312	C	S	.	.			trans	-77.1	73.5	157.2	-172.7	-5.5	0	0	0	109.7	I781 H787 K788 D789 G790 I792	I781-D785 WeakPolarHBondContact O-CB 3.45Å; I781-D785 PolarHBondContact O-N 3.34Å; D785-H787 PolarHBondContact O-N 2.93Å; D785-K788 PolarHBondContact O-N 2.75Å; D785-K788 WeakPolarHBondContact OD1-CA 3.29Å; D785-K788 PolarHBondContact OD1-N 3.19Å; D785-D789 PolarHBondContact OD1-N 2.98Å; D785-D789 VanDerWaalsContact OD1-N 3.09Å; D785-G790 WeakPolarHBondContact OD2-CA 3.33Å; D785-G790 PolarHBondContact OD2-N 2.74Å; D785-G790 VanDerWaalsContact OD2-N 3.13Å; D785-I792 HydrophobicContact CB-CG1 4.47Å
786	I	66.6	Low	74.8	Confident	106 Å²	106	56.2 Å²	56.2	54%	0.544	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.2	-174.7	-64.2	169.3	0	0	0	111.9	F784 A796	F784-I786 PolarHBondContact O-N 3.01Å; F784-I786 VanDerWaalsContact O-N 3.08Å; I786-A796 HydrophobicContact CD1-CB 4.09Å
787	H	67	Low	75	Confident	124 Å²	124	55 Å²	55	57%	0.574	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-8.8	-173.4	-62.9	-60.1	0	0	0	113.9	D785 D789	D785-H787 PolarHBondContact O-N 2.93Å; H787-D789 HydrophobicContact CB-CB 4.1Å; H787-D789 PolarHBondContact O-N 2.75Å
788	K	67.7	Low	75.1	Confident	191 Å²	191	55 Å²	55	83%	0.83	28%	0.278	S	S	*	.	S	Bend	trans	54.7	31.6	-168.2	-57.8	-171.4	176.1	-170.3	0	112.4	D785	D785-K788 PolarHBondContact O-N 2.75Å; D785-K788 WeakPolarHBondContact OD1-CA 3.29Å; D785-K788 PolarHBondContact OD1-N 3.19Å
789	D	75.9	Confident	74.7	Confident	71 Å²	71	53.3 Å²	53.3	38%	0.38	27%	0.267	S	S	.	.	S	Bend	trans	-101.2	8.6	-177.9	81	-34.3	0	0	0	112.3	D785 H787 K791	D785-D789 PolarHBondContact OD1-N 2.98Å; D785-D789 VanDerWaalsContact OD1-N 3.09Å; H787-D789 HydrophobicContact CB-CB 4.1Å; H787-D789 PolarHBondContact O-N 2.75Å; D789-K791 VanDerWaalsContact C-N 3.29Å; D789-K791 WeakPolarHBondContact OD1-CB 3.24Å; D789-K791 PolarHBondContact OD1-N 3.12Å; D789-K791 VanDerWaalsContact OD1-N 3.09Å; D789-K791 IonicContact OD2-NZ 2.58Å; D789-K791 PolarHBondContact OD2-NZ 3.14Å
790	G	71.6	Confident	74.3	Confident	35 Å²	35	51 Å²	51	36%	0.361	26%	0.256	S	S	.	.	S	Bend	trans	72.3	22.1	-176.5	0	0	0	0	0	112.9	P758 D785	P758-G790 WeakPolarHBondContact CD-O 3.33Å; D785-G790 WeakPolarHBondContact OD2-CA 3.33Å; D785-G790 PolarHBondContact OD2-N 2.74Å; D785-G790 VanDerWaalsContact OD2-N 3.13Å
791	K	79.5	Confident	74	Confident	98 Å²	98	50.8 Å²	50.8	43%	0.426	26%	0.255	S	S	.	.			trans	-126.4	125.4	175.7	-51.8	-165.6	-158.1	79.2	0	111.6	F755 D789	F755-K791 HydrophobicContact CB-CB 4.13Å; F755-K791 HydrophobicContact CB-CD 4.38Å; F755-K791 HydrophobicContact CD1-CB 3.98Å; F755-K791 HydrophobicContact CG-CB 4.35Å; D789-K791 VanDerWaalsContact C-N 3.29Å; D789-K791 WeakPolarHBondContact OD1-CB 3.24Å; D789-K791 PolarHBondContact OD1-N 3.12Å; D789-K791 VanDerWaalsContact OD1-N 3.09Å; D789-K791 IonicContact OD2-NZ 2.58Å; D789-K791 PolarHBondContact OD2-NZ 3.14Å
792	I	79.5	Confident	73.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-95.1	127	-178.9	-65.6	167.4	0	0	0	109.2	F755 I756 P758 L761 I781 F784 D785 Y794	F755-I792 WeakPolarHBondContact CA-O 3.49Å; I756-I792 HydrophobicContact CG1-CB 4.22Å; I756-I792 PolarHBondContact N-O 3.31Å; I756-I792 PolarHBondContact O-N 3.29Å; P758-I792 HydrophobicContact CB-CD1 4.06Å; P758-I792 HydrophobicContact CG-CD1 3.98Å; P758-I792 HydrophobicContact CG-CG1 4.33Å; L761-I792 HydrophobicContact CB-CD1 4.14Å; L761-I792 HydrophobicContact CD2-CD1 3.63Å; L761-I792 HydrophobicContact CD2-CG2 4.23Å; I781-I792 HydrophobicContact CB-CD1 4.12Å; I781-I792 HydrophobicContact CG1-CD1 3.69Å; I781-I792 HydrophobicContact CG2-CD1 4.15Å; F784-I792 HydrophobicContact CB-CG2 3.69Å; D785-I792 HydrophobicContact CB-CG1 4.47Å; I792-Y794 PolarHBondContact O-N 3.23Å; I792-Y794 VanDerWaalsContact O-N 3.11Å
793	S	80	Confident	72.6	Confident	15 Å²	15	44.1 Å²	44.1	11%	0.105	22%	0.221	C	C	.	.			trans	-77.4	98.7	173	-173	0	0	0	0	110.6	G754 F784 L795 A796 L797	G754-S793 WeakPolarHBondContact O-CA 3.4Å; G754-S793 PolarHBondContact O-OG 3.32Å; F784-S793 PolarHBondContact O-N 3.47Å; S793-L795 PolarHBondContact O-N 3.07Å; S793-A796 PolarHBondContact O-N 2.9Å; S793-A796 VanDerWaalsContact O-N 3.1Å; S793-A796 PolarHBondContact OG-N 3.43Å; S793-L797 PolarHBondContact O-N 3.44Å
794	Y	78.5	Confident	72.1	Confident	5 Å²	5	43.9 Å²	43.9	2%	0.02	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-24.3	174	74.5	-93.8	0	0	0	111.8	F745 D749 G754 I756 I792 L797 L798	F745-Y794 HydrophobicContact CB-CD1 4.37Å; F745-Y794 HydrophobicContact CB-CD2 3.55Å; F745-Y794 HydrophobicContact CB-CE2 3.78Å; F745-Y794 HydrophobicContact CB-CG 3.87Å; F745-Y794 AromaticContact CD2-CD2 3.85Å; F745-Y794 HydrophobicContact CD2-CD2 3.85Å; F745-Y794 HydrophobicContact CD2-CG 4.17Å; F745-Y794 AromaticContact CG-CD2 3.89Å; F745-Y794 HydrophobicContact CG-CD2 3.89Å; F745-Y794 AromaticContact CG-CG 3.98Å; F745-Y794 HydrophobicContact CG-CG 3.98Å; D749-Y794 HydrophobicContact CB-CE1 4.12Å; D749-Y794 WeakPolarHBondContact OD2-CE1 3.48Å; D749-Y794 PolarHBondContact OD2-OH 2.83Å; G754-Y794 VanDerWaalsContact C-CD1 3.4Å; G754-Y794 WeakPolarHBondContact O-CD1 3.44Å; G754-Y794 PolarHBondContact O-N 2.86Å; I756-Y794 HydrophobicContact CG2-CD1 3.95Å; I756-Y794 HydrophobicContact CG2-CE1 4.49Å; I792-Y794 PolarHBondContact O-N 3.23Å; I792-Y794 VanDerWaalsContact O-N 3.11Å; Y794-L797 PolarHBondContact O-N 2.96Å; Y794-L798 WeakPolarHBondContact O-CB 3.18Å; Y794-L798 WeakPolarHBondContact O-CG 3.49Å; Y794-L798 PolarHBondContact O-N 2.89Å
795	L	74.5	Confident	71.6	Confident	27 Å²	27	45 Å²	45	14%	0.141	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-44.6	171	-57.9	-178	0	0	0	111.3	G754 S793 L798 Q799 L821 I825	G754-L795 VanDerWaalsContact CA-CD1 3.46Å; S793-L795 PolarHBondContact O-N 3.07Å; L795-L798 PolarHBondContact O-N 3.28Å; L795-Q799 WeakPolarHBondContact O-CB 3.28Å; L795-Q799 PolarHBondContact O-N 3.13Å; L795-L821 HydrophobicContact CD2-CD1 4.41Å; L795-I825 HydrophobicContact CB-CD1 3.84Å; L795-I825 HydrophobicContact CB-CG1 3.98Å; L795-I825 HydrophobicContact CD2-CD1 3.68Å; L795-I825 HydrophobicContact CD2-CG1 3.96Å; L795-I825 HydrophobicContact CG-CD1 4.3Å; L795-I825 HydrophobicContact CG-CG1 4.36Å
796	A	73.1	Confident	70.6	Confident	23 Å²	23	45 Å²	45	19%	0.19	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-37.3	175.3	0	0	0	0	0	112.4	F784 I786 S793 L798	F784-A796 HydrophobicContact CD1-CB 3.98Å; F784-A796 HydrophobicContact CE1-CB 4.32Å; I786-A796 HydrophobicContact CD1-CB 4.09Å; S793-A796 PolarHBondContact O-N 2.9Å; S793-A796 VanDerWaalsContact O-N 3.1Å; S793-A796 PolarHBondContact OG-N 3.43Å; A796-L798 VanDerWaalsContact C-N 3.32Å; A796-L798 PolarHBondContact O-N 3.35Å
797	L	77.1	Confident	70.1	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-59.3	-41.4	173.3	-178.3	68.5	0	0	0	111.9	F745 L761 L780 F784 S793 Y794 F801	F745-L797 HydrophobicContact CE2-CD2 4.31Å; F745-L797 HydrophobicContact CZ-CD2 4.02Å; L761-L797 HydrophobicContact CD1-CD2 4Å; L780-L797 HydrophobicContact CD1-CD1 4.44Å; L780-L797 HydrophobicContact CD2-CD1 4Å; F784-L797 HydrophobicContact CD1-CB 4.37Å; F784-L797 HydrophobicContact CD2-CD1 3.78Å; F784-L797 HydrophobicContact CE1-CB 4.44Å; F784-L797 HydrophobicContact CE2-CD1 3.53Å; F784-L797 HydrophobicContact CG-CB 4.49Å; F784-L797 HydrophobicContact CG-CD1 4.42Å; F784-L797 HydrophobicContact CZ-CD1 3.96Å; S793-L797 PolarHBondContact O-N 3.44Å; Y794-L797 PolarHBondContact O-N 2.96Å; L797-F801 WeakPolarHBondContact O-CD2 3.14Å; L797-F801 WeakPolarHBondContact O-CE2 3.03Å
798	L	77.3	Confident	69.5	Low	1 Å²	1	46 Å²	46	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-88.7	-22.3	-175.8	-68.6	-174.5	0	0	0	115.1	I734 F738 Y742 F745 Y794 L795 A796 P800 F801 I802	I734-L798 HydrophobicContact CG2-CD2 4.23Å; F738-L798 HydrophobicContact CD2-CD2 3.93Å; F738-L798 HydrophobicContact CE2-CB 4.08Å; F738-L798 HydrophobicContact CE2-CD1 4.26Å; F738-L798 HydrophobicContact CE2-CD2 3.91Å; F738-L798 HydrophobicContact CE2-CG 4.31Å; Y742-L798 HydrophobicContact CD2-CD1 3.87Å; Y742-L798 HydrophobicContact CG-CD1 4.43Å; F745-L798 HydrophobicContact CD2-CD1 3.89Å; F745-L798 HydrophobicContact CD2-CG 4.47Å; F745-L798 HydrophobicContact CE2-CD1 4.14Å; F745-L798 HydrophobicContact CE2-CD2 4.34Å; F745-L798 HydrophobicContact CE2-CG 4.27Å; Y794-L798 WeakPolarHBondContact O-CB 3.18Å; Y794-L798 WeakPolarHBondContact O-CG 3.49Å; Y794-L798 PolarHBondContact O-N 2.89Å; L795-L798 PolarHBondContact O-N 3.28Å; A796-L798 VanDerWaalsContact C-N 3.32Å; A796-L798 PolarHBondContact O-N 3.35Å; L798-P800 VanDerWaalsContact C-N 3.31Å; L798-P800 VanDerWaalsContact O-N 3.13Å; L798-F801 PolarHBondContact O-N 2.95Å; L798-I802 HydrophobicContact CB-CD1 4.17Å; L798-I802 WeakPolarHBondContact O-CG1 3.17Å; L798-I802 PolarHBondContact O-N 2.94Å; L798-I802 VanDerWaalsContact O-N 3.11Å
799	Q	70.7	Confident	68.5	Low	55 Å²	55	38.7 Å²	38.7	26%	0.257	20%	0.203	S	C	.	.	H	α-helix	trans	-43.7	-44.4	-179.9	-177.8	179.3	56.3	0	0	114.9	L795 I802 R803 I825	L795-Q799 WeakPolarHBondContact O-CB 3.28Å; L795-Q799 PolarHBondContact O-N 3.13Å; Q799-I802 PolarHBondContact O-N 3.15Å; Q799-R803 PolarHBondContact O-N 2.9Å; Q799-I825 HydrophobicContact CB-CG2 3.6Å; Q799-I825 HydrophobicContact CG-CG2 3.65Å
800	P	67.1	Low	67.2	Low	19 Å²	19	42 Å²	42	12%	0.123	22%	0.221	C	C	.	.	H	α-helix	trans	-73.9	-29.5	-176.4	-18.7	35.3	0	0	0	113.3	T723 L798	T723-P800 HydrophobicContact CG2-CB 3.65Å; T723-P800 HydrophobicContact CG2-CG 3.63Å; T723-P800 WeakPolarHBondContact OG1-CB 3.49Å; T723-P800 WeakPolarHBondContact OG1-CG 3.38Å; L798-P800 VanDerWaalsContact C-N 3.31Å; L798-P800 VanDerWaalsContact O-N 3.13Å
801	F	69.4	Low	66	Low	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-74.8	-34.4	177.2	-58	-82	0	0	0	110.9	T723 R731 I734 D735 F738 L797 L798 N804 R805	T723-F801 HydrophobicContact CG2-CE2 3.86Å; T723-F801 HydrophobicContact CG2-CZ 3.93Å; R731-F801 HydrophobicContact CG-CE1 3.89Å; R731-F801 HydrophobicContact CG-CZ 4.19Å; R731-F801 VanDerWaalsContact O-CE1 3.3Å; R731-F801 WeakPolarHBondContact O-CE1 3.12Å; I734-F801 HydrophobicContact CB-CE1 4.06Å; I734-F801 HydrophobicContact CB-CE2 4.26Å; I734-F801 HydrophobicContact CB-CZ 3.83Å; I734-F801 HydrophobicContact CD1-CZ 4.46Å; I734-F801 HydrophobicContact CG2-CD1 4.13Å; I734-F801 HydrophobicContact CG2-CD2 3.75Å; I734-F801 HydrophobicContact CG2-CE1 3.89Å; I734-F801 HydrophobicContact CG2-CE2 3.49Å; I734-F801 VanDerWaalsContact CG2-CE2 3.49Å; I734-F801 HydrophobicContact CG2-CG 4.06Å; I734-F801 HydrophobicContact CG2-CZ 3.56Å; D735-F801 HydrophobicContact CB-CD1 3.74Å; D735-F801 HydrophobicContact CB-CE1 4.13Å; F738-F801 HydrophobicContact CD2-CB 3.82Å; F738-F801 HydrophobicContact CE2-CB 3.94Å; L797-F801 WeakPolarHBondContact O-CD2 3.14Å; L797-F801 WeakPolarHBondContact O-CE2 3.03Å; L798-F801 PolarHBondContact O-N 2.95Å; F801-N804 PolarHBondContact O-N 3.06Å; F801-R805 WeakPolarHBondContact O-CB 3.21Å; F801-R805 WeakPolarHBondContact O-CG 3.37Å; F801-R805 PolarHBondContact O-N 3.47Å
802	I	66.4	Low	64.4	Low	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-44.6	174.4	-67.4	157.9	0	0	0	111.5	F738 L798 Q799 N804 R805 L806 L821 A822 I825 L826	F738-I802 HydrophobicContact CE2-CG1 3.79Å; F738-I802 HydrophobicContact CZ-CD1 4.3Å; F738-I802 HydrophobicContact CZ-CG1 3.54Å; L798-I802 HydrophobicContact CB-CD1 4.17Å; L798-I802 WeakPolarHBondContact O-CG1 3.17Å; L798-I802 PolarHBondContact O-N 2.94Å; L798-I802 VanDerWaalsContact O-N 3.11Å; Q799-I802 PolarHBondContact O-N 3.15Å; I802-N804 VanDerWaalsContact C-N 3.35Å; I802-N804 PolarHBondContact O-N 2.91Å; I802-R805 CarbonylContact O-C 3.18Å; I802-R805 PolarHBondContact O-N 3.37Å; I802-R805 VanDerWaalsContact O-N 3.12Å; I802-L806 HydrophobicContact CG2-CD1 3.75Å; I802-L806 HydrophobicContact CG2-CG 4.03Å; I802-L806 WeakPolarHBondContact O-CB 3.12Å; I802-L806 VanDerWaalsContact O-CG 3.32Å; I802-L806 WeakPolarHBondContact O-CG 3.31Å; I802-L806 PolarHBondContact O-N 2.94Å; I802-L821 HydrophobicContact CD1-CD1 4.28Å; I802-L821 HydrophobicContact CD1-CD2 3.75Å; I802-L821 HydrophobicContact CD1-CG 3.67Å; I802-L821 HydrophobicContact CG1-CD2 4.06Å; I802-L821 HydrophobicContact CG1-CG 4.34Å; I802-A822 HydrophobicContact CG2-CB 4.03Å; I802-I825 HydrophobicContact CD1-CD1 3.47Å; I802-I825 VanDerWaalsContact CD1-CD1 3.47Å; I802-I825 HydrophobicContact CD1-CG2 4.47Å; I802-L826 HydrophobicContact CG2-CD1 3.99Å
803	R	61.2	Low	62.8	Low	52 Å²	52	54.1 Å²	54.1	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-57.6	-45.8	177.6	-81	-172.8	171	175.1	-1.1	112.3	N720 Q799 R805 L806 L807 L826 E830	N720-R803 PolarHBondContact ND2-NH1 3.42Å; N720-R803 PolarHBondContact OD1-NH1 3.04Å; Q799-R803 PolarHBondContact O-N 2.9Å; R803-R805 VanDerWaalsContact C-N 3.31Å; R803-R805 PolarHBondContact O-N 3.07Å; R803-L806 PolarHBondContact O-N 3.44Å; R803-L807 WeakPolarHBondContact O-CG 3.28Å; R803-L807 PolarHBondContact O-N 3.28Å; R803-L807 VanDerWaalsContact O-N 3.12Å; R803-L826 HydrophobicContact CG-CD2 3.83Å; R803-E830 IonicContact CZ-OE2 3.03Å; R803-E830 IonicContact NH2-OE1 3.2Å; R803-E830 IonicContact NH2-OE2 3.39Å; R803-E830 PolarHBondContact NH2-OE2 3.32Å
804	N	60.6	Low	61.5	Low	56 Å²	56	56.7 Å²	56.7	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-35.2	176.6	-75.5	-3.6	0	0	0	112.9	F801 I802 K808	F801-N804 PolarHBondContact O-N 3.06Å; I802-N804 VanDerWaalsContact C-N 3.35Å; I802-N804 PolarHBondContact O-N 2.91Å; N804-K808 VanDerWaalsContact O-CG 3.31Å; N804-K808 WeakPolarHBondContact O-CG 3.14Å; N804-K808 PolarHBondContact O-N 2.94Å
805	R	61.5	Low	60.3	Low	32 Å²	32	62.3 Å²	62.3	12%	0.121	31%	0.312	C	S	.	.	H	α-helix	trans	-78.2	-31.2	179.2	-75.9	165	158.3	-101.2	-1.8	112.9	D735 F738 D739 F801 I802 R803 K808 S809	D735-R805 PolarHBondContact O-NH2 3.48Å; D735-R805 IonicContact OD1-NE 3.8Å; D735-R805 PolarHBondContact OD1-NE 2.93Å; F738-R805 VanDerWaalsContact CB-CZ 3.43Å; D739-R805 IonicContact OD1-NH1 3.28Å; D739-R805 IonicContact OD2-CZ 3.67Å; D739-R805 IonicContact OD2-NH1 2.7Å; D739-R805 PolarHBondContact OD2-NH1 2.93Å; D739-R805 IonicContact OD2-NH2 2.69Å; D739-R805 PolarHBondContact OD2-NH2 3.36Å; F801-R805 WeakPolarHBondContact O-CB 3.21Å; F801-R805 WeakPolarHBondContact O-CG 3.37Å; F801-R805 PolarHBondContact O-N 3.47Å; I802-R805 CarbonylContact O-C 3.18Å; I802-R805 PolarHBondContact O-N 3.37Å; I802-R805 VanDerWaalsContact O-N 3.12Å; R803-R805 VanDerWaalsContact C-N 3.31Å; R803-R805 PolarHBondContact O-N 3.07Å; R805-K808 CarbonylContact O-C 3.46Å; R805-K808 PolarHBondContact O-N 3.28Å; R805-S809 WeakPolarHBondContact O-CA 3.3Å; R805-S809 WeakPolarHBondContact O-CB 3.33Å; R805-S809 PolarHBondContact O-N 2.93Å; R805-S809 VanDerWaalsContact O-N 3.14Å
806	L	57.3	Low	59.5	Low	30 Å²	30	64.9 Å²	64.9	16%	0.157	33%	0.33	C	S	.	.	H	α-helix	trans	-64.9	-46.7	170.5	-74	170.3	0	0	0	111.8	I802 R803 K808 S809 I818 A822	I802-L806 HydrophobicContact CG2-CD1 3.75Å; I802-L806 HydrophobicContact CG2-CG 4.03Å; I802-L806 WeakPolarHBondContact O-CB 3.12Å; I802-L806 VanDerWaalsContact O-CG 3.32Å; I802-L806 WeakPolarHBondContact O-CG 3.31Å; I802-L806 PolarHBondContact O-N 2.94Å; R803-L806 PolarHBondContact O-N 3.44Å; L806-K808 PolarHBondContact O-N 3.39Å; L806-S809 WeakPolarHBondContact O-CB 3.38Å; L806-S809 PolarHBondContact O-N 3.2Å; L806-S809 VanDerWaalsContact O-N 3.07Å; L806-S809 PolarHBondContact O-OG 3.25Å; L806-I818 HydrophobicContact CD2-CG2 4.07Å; L806-A822 HydrophobicContact CD1-CB 3.79Å; L806-A822 HydrophobicContact CD2-CB 3.9Å; L806-A822 HydrophobicContact CG-CB 4.3Å
807	L	55.6	Low	58.8	Low	126 Å²	126	67.2 Å²	67.2	66%	0.66	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.3	177	-68.4	168	0	0	0	113.4	R803	R803-L807 WeakPolarHBondContact O-CG 3.28Å; R803-L807 PolarHBondContact O-N 3.28Å; R803-L807 VanDerWaalsContact O-N 3.12Å
808	K	54	Low	57.9	Low	127 Å²	127	67.4 Å²	67.4	55%	0.552	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	9.3	175.4	-63.3	173.2	-176.1	178.1	0	113.4	N804 R805 L806 D810	N804-K808 VanDerWaalsContact O-CG 3.31Å; N804-K808 WeakPolarHBondContact O-CG 3.14Å; N804-K808 PolarHBondContact O-N 2.94Å; R805-K808 CarbonylContact O-C 3.46Å; R805-K808 PolarHBondContact O-N 3.28Å; L806-K808 PolarHBondContact O-N 3.39Å; K808-D810 PolarHBondContact O-N 2.86Å
809	S	48.4	Very low	56.9	Low	37 Å²	37	70.2 Å²	70.2	26%	0.259	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-73.6	-12.5	-158.5	62.4	0	0	0	0	117.3	R805 L806 L811 I812	R805-S809 WeakPolarHBondContact O-CA 3.3Å; R805-S809 WeakPolarHBondContact O-CB 3.33Å; R805-S809 PolarHBondContact O-N 2.93Å; R805-S809 VanDerWaalsContact O-N 3.14Å; L806-S809 WeakPolarHBondContact O-CB 3.38Å; L806-S809 PolarHBondContact O-N 3.2Å; L806-S809 VanDerWaalsContact O-N 3.07Å; L806-S809 PolarHBondContact O-OG 3.25Å; S809-L811 PolarHBondContact O-N 3.29Å; S809-I812 PolarHBondContact O-N 3.16Å
810	D	47	Very low	56.4	Low	140 Å²	140	72.5 Å²	72.5	75%	0.749	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-65.3	-7.4	176.8	-78.1	-32.1	0	0	0	114.4	K808	K808-D810 PolarHBondContact O-N 2.86Å
811	L	46.3	Very low	56.2	Low	150 Å²	150	71.7 Å²	71.7	79%	0.785	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-105.8	-6.2	-176.9	-70	161.2	0	0	0	114.5	S809	S809-L811 PolarHBondContact O-N 3.29Å
812	I	46.4	Very low	55.6	Low	47 Å²	47	71.7 Å²	71.7	24%	0.241	36%	0.364	C	S	.	.			trans	-112.8	120.9	-164.4	-47.9	179.1	0	0	0	112.2	S809 N814 K815 I818	S809-I812 PolarHBondContact O-N 3.16Å; I812-N814 HydrophobicContact CG2-CB 4.03Å; I812-N814 PolarHBondContact O-N 3.33Å; I812-K815 PolarHBondContact O-N 3.32Å; I812-I818 HydrophobicContact CB-CD1 4.36Å; I812-I818 HydrophobicContact CD1-CD1 4.12Å; I812-I818 HydrophobicContact CG2-CD1 3.82Å
813	H	46.7	Very low	55.4	Low	190 Å²	190	73.8 Å²	73.8	88%	0.88	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.2	177.8	-110.6	59.2	0	0	0	113.6	K815	H813-K815 PolarHBondContact O-N 3.31Å
814	N	51.9	Low	55.4	Low	69 Å²	69	76.7 Å²	76.7	37%	0.369	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	21.9	178.7	-61.9	-8.4	0	0	0	113.9	D739 I812 V817 I818	D739-N814 PolarHBondContact OD1-ND2 3.11Å; I812-N814 HydrophobicContact CG2-CB 4.03Å; I812-N814 PolarHBondContact O-N 3.33Å; N814-V817 PolarHBondContact O-N 3.12Å; N814-I818 HydrophobicContact CB-CD1 4.18Å; N814-I818 HydrophobicContact CB-CG1 4.36Å; N814-I818 PolarHBondContact O-N 2.93Å
815	K	54.3	Low	55.2	Low	124 Å²	124	75.3 Å²	75.3	54%	0.539	38%	0.382	S	S	.	.	H	α-helix	trans	-46.1	-48.4	-175.3	-166.2	165.2	-172.4	159.6	0	115	I812 H813 H819	I812-K815 PolarHBondContact O-N 3.32Å; H813-K815 PolarHBondContact O-N 3.31Å; K815-H819 WeakPolarHBondContact O-CB 3.47Å; K815-H819 PolarHBondContact O-N 2.88Å
816	P	56.9	Low	54.9	Low	81 Å²	81	74.6 Å²	74.6	53%	0.526	38%	0.38	S	S	.	.	H	α-helix	trans	-69.3	-34.9	178.7	27.1	-34.5	0	0	0	113.1	H819 N820	P816-H819 PolarHBondContact O-N 2.85Å; P816-N820 WeakPolarHBondContact O-CB 3.38Å; P816-N820 PolarHBondContact O-N 3.49Å; P816-N820 PolarHBondContact O-OD1 2.79Å
817	V	58.2	Low	54.9	Low	72 Å²	72	74.7 Å²	74.7	44%	0.436	39%	0.388	S	S	.	.	H	α-helix	trans	-66.8	-48.1	-179.9	-176.2	0	0	0	0	110.3	Y742 N814 H819 N820 L821	Y742-V817 HydrophobicContact CD1-CG1 4.16Å; Y742-V817 HydrophobicContact CE1-CG1 3.66Å; N814-V817 PolarHBondContact O-N 3.12Å; V817-H819 VanDerWaalsContact C-N 3.35Å; V817-N820 PolarHBondContact O-N 2.63Å; V817-L821 VanDerWaalsContact O-CB 3.29Å; V817-L821 WeakPolarHBondContact O-CB 3.48Å; V817-L821 PolarHBondContact O-N 2.85Å
818	I	58.4	Low	54.8	Low	7 Å²	7	72.8 Å²	72.8	4%	0.036	38%	0.382	C	S	.	.	H	α-helix	trans	-66.2	-37.9	177.7	-62.1	172.2	0	0	0	110.7	L806 I812 N814 A822	L806-I818 HydrophobicContact CD2-CG2 4.07Å; I812-I818 HydrophobicContact CB-CD1 4.36Å; I812-I818 HydrophobicContact CD1-CD1 4.12Å; I812-I818 HydrophobicContact CG2-CD1 3.82Å; N814-I818 HydrophobicContact CB-CD1 4.18Å; N814-I818 HydrophobicContact CB-CG1 4.36Å; N814-I818 PolarHBondContact O-N 2.93Å; I818-A822 WeakPolarHBondContact O-CB 3.42Å; I818-A822 PolarHBondContact O-N 2.98Å
819	H	56	Low	54.5	Low	60 Å²	60	74.7 Å²	74.7	28%	0.278	39%	0.392	S	S	.	.	H	α-helix	trans	-67.4	-44.6	177.3	-171.7	-110.7	0	0	0	112.5	K815 P816 V817 L821 A822 N823 K835	K815-H819 WeakPolarHBondContact O-CB 3.47Å; K815-H819 PolarHBondContact O-N 2.88Å; P816-H819 PolarHBondContact O-N 2.85Å; V817-H819 VanDerWaalsContact C-N 3.35Å; H819-L821 VanDerWaalsContact C-N 3.35Å; H819-L821 PolarHBondContact O-N 3.11Å; H819-A822 PolarHBondContact O-N 2.92Å; H819-N823 PolarHBondContact CE1-ND2 2.99Å; H819-N823 VanDerWaalsContact CE1-ND2 3.32Å; H819-N823 PolarHBondContact ND1-ND2 3.25Å; H819-N823 WeakPolarHBondContact O-CB 3.41Å; H819-N823 PolarHBondContact O-N 3.39Å; H819-N823 PolarHBondContact O-ND2 3.4Å; H819-N823 PolarHBondContact O-OD1 3.32Å; H819-K835 PolarHBondContact NE2-NZ 2.84Å
820	N	60.9	Low	54.7	Low	104 Å²	104	75.9 Å²	75.9	56%	0.556	39%	0.394	S	S	*	.	H	α-helix	trans	-63.6	-41.6	176.8	-70.8	-7.4	0	0	0	111.5	P816 V817 N823 K824	P816-N820 WeakPolarHBondContact O-CB 3.38Å; P816-N820 PolarHBondContact O-N 3.49Å; P816-N820 PolarHBondContact O-OD1 2.79Å; V817-N820 PolarHBondContact O-N 2.63Å; N820-N823 PolarHBondContact O-N 2.92Å; N820-K824 PolarHBondContact O-N 3.24Å
821	L	62	Low	54.8	Low	2 Å²	2	69.4 Å²	69.4	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-63.9	-44	174.9	-179.8	56	0	0	0	112.2	F738 Y742 L795 I802 V817 H819 K824 I825	F738-L821 HydrophobicContact CE1-CD2 4.13Å; F738-L821 HydrophobicContact CZ-CD2 3.67Å; Y742-L821 HydrophobicContact CD1-CD2 4.08Å; Y742-L821 HydrophobicContact CD2-CD1 4.15Å; Y742-L821 HydrophobicContact CD2-CD2 3.71Å; Y742-L821 HydrophobicContact CE1-CB 4.49Å; Y742-L821 HydrophobicContact CE1-CD2 3.94Å; Y742-L821 HydrophobicContact CE2-CD1 3.33Å; Y742-L821 HydrophobicContact CE2-CD2 3.57Å; Y742-L821 HydrophobicContact CE2-CG 3.97Å; Y742-L821 HydrophobicContact CG-CD2 3.98Å; L795-L821 HydrophobicContact CD2-CD1 4.41Å; I802-L821 HydrophobicContact CD1-CD1 4.28Å; I802-L821 HydrophobicContact CD1-CD2 3.75Å; I802-L821 HydrophobicContact CD1-CG 3.67Å; I802-L821 HydrophobicContact CG1-CD2 4.06Å; I802-L821 HydrophobicContact CG1-CG 4.34Å; V817-L821 VanDerWaalsContact O-CB 3.29Å; V817-L821 WeakPolarHBondContact O-CB 3.48Å; V817-L821 PolarHBondContact O-N 2.85Å; H819-L821 VanDerWaalsContact C-N 3.35Å; H819-L821 PolarHBondContact O-N 3.11Å; L821-K824 PolarHBondContact O-N 3.09Å; L821-I825 HydrophobicContact CD1-CD1 3.33Å; L821-I825 HydrophobicContact CD1-CG1 4.04Å; L821-I825 HydrophobicContact CG-CD1 4.01Å; L821-I825 WeakPolarHBondContact O-CB 3.17Å; L821-I825 WeakPolarHBondContact O-CG1 3.32Å; L821-I825 PolarHBondContact O-N 3.44Å; L821-I825 VanDerWaalsContact O-N 3.08Å
822	A	58.8	Low	54.9	Low	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-43.3	175.5	0	0	0	0	0	112.1	I802 L806 I818 H819 K824 I825 L826 V831	I802-A822 HydrophobicContact CG2-CB 4.03Å; L806-A822 HydrophobicContact CD1-CB 3.79Å; L806-A822 HydrophobicContact CD2-CB 3.9Å; L806-A822 HydrophobicContact CG-CB 4.3Å; I818-A822 WeakPolarHBondContact O-CB 3.42Å; I818-A822 PolarHBondContact O-N 2.98Å; H819-A822 PolarHBondContact O-N 2.92Å; A822-K824 VanDerWaalsContact C-N 3.3Å; A822-K824 PolarHBondContact O-N 3.04Å; A822-I825 PolarHBondContact O-N 2.94Å; A822-L826 PolarHBondContact O-N 3.42Å; A822-V831 HydrophobicContact CB-CG2 3.77Å
823	N	60.9	Low	55.1	Low	43 Å²	43	71.1 Å²	71.1	23%	0.23	36%	0.362	C	S	.	.	H	α-helix	trans	-61.7	-37.7	175.6	-65.8	-22.6	0	0	0	111.8	H819 N820 G827	H819-N823 PolarHBondContact CE1-ND2 2.99Å; H819-N823 VanDerWaalsContact CE1-ND2 3.32Å; H819-N823 PolarHBondContact ND1-ND2 3.25Å; H819-N823 WeakPolarHBondContact O-CB 3.41Å; H819-N823 PolarHBondContact O-N 3.39Å; H819-N823 PolarHBondContact O-ND2 3.4Å; H819-N823 PolarHBondContact O-OD1 3.32Å; N820-N823 PolarHBondContact O-N 2.92Å; N823-G827 WeakPolarHBondContact O-CA 3.48Å; N823-G827 PolarHBondContact O-N 2.7Å
824	K	60.9	Low	55.2	Low	114 Å²	114	66.1 Å²	66.1	50%	0.496	34%	0.338	S	S	.	.	H	α-helix	trans	-72.8	-22.7	177.9	-167.3	176.2	179.9	-173.8	0	113.7	G752 N820 L821 A822	G752-K824 PolarHBondContact O-NZ 3.1Å; N820-K824 PolarHBondContact O-N 3.24Å; L821-K824 PolarHBondContact O-N 3.09Å; A822-K824 VanDerWaalsContact C-N 3.3Å; A822-K824 PolarHBondContact O-N 3.04Å
825	I	57.6	Low	54.9	Low	26 Å²	26	67.8 Å²	67.8	13%	0.133	34%	0.342	C	S	.	.	H	α-helix	trans	-111.7	-36.4	-171.7	-66.9	-178.7	0	0	0	114.3	L795 Q799 I802 L821 A822	L795-I825 HydrophobicContact CB-CD1 3.84Å; L795-I825 HydrophobicContact CB-CG1 3.98Å; L795-I825 HydrophobicContact CD2-CD1 3.68Å; L795-I825 HydrophobicContact CD2-CG1 3.96Å; L795-I825 HydrophobicContact CG-CD1 4.3Å; L795-I825 HydrophobicContact CG-CG1 4.36Å; Q799-I825 HydrophobicContact CB-CG2 3.6Å; Q799-I825 HydrophobicContact CG-CG2 3.65Å; I802-I825 HydrophobicContact CD1-CD1 3.47Å; I802-I825 VanDerWaalsContact CD1-CD1 3.47Å; I802-I825 HydrophobicContact CD1-CG2 4.47Å; L821-I825 HydrophobicContact CD1-CD1 3.33Å; L821-I825 HydrophobicContact CD1-CG1 4.04Å; L821-I825 HydrophobicContact CG-CD1 4.01Å; L821-I825 WeakPolarHBondContact O-CB 3.17Å; L821-I825 WeakPolarHBondContact O-CG1 3.32Å; L821-I825 PolarHBondContact O-N 3.44Å; L821-I825 VanDerWaalsContact O-N 3.08Å; A822-I825 PolarHBondContact O-N 2.94Å
826	L	55.3	Low	54.3	Low	18 Å²	18	65.5 Å²	65.5	9%	0.094	34%	0.342	C	S	.	.	H	α-helix	trans	-102.6	-15.4	178.9	-71.9	87	0	0	0	112.3	I802 R803 A822 E830 V831 F834	I802-L826 HydrophobicContact CG2-CD1 3.99Å; R803-L826 HydrophobicContact CG-CD2 3.83Å; A822-L826 PolarHBondContact O-N 3.42Å; L826-E830 HydrophobicContact CB-CB 4Å; L826-E830 HydrophobicContact CD2-CB 4.49Å; L826-E830 WeakPolarHBondContact O-CB 3.49Å; L826-V831 HydrophobicContact CB-CG2 4.14Å; L826-F834 HydrophobicContact CD2-CD2 4.25Å; L826-F834 HydrophobicContact CD2-CE2 3.87Å
827	G	56.2	Low	53.8	Low	31 Å²	31	65.4 Å²	65.4	32%	0.32	34%	0.343	S	S	.	.	H	α-helix	trans	77.6	153.1	-170.7	0	0	0	0	0	112.5	N823 E829 E830 V831	N823-G827 WeakPolarHBondContact O-CA 3.48Å; N823-G827 PolarHBondContact O-N 2.7Å; G827-E829 PolarHBondContact O-N 3.32Å; G827-E830 PolarHBondContact O-N 3.03Å; G827-V831 WeakPolarHBondContact O-CG2 3.23Å; G827-V831 PolarHBondContact O-N 3.38Å
828	V	54.3	Low	53.2	Low	87 Å²	87	62.6 Å²	62.6	53%	0.527	33%	0.325	S	S	.	.	H	α-helix	trans	-59.2	-34.9	-174	-179	0	0	0	0	111.9	N832	V828-N832 WeakPolarHBondContact O-CB 3.41Å; V828-N832 VanDerWaalsContact O-CG 3.26Å; V828-N832 PolarHBondContact O-N 3.12Å; V828-N832 PolarHBondContact O-ND2 3.33Å
829	E	48	Very low	52.6	Low	166 Å²	166	66 Å²	66	78%	0.776	34%	0.343	S	S	*	.	H	α-helix	trans	-67.2	-44.7	179.6	-64.6	-171.3	174.7	0	0	113.7	G827 N832 K833	G827-E829 PolarHBondContact O-N 3.32Å; E829-N832 PolarHBondContact O-N 3.4Å; E829-K833 WeakPolarHBondContact O-CB 3.33Å; E829-K833 PolarHBondContact O-N 3.28Å
830	E	52.5	Low	52.1	Low	63 Å²	63	66.7 Å²	66.7	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-67.9	-42.3	176.1	-75.6	-151.6	171.4	0	0	110.9	R803 L826 G827 N832 K833 F834	R803-E830 IonicContact CZ-OE2 3.03Å; R803-E830 IonicContact NH2-OE1 3.2Å; R803-E830 IonicContact NH2-OE2 3.39Å; R803-E830 PolarHBondContact NH2-OE2 3.32Å; L826-E830 HydrophobicContact CB-CB 4Å; L826-E830 HydrophobicContact CD2-CB 4.49Å; L826-E830 WeakPolarHBondContact O-CB 3.49Å; G827-E830 PolarHBondContact O-N 3.03Å; E830-N832 VanDerWaalsContact C-N 3.26Å; E830-N832 PolarHBondContact O-N 3.41Å; E830-K833 WeakPolarHBondContact O-CA 3.33Å; E830-K833 WeakPolarHBondContact O-CB 3.29Å; E830-K833 PolarHBondContact O-N 3.44Å; E830-K833 VanDerWaalsContact O-N 3.07Å; E830-F834 HydrophobicContact CB-CE2 4.42Å; E830-F834 WeakPolarHBondContact O-CD2 3.39Å; E830-F834 PolarHBondContact O-N 2.87Å
831	V	49.4	Very low	51.4	Low	3 Å²	3	62.8 Å²	62.8	2%	0.018	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-39	176.8	177	0	0	0	0	111.3	A822 L826 G827 F834 K835	A822-V831 HydrophobicContact CB-CG2 3.77Å; L826-V831 HydrophobicContact CB-CG2 4.14Å; G827-V831 WeakPolarHBondContact O-CG2 3.23Å; G827-V831 PolarHBondContact O-N 3.38Å; V831-F834 PolarHBondContact O-N 3.07Å; V831-K835 PolarHBondContact O-N 3.04Å
832	N	48.3	Very low	50.7	Low	71 Å²	71	64.5 Å²	64.5	38%	0.38	34%	0.341	S	S	.	.	H	α-helix	trans	-70.5	-39.4	173.2	-73.1	-17.5	0	0	0	111.9	V828 E829 E830 F834 K835 S836	V828-N832 WeakPolarHBondContact O-CB 3.41Å; V828-N832 VanDerWaalsContact O-CG 3.26Å; V828-N832 PolarHBondContact O-N 3.12Å; V828-N832 PolarHBondContact O-ND2 3.33Å; E829-N832 PolarHBondContact O-N 3.4Å; E830-N832 VanDerWaalsContact C-N 3.26Å; E830-N832 PolarHBondContact O-N 3.41Å; N832-F834 VanDerWaalsContact C-N 3.29Å; N832-F834 PolarHBondContact O-N 3.12Å; N832-K835 CarbonylContact O-C 3.51Å; N832-K835 WeakPolarHBondContact O-CA 3.24Å; N832-K835 WeakPolarHBondContact O-CB 3.46Å; N832-K835 PolarHBondContact O-N 3.4Å; N832-S836 PolarHBondContact O-N 3.39Å; N832-S836 PolarHBondContact O-OG 2.94Å
833	K	50.8	Low	50	Low	163 Å²	163	68.3 Å²	68.3	71%	0.709	36%	0.361	S	S	*	.	H	α-helix	trans	-56.6	-40.3	171.8	-112.2	166.6	-178.4	158.5	0	112.9	E829 E830 K835 S836	E829-K833 WeakPolarHBondContact O-CB 3.33Å; E829-K833 PolarHBondContact O-N 3.28Å; E830-K833 WeakPolarHBondContact O-CA 3.33Å; E830-K833 WeakPolarHBondContact O-CB 3.29Å; E830-K833 PolarHBondContact O-N 3.44Å; E830-K833 VanDerWaalsContact O-N 3.07Å; K833-K835 VanDerWaalsContact C-N 3.3Å; K833-K835 PolarHBondContact O-N 2.85Å; K833-S836 PolarHBondContact O-N 2.81Å
834	F	48	Very low	49.2	Very low	85 Å²	85	73.2 Å²	73.2	37%	0.373	38%	0.383	S	S	.	.	H	α-helix	trans	-70.6	-20.6	173.9	-73.6	-68	0	0	0	113.5	L826 E830 V831 N832	L826-F834 HydrophobicContact CD2-CD2 4.25Å; L826-F834 HydrophobicContact CD2-CE2 3.87Å; E830-F834 HydrophobicContact CB-CE2 4.42Å; E830-F834 WeakPolarHBondContact O-CD2 3.39Å; E830-F834 PolarHBondContact O-N 2.87Å; V831-F834 PolarHBondContact O-N 3.07Å; N832-F834 VanDerWaalsContact C-N 3.29Å; N832-F834 PolarHBondContact O-N 3.12Å
835	K	46.4	Very low	48.6	Very low	104 Å²	104	68.1 Å²	68.1	45%	0.452	36%	0.361	S	S	.	.	H	α-helix	trans	-85.3	-28.3	169.8	-73.2	174.9	-178.9	168	0	113.9	H819 V831 N832 K833 S837	H819-K835 PolarHBondContact NE2-NZ 2.84Å; V831-K835 PolarHBondContact O-N 3.04Å; N832-K835 CarbonylContact O-C 3.51Å; N832-K835 WeakPolarHBondContact O-CA 3.24Å; N832-K835 WeakPolarHBondContact O-CB 3.46Å; N832-K835 PolarHBondContact O-N 3.4Å; K833-K835 VanDerWaalsContact C-N 3.3Å; K833-K835 PolarHBondContact O-N 2.85Å; K835-S837 PolarHBondContact O-N 3.33Å
836	S	41.7	Very low	47.9	Very low	76 Å²	76	75.3 Å²	75.3	53%	0.531	39%	0.387	S	S	.	.			trans	-75.7	3.5	-171.7	-67.8	0	0	0	0	115.3	N832 K833 L838	N832-S836 PolarHBondContact O-N 3.39Å; N832-S836 PolarHBondContact O-OG 2.94Å; K833-S836 PolarHBondContact O-N 2.81Å; S836-L838 VanDerWaalsContact C-N 3.34Å; S836-L838 PolarHBondContact O-N 2.93Å
837	S	44.5	Very low	47.4	Very low	78 Å²	78	76.2 Å²	76.2	55%	0.545	39%	0.393	S	S	.	.	S	Bend	trans	-78	76.6	-179	-166.1	0	0	0	0	112.3	K835 L839	K835-S837 PolarHBondContact O-N 3.33Å; S837-L839 PolarHBondContact O-N 3.46Å
838	L	46.2	Very low	46.8	Very low	14 Å²	14	85.1 Å²	85.1	7%	0.073	42%	0.423	C	S	.	.	S	Bend	trans	60.1	-23.9	173.1	-62.4	169.4	0	0	0	117.8	S836 P840 I841 L842 T902 L903 L916 D919	S836-L838 VanDerWaalsContact C-N 3.34Å; S836-L838 PolarHBondContact O-N 2.93Å; L838-P840 VanDerWaalsContact C-CD 3.47Å; L838-I841 PolarHBondContact O-N 3.21Å; L838-L842 HydrophobicContact CB-CD1 4.15Å; L838-L842 PolarHBondContact O-N 3.5Å; L838-T902 WeakPolarHBondContact CD2-OG1 3.22Å; L838-L903 HydrophobicContact CD1-CD2 3.81Å; L838-L903 HydrophobicContact CD2-CD2 4.18Å; L838-L903 HydrophobicContact CD2-CG 4.19Å; L838-L916 HydrophobicContact CD1-CD2 4.39Å; L838-D919 WeakPolarHBondContact CD1-OD2 3.26Å
839	L	46.9	Very low	46.4	Very low	79 Å²	79	83.8 Å²	83.8	41%	0.414	42%	0.415	S	S	.	.	H	α-helix	trans	-54.6	-37.7	-179	-86.4	161.4	0	0	0	114.8	S837 N843 I923	S837-L839 PolarHBondContact O-N 3.46Å; L839-N843 VanDerWaalsContact O-CB 3.23Å; L839-N843 WeakPolarHBondContact O-CB 3.45Å; L839-N843 PolarHBondContact O-N 2.89Å; L839-N843 PolarHBondContact O-ND2 2.91Å; L839-I923 HydrophobicContact CD2-CD1 4.3Å
840	P	44.4	Very low	46.3	Very low	74 Å²	74	79.3 Å²	79.3	48%	0.481	40%	0.4	S	S	.	.	H	α-helix	trans	-61.8	-49.3	175.5	-24.6	35.5	0	0	0	112.1	L838 N843 E844	L838-P840 VanDerWaalsContact C-CD 3.47Å; P840-N843 PolarHBondContact O-N 3.37Å; P840-E844 WeakPolarHBondContact O-CB 3.37Å; P840-E844 PolarHBondContact O-N 3.07Å
841	I	46.9	Very low	46.2	Very low	22 Å²	22	80 Å²	80	11%	0.113	41%	0.405	C	S	.	.	H	α-helix	trans	-63.6	-46.5	-179.8	-56.1	171.9	0	0	0	109.9	L838 N843 E844 V845 Q898 L899 T902	L838-I841 PolarHBondContact O-N 3.21Å; I841-N843 VanDerWaalsContact C-N 3.3Å; I841-N843 PolarHBondContact O-N 3.2Å; I841-E844 PolarHBondContact O-N 2.72Å; I841-V845 HydrophobicContact CG2-CG2 4.29Å; I841-V845 WeakPolarHBondContact O-CB 3.36Å; I841-V845 VanDerWaalsContact O-CG2 3.26Å; I841-V845 WeakPolarHBondContact O-CG2 3.47Å; I841-V845 PolarHBondContact O-N 3.23Å; I841-Q898 HydrophobicContact CD1-CB 3.98Å; I841-L899 HydrophobicContact CG2-CD2 3.98Å; I841-L899 HydrophobicContact CG2-CG 4.13Å; I841-T902 HydrophobicContact CD1-CG2 4.48Å
842	L	47.6	Very low	46.1	Very low	37 Å²	37	84.8 Å²	84.8	19%	0.194	44%	0.439	C	S	.	.	H	α-helix	trans	-68.2	-23.2	178.1	-75	166.8	0	0	0	114.1	L838 T920	L838-L842 HydrophobicContact CB-CD1 4.15Å; L838-L842 PolarHBondContact O-N 3.5Å; L842-T920 HydrophobicContact CD1-CG2 3.96Å; L842-T920 HydrophobicContact CD2-CG2 4.14Å
843	N	43.5	Very low	46	Very low	81 Å²	81	87.3 Å²	87.3	43%	0.433	45%	0.448	S	S	.	.	H	α-helix	trans	-87.6	-22.2	173.9	-83.3	-73.4	0	0	0	113.6	L839 P840 I841 R846	L839-N843 VanDerWaalsContact O-CB 3.23Å; L839-N843 WeakPolarHBondContact O-CB 3.45Å; L839-N843 PolarHBondContact O-N 2.89Å; L839-N843 PolarHBondContact O-ND2 2.91Å; P840-N843 PolarHBondContact O-N 3.37Å; I841-N843 VanDerWaalsContact C-N 3.3Å; I841-N843 PolarHBondContact O-N 3.2Å; N843-R846 WeakPolarHBondContact O-CD 3.5Å; N843-R846 VanDerWaalsContact O-CG 3.24Å; N843-R846 WeakPolarHBondContact O-CG 3.49Å
844	E	44	Very low	46.3	Very low	146 Å²	146	80.5 Å²	80.5	68%	0.682	42%	0.42	S	S	*	.	H	α-helix	trans	-84.5	-37.5	173.6	-165.2	168.5	-109.9	0	0	111.1	P840 I841 R846	P840-E844 WeakPolarHBondContact O-CB 3.37Å; P840-E844 PolarHBondContact O-N 3.07Å; I841-E844 PolarHBondContact O-N 2.72Å; E844-R846 PolarHBondContact O-N 3.25Å
845	V	47.7	Very low	46.8	Very low	6 Å²	6	81.2 Å²	81.2	4%	0.036	43%	0.428	C	S	.	.	S	Bend	trans	-75.4	46.6	165	-167.3	0	0	0	0	110.3	I841 P847 Y883 V889 L891	I841-V845 HydrophobicContact CG2-CG2 4.29Å; I841-V845 WeakPolarHBondContact O-CB 3.36Å; I841-V845 VanDerWaalsContact O-CG2 3.26Å; I841-V845 WeakPolarHBondContact O-CG2 3.47Å; I841-V845 PolarHBondContact O-N 3.23Å; V845-P847 VanDerWaalsContact O-CD 3.29Å; V845-P847 WeakPolarHBondContact O-CD 3.4Å; V845-Y883 HydrophobicContact CG1-CE1 3.59Å; V845-Y883 VanDerWaalsContact CG1-OH 3.23Å; V845-Y883 WeakPolarHBondContact CG1-OH 3.4Å; V845-V889 HydrophobicContact CG1-CB 4.16Å; V845-V889 HydrophobicContact CG1-CG1 3.82Å; V845-L891 HydrophobicContact CG1-CD2 3.9Å; V845-L891 HydrophobicContact CG2-CD2 3.72Å
846	R	43.2	Very low	47.6	Very low	178 Å²	178	79.2 Å²	79.2	67%	0.672	42%	0.417	S	S	*	.			trans	-63.9	118.7	166.2	-97.4	168.7	-173.8	-171.1	4.7	108.5	N843 E844 K848	N843-R846 WeakPolarHBondContact O-CD 3.5Å; N843-R846 VanDerWaalsContact O-CG 3.24Å; N843-R846 WeakPolarHBondContact O-CG 3.49Å; E844-R846 PolarHBondContact O-N 3.25Å; R846-K848 PolarHBondContact O-N 3.13Å
847	P	45.7	Very low	48.7	Very low	36 Å²	36	81.4 Å²	81.4	23%	0.234	42%	0.423	C	S	.	.			trans	-60	131.1	160.3	27.8	-33.4	0	0	0	107.9	V845 V849 L854 V889	V845-P847 VanDerWaalsContact O-CD 3.29Å; V845-P847 WeakPolarHBondContact O-CD 3.4Å; P847-V849 HydrophobicContact CB-CB 4.16Å; P847-V849 HydrophobicContact CB-CG2 4.4Å; P847-V849 PolarHBondContact O-N 3.18Å; P847-L854 HydrophobicContact CB-CD1 3.83Å; P847-L854 HydrophobicContact CB-CD2 4.34Å; P847-L854 HydrophobicContact CG-CD1 3.67Å; P847-L854 HydrophobicContact CG-CD2 3.99Å; P847-L854 HydrophobicContact CG-CG 4.47Å; P847-V889 HydrophobicContact CB-CG2 4.32Å
848	K	42.3	Very low	49.8	Very low	219 Å²	219	82.5 Å²	82.5	95%	0.952	42%	0.418	S	S	*	.	S	Bend	trans	-72	26.7	169.5	-65.9	-178.8	178.4	176	0	111.9	R846	R846-K848 PolarHBondContact O-N 3.13Å
849	V	45.4	Very low	50.9	Low	58 Å²	58	82.4 Å²	82.4	35%	0.352	42%	0.417	S	S	.	.	S	Bend	trans	-138.5	132.7	-161.1	-166.9	0	0	0	0	106.6	P847 Q853	P847-V849 HydrophobicContact CB-CB 4.16Å; P847-V849 HydrophobicContact CB-CG2 4.4Å; P847-V849 PolarHBondContact O-N 3.18Å; V849-Q853 HydrophobicContact CG1-CB 3.88Å
850	P	47.4	Very low	52	Low	72 Å²	72	80.7 Å²	80.7	47%	0.468	41%	0.408	S	S	.	.			trans	-54.9	141.4	-179.8	-27.3	35.7	0	0	0	112.4	S852 Q853	P850-S852 PolarHBondContact O-N 2.93Å; P850-Q853 PolarHBondContact O-N 2.74Å
851	I	49.3	Very low	53.2	Low	77 Å²	77	85.7 Å²	85.7	40%	0.395	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-55.7	-30.3	-179.5	-60.4	173.8	0	0	0	111.5	Q853 L854 Y927	I851-Q853 PolarHBondContact O-N 2.79Å; I851-L854 PolarHBondContact O-N 3.38Å; I851-L854 VanDerWaalsContact O-N 3.16Å; I851-Y927 HydrophobicContact CD1-CD1 4.04Å; I851-Y927 HydrophobicContact CD1-CD2 4.08Å; I851-Y927 HydrophobicContact CD1-CE1 4.32Å; I851-Y927 HydrophobicContact CD1-CE2 4.37Å; I851-Y927 HydrophobicContact CD1-CG 3.92Å
852	S	47.3	Very low	54.6	Low	104 Å²	104	86.3 Å²	86.3	73%	0.727	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-64.6	-8.9	173.7	50.3	0	0	0	0	115.9	P850	P850-S852 PolarHBondContact O-N 2.93Å
853	Q	47.7	Very low	55.8	Low	124 Å²	124	84.7 Å²	84.7	58%	0.579	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-104.1	-14.2	173.2	-65.4	-175.7	-10.4	0	0	113.1	V849 P850 I851 N855	V849-Q853 HydrophobicContact CG1-CB 3.88Å; P850-Q853 PolarHBondContact O-N 2.74Å; I851-Q853 PolarHBondContact O-N 2.79Å; Q853-N855 PolarHBondContact O-N 2.75Å; Q853-N855 VanDerWaalsContact O-N 3.14Å; Q853-N855 PolarHBondContact O-ND2 2.95Å
854	L	55.3	Low	57.3	Low	21 Å²	21	85.3 Å²	85.3	11%	0.11	42%	0.415	C	S	.	.			trans	-72	111.5	177.1	-84.1	85.9	0	0	0	110	P847 I851 W856 T887	P847-L854 HydrophobicContact CB-CD1 3.83Å; P847-L854 HydrophobicContact CB-CD2 4.34Å; P847-L854 HydrophobicContact CG-CD1 3.67Å; P847-L854 HydrophobicContact CG-CD2 3.99Å; P847-L854 HydrophobicContact CG-CG 4.47Å; I851-L854 PolarHBondContact O-N 3.38Å; I851-L854 VanDerWaalsContact O-N 3.16Å; L854-W856 HydrophobicContact CB-CG 4.47Å; L854-W856 HydrophobicContact CD2-CZ2 3.84Å; L854-W856 PolarHBondContact O-N 3.23Å; L854-T887 HydrophobicContact CD2-CG2 3.95Å
855	N	59.4	Low	59	Low	100 Å²	100	87 Å²	87	54%	0.535	42%	0.42	S	S	.	.			trans	-77.9	59	178	-90.9	-89.6	0	0	0	111.1	Q853 N857 K858 M859	Q853-N855 PolarHBondContact O-N 2.75Å; Q853-N855 VanDerWaalsContact O-N 3.14Å; Q853-N855 PolarHBondContact O-ND2 2.95Å; N855-N857 PolarHBondContact O-N 2.74Å; N855-K858 HydrophobicContact CB-CB 3.79Å; N855-K858 HydrophobicContact CB-CD 4.48Å; N855-K858 WeakPolarHBondContact O-CA 3.38Å; N855-K858 WeakPolarHBondContact O-CB 3.43Å; N855-K858 PolarHBondContact O-N 3.44Å; N855-M859 PolarHBondContact O-N 3.29Å
856	W	62.9	Low	60.4	Low	61 Å²	61	88.4 Å²	88.4	23%	0.231	43%	0.432	C	S	.	.	H	α-helix	trans	-50.5	-41.4	178.1	-73.9	99.1	0	0	0	112.3	L854 K858 M859 L860 T920 I924	L854-W856 HydrophobicContact CB-CG 4.47Å; L854-W856 HydrophobicContact CD2-CZ2 3.84Å; L854-W856 PolarHBondContact O-N 3.23Å; W856-K858 VanDerWaalsContact C-N 3.3Å; W856-K858 PolarHBondContact O-N 3.25Å; W856-M859 HydrophobicContact CE3-CE 3.6Å; W856-M859 HydrophobicContact CH2-CE 4.48Å; W856-M859 HydrophobicContact CZ3-CE 3.5Å; W856-M859 VanDerWaalsContact CZ3-CE 3.5Å; W856-M859 PolarHBondContact O-N 3.41Å; W856-L860 VanDerWaalsContact O-CB 3.3Å; W856-L860 WeakPolarHBondContact O-CB 3.41Å; W856-L860 PolarHBondContact O-N 3.16Å; W856-T920 HydrophobicContact CH2-CG2 4.42Å; W856-I924 HydrophobicContact CD2-CD1 3.82Å; W856-I924 HydrophobicContact CE3-CD1 4.26Å; W856-I924 HydrophobicContact CG-CD1 3.96Å
857	N	64.1	Low	62.1	Low	122 Å²	122	80.1 Å²	80.1	65%	0.652	40%	0.402	S	S	*	.	H	α-helix	trans	-65.7	-26.9	175.8	-70.5	-37.6	0	0	0	113.9	N855 R861	N855-N857 PolarHBondContact O-N 2.74Å; N857-R861 WeakPolarHBondContact O-CD 3.46Å; N857-R861 VanDerWaalsContact O-CG 3.22Å; N857-R861 WeakPolarHBondContact O-CG 3.45Å; N857-R861 PolarHBondContact O-N 2.97Å
858	K	67.9	Low	63.3	Low	102 Å²	102	87.8 Å²	87.8	44%	0.443	43%	0.431	S	S	.	.	H	α-helix	trans	-79.9	-43	172.7	-162.5	-170.4	-173.9	-169.4	0	110.5	N855 W856 R861 S862 Y885	N855-K858 HydrophobicContact CB-CB 3.79Å; N855-K858 HydrophobicContact CB-CD 4.48Å; N855-K858 WeakPolarHBondContact O-CA 3.38Å; N855-K858 WeakPolarHBondContact O-CB 3.43Å; N855-K858 PolarHBondContact O-N 3.44Å; W856-K858 VanDerWaalsContact C-N 3.3Å; W856-K858 PolarHBondContact O-N 3.25Å; K858-R861 PolarHBondContact O-N 3.48Å; K858-S862 PolarHBondContact O-N 3.09Å; K858-S862 PolarHBondContact O-OG 2.85Å; K858-Y885 HydrophobicContact CD-CE1 4.27Å; K858-Y885 PolarHBondContact NZ-OH 2.79Å
859	M	69.2	Low	64.6	Low	12 Å²	12	82.6 Å²	82.6	6%	0.059	42%	0.418	C	S	.	.	H	α-helix	trans	-60.3	-45.8	176.6	-167.6	-176.8	79.6	0	0	111.2	N855 W856 R861 S862 M863 Y883 T887	N855-M859 PolarHBondContact O-N 3.29Å; W856-M859 HydrophobicContact CE3-CE 3.6Å; W856-M859 HydrophobicContact CH2-CE 4.48Å; W856-M859 HydrophobicContact CZ3-CE 3.5Å; W856-M859 VanDerWaalsContact CZ3-CE 3.5Å; W856-M859 PolarHBondContact O-N 3.41Å; M859-R861 PolarHBondContact O-N 3.33Å; M859-S862 PolarHBondContact O-N 3.43Å; M859-S862 VanDerWaalsContact O-N 3.15Å; M859-M863 HydrophobicContact CE-CE 3.86Å; M859-M863 HydrophobicContact CE-SD 4.11Å; M859-M863 HydrophobicContact CG-CE 3.97Å; M859-M863 HydrophobicContact CG-SD 4.31Å; M859-M863 WeakPolarHBondContact O-CG 3.49Å; M859-M863 PolarHBondContact O-N 2.92Å; M859-M863 HydrophobicContact SD-CE 3.98Å; M859-Y883 HydrophobicContact SD-CD2 4.39Å; M859-T887 HydrophobicContact SD-CG2 4.31Å
860	L	71.3	Confident	65.4	Low	42 Å²	42	85.6 Å²	85.6	22%	0.22	43%	0.432	C	S	.	.	H	α-helix	trans	-56.1	-46.7	174.5	177.7	60.9	0	0	0	111.9	W856 S862 M863 Q864 I917	W856-L860 VanDerWaalsContact O-CB 3.3Å; W856-L860 WeakPolarHBondContact O-CB 3.41Å; W856-L860 PolarHBondContact O-N 3.16Å; L860-S862 PolarHBondContact O-N 3.25Å; L860-M863 PolarHBondContact O-N 3.37Å; L860-Q864 HydrophobicContact CD1-CG 4.28Å; L860-Q864 WeakPolarHBondContact O-CB 3.49Å; L860-Q864 VanDerWaalsContact O-CG 3.27Å; L860-Q864 WeakPolarHBondContact O-CG 3.44Å; L860-Q864 PolarHBondContact O-N 2.92Å; L860-I917 HydrophobicContact CD1-CD1 3.45Å; L860-I917 VanDerWaalsContact CD1-CD1 3.45Å; L860-I917 HydrophobicContact CD1-CG1 4.45Å
861	R	69.4	Low	66.2	Low	180 Å²	180	85.6 Å²	85.6	68%	0.679	43%	0.433	S	S	*	.	H	α-helix	trans	-64	-38	176.5	-72.6	170.5	-174.3	-175.5	2.1	112.3	N857 K858 M859 K865	N857-R861 WeakPolarHBondContact O-CD 3.46Å; N857-R861 VanDerWaalsContact O-CG 3.22Å; N857-R861 WeakPolarHBondContact O-CG 3.45Å; N857-R861 PolarHBondContact O-N 2.97Å; K858-R861 PolarHBondContact O-N 3.48Å; M859-R861 PolarHBondContact O-N 3.33Å; R861-K865 VanDerWaalsContact O-CB 3.25Å; R861-K865 WeakPolarHBondContact O-CB 3.44Å; R861-K865 PolarHBondContact O-N 3.43Å
862	S	75.7	Confident	67.1	Low	34 Å²	34	82.1 Å²	82.1	24%	0.238	42%	0.416	C	S	.	.	H	α-helix	trans	-68.7	-38.9	175	-59.9	0	0	0	0	112.3	K858 M859 L860 K865 A866	K858-S862 PolarHBondContact O-N 3.09Å; K858-S862 PolarHBondContact O-OG 2.85Å; M859-S862 PolarHBondContact O-N 3.43Å; M859-S862 VanDerWaalsContact O-N 3.15Å; L860-S862 PolarHBondContact O-N 3.25Å; S862-K865 PolarHBondContact O-N 3.23Å; S862-A866 WeakPolarHBondContact O-CB 3.32Å; S862-A866 PolarHBondContact O-N 3.17Å
863	M	74.1	Confident	68.3	Low	3 Å²	3	81 Å²	81	2%	0.015	40%	0.396	C	S	.	.	H	α-helix	trans	-64.4	-45.5	173.8	-73.9	179.7	172.6	0	0	111.9	M859 L860 K865 A866 D867 L874 F879 L882 Y913	M859-M863 HydrophobicContact CE-CE 3.86Å; M859-M863 HydrophobicContact CE-SD 4.11Å; M859-M863 HydrophobicContact CG-CE 3.97Å; M859-M863 HydrophobicContact CG-SD 4.31Å; M859-M863 WeakPolarHBondContact O-CG 3.49Å; M859-M863 PolarHBondContact O-N 2.92Å; M859-M863 HydrophobicContact SD-CE 3.98Å; L860-M863 PolarHBondContact O-N 3.37Å; M863-K865 VanDerWaalsContact C-N 3.3Å; M863-K865 PolarHBondContact O-N 3.35Å; M863-A866 PolarHBondContact O-N 3.27Å; M863-D867 PolarHBondContact O-N 2.82Å; M863-L874 HydrophobicContact CB-CD1 3.74Å; M863-L874 HydrophobicContact CG-CD1 3.67Å; M863-L874 HydrophobicContact SD-CD1 4.42Å; M863-F879 HydrophobicContact CE-CD2 3.81Å; M863-F879 HydrophobicContact CE-CE2 3.69Å; M863-L882 HydrophobicContact CB-CD1 4.39Å; M863-L882 HydrophobicContact CE-CB 4.12Å; M863-L882 HydrophobicContact CG-CB 4.21Å; M863-L882 HydrophobicContact CG-CD1 3.79Å; M863-Y913 HydrophobicContact CB-CD2 3.91Å; M863-Y913 HydrophobicContact CB-CE2 3.93Å; M863-Y913 HydrophobicContact SD-CD2 4.07Å; M863-Y913 HydrophobicContact SD-CG 4.46Å
864	Q	74.7	Confident	69.5	Low	95 Å²	95	75.5 Å²	75.5	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-32.9	172.6	-71.8	168.2	-24.5	0	0	112.9	L860	L860-Q864 HydrophobicContact CD1-CG 4.28Å; L860-Q864 WeakPolarHBondContact O-CB 3.49Å; L860-Q864 VanDerWaalsContact O-CG 3.27Å; L860-Q864 WeakPolarHBondContact O-CG 3.44Å; L860-Q864 PolarHBondContact O-N 2.92Å
865	K	79.4	Confident	70.4	Confident	181 Å²	181	78.4 Å²	78.4	79%	0.787	39%	0.386	S	S	*	.	H	α-helix	trans	-74.7	-26.1	175.5	-171.5	177.8	179.2	-174.4	0	112.8	R861 S862 M863	R861-K865 VanDerWaalsContact O-CB 3.25Å; R861-K865 WeakPolarHBondContact O-CB 3.44Å; R861-K865 PolarHBondContact O-N 3.43Å; S862-K865 PolarHBondContact O-N 3.23Å; M863-K865 VanDerWaalsContact C-N 3.3Å; M863-K865 PolarHBondContact O-N 3.35Å
866	A	77.2	Confident	71	Confident	35 Å²	35	74.3 Å²	74.3	29%	0.289	37%	0.366	S	S	.	.	H	α-helix	trans	-81.5	-37.3	175.2	0	0	0	0	0	112.5	S862 M863 K868 L874 I878 L882	S862-A866 WeakPolarHBondContact O-CB 3.32Å; S862-A866 PolarHBondContact O-N 3.17Å; M863-A866 PolarHBondContact O-N 3.27Å; A866-K868 PolarHBondContact O-N 2.97Å; A866-L874 HydrophobicContact CB-CD2 3.66Å; A866-I878 HydrophobicContact CB-CG2 3.89Å; A866-L882 HydrophobicContact CB-CD1 3.78Å
867	D	79.2	Confident	71.6	Confident	5 Å²	5	75.3 Å²	75.3	3%	0.027	38%	0.381	C	S	.	.			trans	-74.4	72	171.9	-176.7	8.7	0	0	0	111.2	M863 T869 N870 C871 G872 L874 Y913	M863-D867 PolarHBondContact O-N 2.82Å; D867-T869 PolarHBondContact O-N 2.87Å; D867-T869 PolarHBondContact OD1-N 3.36Å; D867-T869 PolarHBondContact OD1-OG1 2.98Å; D867-N870 PolarHBondContact O-N 2.99Å; D867-N870 WeakPolarHBondContact OD1-CA 3.47Å; D867-N870 PolarHBondContact OD1-N 3.12Å; D867-N870 VanDerWaalsContact OD2-CA 3.29Å; D867-N870 WeakPolarHBondContact OD2-CA 3.37Å; D867-C871 PolarHBondContact OD1-N 3.28Å; D867-C871 PolarHBondContact OD1-SG 2.67Å; D867-C871 VanDerWaalsContact OD1-SG 3.32Å; D867-C871 PolarHBondContact OD2-N 3.07Å; D867-G872 PolarHBondContact OD2-N 3.46Å; D867-L874 HydrophobicContact CB-CD2 4.01Å; D867-Y913 HydrophobicContact CB-CE1 4.05Å; D867-Y913 PolarHBondContact OD2-OH 3.42Å
868	K	71.1	Confident	72.2	Confident	197 Å²	197	72.3 Å²	72.3	86%	0.857	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-17.1	173.7	-62.2	177.3	-174.9	172	0	113.3	A866	A866-K868 PolarHBondContact O-N 2.97Å
869	T	67.7	Low	72.5	Confident	110 Å²	110	67.7 Å²	67.7	68%	0.675	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-8.4	-177.9	40.1	0	0	0	0	114.4	D867 C871	D867-T869 PolarHBondContact O-N 2.87Å; D867-T869 PolarHBondContact OD1-N 3.36Å; D867-T869 PolarHBondContact OD1-OG1 2.98Å; T869-C871 PolarHBondContact O-N 3.17Å; T869-C871 PolarHBondContact OG1-SG 3.06Å; T869-C871 VanDerWaalsContact OG1-SG 3.32Å
870	N	63.9	Low	72.7	Confident	121 Å²	121	70.4 Å²	70.4	65%	0.647	35%	0.353	S	S	*	.			trans	51.7	15.2	-167.8	-75.1	-62.1	0	0	0	115.3	D867 G872 K914	D867-N870 PolarHBondContact O-N 2.99Å; D867-N870 WeakPolarHBondContact OD1-CA 3.47Å; D867-N870 PolarHBondContact OD1-N 3.12Å; D867-N870 VanDerWaalsContact OD2-CA 3.29Å; D867-N870 WeakPolarHBondContact OD2-CA 3.37Å; N870-G872 PolarHBondContact O-N 3.39Å; N870-G872 VanDerWaalsContact O-N 3.14Å; N870-K914 PolarHBondContact O-NZ 3.33Å
871	C	63.7	Low	72.9	Confident	72 Å²	72	74.8 Å²	74.8	49%	0.486	37%	0.373	S	S	.	.	S	Bend	trans	-67.8	-15.6	-171.6	71.1	0	0	0	0	113.7	D867 T869 R873	D867-C871 PolarHBondContact OD1-N 3.28Å; D867-C871 PolarHBondContact OD1-SG 2.67Å; D867-C871 VanDerWaalsContact OD1-SG 3.32Å; D867-C871 PolarHBondContact OD2-N 3.07Å; T869-C871 PolarHBondContact O-N 3.17Å; T869-C871 PolarHBondContact OG1-SG 3.06Å; T869-C871 VanDerWaalsContact OG1-SG 3.32Å; C871-R873 VanDerWaalsContact C-N 3.35Å; C871-R873 PolarHBondContact SG-N 3.42Å; C871-R873 VanDerWaalsContact SG-N 3.39Å; C871-R873 PolarHBondContact SG-O 2.95Å
872	G	68	Low	73.2	Confident	4 Å²	4	67.6 Å²	67.6	4%	0.041	35%	0.348	C	S	.	.	S	Bend	trans	81.9	11.9	-176.7	0	0	0	0	0	114.8	D867 N870 P912 Y913 K914	D867-G872 PolarHBondContact OD2-N 3.46Å; N870-G872 PolarHBondContact O-N 3.39Å; N870-G872 VanDerWaalsContact O-N 3.14Å; G872-P912 CarbonylContact O-C 3.49Å; G872-P912 VanDerWaalsContact O-CA 3.27Å; G872-P912 WeakPolarHBondContact O-CA 3.39Å; G872-Y913 VanDerWaalsContact C-CD1 3.41Å; G872-Y913 VanDerWaalsContact O-CD1 3.25Å; G872-Y913 WeakPolarHBondContact O-CD1 3.18Å; G872-Y913 PolarHBondContact O-N 3Å; G872-Y913 VanDerWaalsContact O-N 3.14Å; G872-K914 VanDerWaalsContact CA-NZ 3.34Å
873	R	71.8	Confident	73	Confident	80 Å²	80	66.9 Å²	66.9	30%	0.302	34%	0.34	S	S	.	.			trans	-124.9	151	179.4	-68.5	168.4	160.7	-83.7	1.2	110.2	C871 D904 S908 T910 L911 P912	C871-R873 VanDerWaalsContact C-N 3.35Å; C871-R873 PolarHBondContact SG-N 3.42Å; C871-R873 VanDerWaalsContact SG-N 3.39Å; C871-R873 PolarHBondContact SG-O 2.95Å; R873-D904 IonicContact CZ-OD1 2.65Å; R873-D904 VanDerWaalsContact CZ-OD1 3.25Å; R873-D904 IonicContact NH1-OD1 3.24Å; R873-D904 PolarHBondContact NH1-OD1 3.4Å; R873-D904 IonicContact NH1-OD2 2.77Å; R873-D904 IonicContact NH2-OD1 2.67Å; R873-D904 PolarHBondContact NH2-OD1 3.5Å; R873-S908 PolarHBondContact NH1-OG 3.14Å; R873-T910 WeakPolarHBondContact CD-OG1 3.21Å; R873-T910 PolarHBondContact NH1-O 2.98Å; R873-T910 PolarHBondContact NH1-OG1 3.23Å; R873-L911 CarbonylContact C-O 3.43Å; R873-L911 VanDerWaalsContact CA-O 3.3Å; R873-L911 WeakPolarHBondContact CA-O 3.4Å; R873-P912 HydrophobicContact CG-CB 4.12Å
874	L	73.6	Confident	73	Confident	8 Å²	8	70.2 Å²	70.2	4%	0.042	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.7	177.5	-73.6	170.8	0	0	0	110	M863 A866 D867 I878 F879 L882 T910 L911 Y913	M863-L874 HydrophobicContact CB-CD1 3.74Å; M863-L874 HydrophobicContact CG-CD1 3.67Å; M863-L874 HydrophobicContact SD-CD1 4.42Å; A866-L874 HydrophobicContact CB-CD2 3.66Å; D867-L874 HydrophobicContact CB-CD2 4.01Å; L874-I878 HydrophobicContact CD2-CG2 4.39Å; L874-F879 HydrophobicContact CB-CB 4.46Å; L874-L882 HydrophobicContact CD1-CD1 4.19Å; L874-T910 CarbonylContact O-C 3.52Å; L874-T910 WeakPolarHBondContact O-CA 3.35Å; L874-L911 PolarHBondContact N-O 3.26Å; L874-L911 PolarHBondContact O-N 2.89Å; L874-Y913 HydrophobicContact CB-CD1 4.45Å; L874-Y913 HydrophobicContact CD1-CD1 3.73Å; L874-Y913 HydrophobicContact CD1-CE1 4.24Å; L874-Y913 HydrophobicContact CD1-CG 3.91Å; L874-Y913 HydrophobicContact CG-CD1 3.66Å; L874-Y913 HydrophobicContact CG-CE1 4.03Å; L874-Y913 HydrophobicContact CG-CG 4.33Å
875	D	74.7	Confident	72.9	Confident	83 Å²	83	72.8 Å²	72.8	44%	0.444	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	141.3	175.5	-56.2	-28.6	0	0	0	111	P877 I878 F879	D875-P877 HydrophobicContact CB-CG 4.4Å; D875-I878 HydrophobicContact CB-CB 4.43Å; D875-I878 HydrophobicContact CB-CD1 4.05Å; D875-I878 HydrophobicContact CB-CG1 4.17Å; D875-I878 PolarHBondContact O-N 3.35Å; D875-F879 PolarHBondContact O-N 3.04Å
876	A	70.9	Confident	72.2	Confident	14 Å²	14	64.8 Å²	64.8	12%	0.116	33%	0.331	C	S	.	.	H	α-helix	trans	-49.2	-44.4	-178.7	0	0	0	0	0	116	R880 V896 L900 G909 L911	A876-R880 PolarHBondContact O-N 2.75Å; A876-V896 HydrophobicContact CB-CG1 4.2Å; A876-L900 HydrophobicContact CB-CD1 4.03Å; A876-L900 HydrophobicContact CB-CD2 4.36Å; A876-G909 PolarHBondContact N-O 3.08Å; A876-L911 HydrophobicContact CB-CD1 4.48Å
877	P	75.2	Confident	71.5	Confident	82 Å²	82	63.6 Å²	63.6	53%	0.532	32%	0.32	S	S	.	.	H	α-helix	trans	-66.6	-40.2	175.1	24.8	-34	0	0	0	112.9	D875 F879 R880 E881	D875-P877 HydrophobicContact CB-CG 4.4Å; P877-F879 VanDerWaalsContact C-N 3.35Å; P877-F879 PolarHBondContact O-N 3.06Å; P877-R880 WeakPolarHBondContact O-CB 3.46Å; P877-R880 PolarHBondContact O-N 3.2Å; P877-R880 VanDerWaalsContact O-N 3.16Å; P877-E881 PolarHBondContact O-N 2.8Å
878	I	76.9	Confident	70.7	Confident	59 Å²	59	66.2 Å²	66.2	30%	0.303	35%	0.349	S	S	.	.	H	α-helix	trans	-65	-42	178.1	-59.5	177.8	0	0	0	110.1	A866 L874 D875 R880 E881 L882	A866-I878 HydrophobicContact CB-CG2 3.89Å; L874-I878 HydrophobicContact CD2-CG2 4.39Å; D875-I878 HydrophobicContact CB-CB 4.43Å; D875-I878 HydrophobicContact CB-CD1 4.05Å; D875-I878 HydrophobicContact CB-CG1 4.17Å; D875-I878 PolarHBondContact O-N 3.35Å; I878-R880 VanDerWaalsContact C-N 3.34Å; I878-R880 PolarHBondContact O-N 3.31Å; I878-E881 PolarHBondContact O-N 3.43Å; I878-L882 HydrophobicContact CG2-CD1 3.9Å; I878-L882 HydrophobicContact CG2-CG 4.36Å; I878-L882 WeakPolarHBondContact O-CB 3.33Å; I878-L882 VanDerWaalsContact O-CG 3.23Å; I878-L882 WeakPolarHBondContact O-CG 3.21Å; I878-L882 PolarHBondContact O-N 3.11Å
879	F	75.1	Confident	70.4	Confident	5 Å²	5	58.4 Å²	58.4	2%	0.022	32%	0.317	C	S	.	.	H	α-helix	trans	-59.7	-43.7	172.8	177.9	-90.1	0	0	0	111.7	M863 L874 D875 P877 L882 Y883 L891 L899 L911 L916	M863-F879 HydrophobicContact CE-CD2 3.81Å; M863-F879 HydrophobicContact CE-CE2 3.69Å; L874-F879 HydrophobicContact CB-CB 4.46Å; D875-F879 PolarHBondContact O-N 3.04Å; P877-F879 VanDerWaalsContact C-N 3.35Å; P877-F879 PolarHBondContact O-N 3.06Å; F879-L882 PolarHBondContact O-N 3.36Å; F879-Y883 HydrophobicContact CE1-CD2 4.24Å; F879-Y883 HydrophobicContact CE1-CG 4.39Å; F879-Y883 AromaticContact CZ-CD2 3.87Å; F879-Y883 HydrophobicContact CZ-CD2 3.87Å; F879-Y883 HydrophobicContact CZ-CG 4.44Å; F879-Y883 WeakPolarHBondContact O-CB 3.14Å; F879-Y883 PolarHBondContact O-N 3.49Å; F879-L891 HydrophobicContact CD1-CD1 4.48Å; F879-L891 HydrophobicContact CE1-CD1 3.95Å; F879-L899 HydrophobicContact CE1-CD1 4.24Å; F879-L911 HydrophobicContact CB-CD1 3.92Å; F879-L911 HydrophobicContact CD1-CD1 3.53Å; F879-L911 HydrophobicContact CD2-CB 4.46Å; F879-L911 HydrophobicContact CD2-CD1 4.45Å; F879-L911 HydrophobicContact CE1-CD1 4.18Å; F879-L911 HydrophobicContact CG-CB 4.38Å; F879-L911 HydrophobicContact CG-CD1 3.69Å; F879-L916 HydrophobicContact CE2-CD1 3.62Å; F879-L916 HydrophobicContact CZ-CD1 3.53Å
880	R	73.5	Confident	70.2	Confident	68 Å²	68	59.3 Å²	59.3	26%	0.257	31%	0.314	S	S	.	.	H	α-helix	trans	-58.5	-50.9	177.7	-174.4	-173.1	-59.4	-163.4	-3.2	111.7	A876 P877 I878 L882 Y883 Q884 D893 V896	A876-R880 PolarHBondContact O-N 2.75Å; P877-R880 WeakPolarHBondContact O-CB 3.46Å; P877-R880 PolarHBondContact O-N 3.2Å; P877-R880 VanDerWaalsContact O-N 3.16Å; I878-R880 VanDerWaalsContact C-N 3.34Å; I878-R880 PolarHBondContact O-N 3.31Å; R880-L882 PolarHBondContact O-N 3.38Å; R880-Y883 PolarHBondContact O-N 2.91Å; R880-Q884 VanDerWaalsContact O-CB 3.29Å; R880-Q884 WeakPolarHBondContact O-CB 3.06Å; R880-Q884 PolarHBondContact O-N 3.22Å; R880-D893 IonicContact CZ-OD1 2.7Å; R880-D893 IonicContact NH1-OD1 3.72Å; R880-D893 PolarHBondContact NH1-OD1 2.97Å; R880-D893 IonicContact NH1-OD2 2.85Å; R880-D893 IonicContact NH2-OD1 2.76Å; R880-D893 PolarHBondContact NH2-OD1 3.19Å; R880-V896 HydrophobicContact CG-CG2 4.48Å
881	E	75.2	Confident	70.3	Confident	135 Å²	135	54.1 Å²	54.1	63%	0.631	29%	0.286	S	S	*	.	H	α-helix	trans	-60	-45.9	178.1	-71.2	-178.7	178.2	0	0	112.1	P877 I878 Q884 Y885	P877-E881 PolarHBondContact O-N 2.8Å; I878-E881 PolarHBondContact O-N 3.43Å; E881-Q884 PolarHBondContact O-N 3.14Å; E881-Y885 WeakPolarHBondContact O-CB 3.28Å; E881-Y885 PolarHBondContact O-N 2.89Å
882	L	75.2	Confident	70.8	Confident	28 Å²	28	54.2 Å²	54.2	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-69	-36.4	-179	-69	-179.4	0	0	0	112.9	M863 A866 L874 I878 F879 R880 G886	M863-L882 HydrophobicContact CB-CD1 4.39Å; M863-L882 HydrophobicContact CE-CB 4.12Å; M863-L882 HydrophobicContact CG-CB 4.21Å; M863-L882 HydrophobicContact CG-CD1 3.79Å; A866-L882 HydrophobicContact CB-CD1 3.78Å; L874-L882 HydrophobicContact CD1-CD1 4.19Å; I878-L882 HydrophobicContact CG2-CD1 3.9Å; I878-L882 HydrophobicContact CG2-CG 4.36Å; I878-L882 WeakPolarHBondContact O-CB 3.33Å; I878-L882 VanDerWaalsContact O-CG 3.23Å; I878-L882 WeakPolarHBondContact O-CG 3.21Å; I878-L882 PolarHBondContact O-N 3.11Å; F879-L882 PolarHBondContact O-N 3.36Å; R880-L882 PolarHBondContact O-N 3.38Å; L882-G886 PolarHBondContact O-N 2.89Å
883	Y	71	Confident	70.9	Confident	20 Å²	20	59.3 Å²	59.3	8%	0.078	31%	0.311	C	S	.	.	H	α-helix	trans	-67.8	-44.6	174.5	-169.3	-85.8	0	0	0	111.3	V845 M859 F879 R880 Y885 G886 T887 V889 L891	V845-Y883 HydrophobicContact CG1-CE1 3.59Å; V845-Y883 VanDerWaalsContact CG1-OH 3.23Å; V845-Y883 WeakPolarHBondContact CG1-OH 3.4Å; M859-Y883 HydrophobicContact SD-CD2 4.39Å; F879-Y883 HydrophobicContact CE1-CD2 4.24Å; F879-Y883 HydrophobicContact CE1-CG 4.39Å; F879-Y883 AromaticContact CZ-CD2 3.87Å; F879-Y883 HydrophobicContact CZ-CD2 3.87Å; F879-Y883 HydrophobicContact CZ-CG 4.44Å; F879-Y883 WeakPolarHBondContact O-CB 3.14Å; F879-Y883 PolarHBondContact O-N 3.49Å; R880-Y883 PolarHBondContact O-N 2.91Å; Y883-Y885 VanDerWaalsContact C-N 3.35Å; Y883-Y885 PolarHBondContact O-N 3.48Å; Y883-G886 PolarHBondContact O-N 3.13Å; Y883-T887 HydrophobicContact CD1-CG2 4.1Å; Y883-T887 WeakPolarHBondContact CD1-OG1 3.41Å; Y883-T887 HydrophobicContact CD2-CG2 4.27Å; Y883-T887 HydrophobicContact CE1-CG2 3.71Å; Y883-T887 VanDerWaalsContact CE1-OG1 3.28Å; Y883-T887 WeakPolarHBondContact CE1-OG1 3.39Å; Y883-T887 HydrophobicContact CE2-CG2 3.91Å; Y883-T887 HydrophobicContact CG-CG2 4.35Å; Y883-T887 WeakPolarHBondContact O-CB 3.32Å; Y883-T887 WeakPolarHBondContact O-CG2 3.48Å; Y883-T887 PolarHBondContact O-N 3.42Å; Y883-T887 PolarHBondContact O-OG1 3.38Å; Y883-V889 HydrophobicContact CE1-CB 4.45Å; Y883-L891 HydrophobicContact CD1-CD1 3.66Å; Y883-L891 HydrophobicContact CD1-CD2 4.34Å; Y883-L891 HydrophobicContact CD1-CG 3.84Å; Y883-L891 HydrophobicContact CE1-CD1 4.25Å; Y883-L891 HydrophobicContact CE1-CD2 4.18Å; Y883-L891 HydrophobicContact CE1-CG 4.17Å; Y883-L891 HydrophobicContact CG-CD1 3.88Å
884	Q	75	Confident	70.8	Confident	73 Å²	73	60.7 Å²	60.7	34%	0.341	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-43.7	175.1	-173.9	-173.9	-47.9	0	0	111.1	R880 E881 G886 G888 V889 H890	R880-Q884 VanDerWaalsContact O-CB 3.29Å; R880-Q884 WeakPolarHBondContact O-CB 3.06Å; R880-Q884 PolarHBondContact O-N 3.22Å; E881-Q884 PolarHBondContact O-N 3.14Å; Q884-G886 PolarHBondContact O-N 3.41Å; Q884-G888 VanDerWaalsContact O-CA 3.31Å; Q884-G888 WeakPolarHBondContact O-CA 3.23Å; Q884-G888 PolarHBondContact O-N 3.44Å; Q884-V889 WeakPolarHBondContact CA-O 3.21Å; Q884-H890 VanDerWaalsContact CD-ND1 3.34Å; Q884-H890 PolarHBondContact NE2-CE1 3.34Å; Q884-H890 PolarHBondContact OE1-ND1 3.31Å; Q884-H890 VanDerWaalsContact OE1-ND1 3.14Å
885	Y	71.7	Confident	70.4	Confident	149 Å²	149	61.9 Å²	61.9	58%	0.584	33%	0.326	S	S	*	.	H	α-helix	trans	-67.4	-31.1	175.7	-173.1	-91.8	0	0	0	113.5	K858 E881 Y883	K858-Y885 HydrophobicContact CD-CE1 4.27Å; K858-Y885 PolarHBondContact NZ-OH 2.79Å; E881-Y885 WeakPolarHBondContact O-CB 3.28Å; E881-Y885 PolarHBondContact O-N 2.89Å; Y883-Y885 VanDerWaalsContact C-N 3.35Å; Y883-Y885 PolarHBondContact O-N 3.48Å
886	G	64.8	Low	70.1	Confident	13 Å²	13	58.1 Å²	58.1	13%	0.134	31%	0.306	C	S	.	.	H	α-helix	trans	-84.2	-30	-179	0	0	0	0	0	115.2	L882 Y883 Q884	L882-G886 PolarHBondContact O-N 2.89Å; Y883-G886 PolarHBondContact O-N 3.13Å; Q884-G886 PolarHBondContact O-N 3.41Å
887	T	62.6	Low	70	Confident	9 Å²	9	64.7 Å²	64.7	6%	0.055	33%	0.329	C	S	.	.	H	α-helix	trans	-117.5	-18.9	-171.7	67.2	0	0	0	0	114.6	L854 M859 Y883 V889	L854-T887 HydrophobicContact CD2-CG2 3.95Å; M859-T887 HydrophobicContact SD-CG2 4.31Å; Y883-T887 HydrophobicContact CD1-CG2 4.1Å; Y883-T887 WeakPolarHBondContact CD1-OG1 3.41Å; Y883-T887 HydrophobicContact CD2-CG2 4.27Å; Y883-T887 HydrophobicContact CE1-CG2 3.71Å; Y883-T887 VanDerWaalsContact CE1-OG1 3.28Å; Y883-T887 WeakPolarHBondContact CE1-OG1 3.39Å; Y883-T887 HydrophobicContact CE2-CG2 3.91Å; Y883-T887 HydrophobicContact CG-CG2 4.35Å; Y883-T887 WeakPolarHBondContact O-CB 3.32Å; Y883-T887 WeakPolarHBondContact O-CG2 3.48Å; Y883-T887 PolarHBondContact O-N 3.42Å; Y883-T887 PolarHBondContact O-OG1 3.38Å; T887-V889 PolarHBondContact O-N 2.93Å; T887-V889 PolarHBondContact OG1-N 3.34Å; T887-V889 VanDerWaalsContact OG1-N 3.13Å
888	G	63.5	Low	69.5	Low	61 Å²	61	64.1 Å²	64.1	63%	0.629	32%	0.319	S	S	*	.	S	Bend	trans	74	6.1	-169.8	0	0	0	0	0	114.5	Q884	Q884-G888 VanDerWaalsContact O-CA 3.31Å; Q884-G888 WeakPolarHBondContact O-CA 3.23Å; Q884-G888 PolarHBondContact O-N 3.44Å
889	V	64.6	Low	68.8	Low	32 Å²	32	61.8 Å²	61.8	19%	0.194	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-103.7	125.9	-178.5	-169.3	0	0	0	0	110.7	V845 P847 Y883 Q884 T887 L891	V845-V889 HydrophobicContact CG1-CB 4.16Å; V845-V889 HydrophobicContact CG1-CG1 3.82Å; P847-V889 HydrophobicContact CB-CG2 4.32Å; Y883-V889 HydrophobicContact CE1-CB 4.45Å; Q884-V889 WeakPolarHBondContact CA-O 3.21Å; T887-V889 PolarHBondContact O-N 2.93Å; T887-V889 PolarHBondContact OG1-N 3.34Å; T887-V889 VanDerWaalsContact OG1-N 3.13Å; V889-L891 PolarHBondContact O-N 3.04Å
890	H	63.3	Low	68.3	Low	130 Å²	130	63.4 Å²	63.4	60%	0.602	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-76.2	119.1	168.3	-68.9	-95.2	0	0	0	109.5	Q884	Q884-H890 VanDerWaalsContact CD-ND1 3.34Å; Q884-H890 PolarHBondContact NE2-CE1 3.34Å; Q884-H890 PolarHBondContact OE1-ND1 3.31Å; Q884-H890 VanDerWaalsContact OE1-ND1 3.14Å
891	L	66.6	Low	67.9	Low	11 Å²	11	64.2 Å²	64.2	6%	0.058	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-79.7	130.3	167.3	-65.3	167.6	0	0	0	109.1	V845 F879 Y883 V889 Q895 V896 L899	V845-L891 HydrophobicContact CG1-CD2 3.9Å; V845-L891 HydrophobicContact CG2-CD2 3.72Å; F879-L891 HydrophobicContact CD1-CD1 4.48Å; F879-L891 HydrophobicContact CE1-CD1 3.95Å; Y883-L891 HydrophobicContact CD1-CD1 3.66Å; Y883-L891 HydrophobicContact CD1-CD2 4.34Å; Y883-L891 HydrophobicContact CD1-CG 3.84Å; Y883-L891 HydrophobicContact CE1-CD1 4.25Å; Y883-L891 HydrophobicContact CE1-CD2 4.18Å; Y883-L891 HydrophobicContact CE1-CG 4.17Å; Y883-L891 HydrophobicContact CG-CD1 3.88Å; V889-L891 PolarHBondContact O-N 3.04Å; L891-Q895 HydrophobicContact CD2-CB 4.3Å; L891-V896 HydrophobicContact CB-CG2 3.68Å; L891-V896 HydrophobicContact CD1-CG2 4.17Å; L891-L899 HydrophobicContact CD1-CD1 4.02Å; L891-L899 HydrophobicContact CD2-CD1 4.24Å
892	T	74.2	Confident	67.3	Low	75 Å²	75	60.9 Å²	60.9	46%	0.46	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-71	161.6	171.7	65.5	0	0	0	0	111.2	E894 Q895 V896	T892-E894 PolarHBondContact O-N 3.2Å; T892-Q895 VanDerWaalsContact N-OE1 3.08Å; T892-Q895 PolarHBondContact O-N 2.81Å; T892-Q895 VanDerWaalsContact O-N 3.12Å; T892-Q895 WeakPolarHBondContact OG1-CG 3.33Å; T892-Q895 PolarHBondContact OG1-N 3.39Å; T892-Q895 VanDerWaalsContact OG1-N 3.11Å; T892-V896 WeakPolarHBondContact O-CG2 3.31Å; T892-V896 PolarHBondContact O-N 2.9Å
893	D	70.1	Confident	66.5	Low	111 Å²	111	59.7 Å²	59.7	59%	0.594	31%	0.311	S	S	*	.	H	α-helix	trans	-56.4	-40	174.1	-67.3	-67.4	0	0	0	112.1	R880 V896 Y897	R880-D893 IonicContact CZ-OD1 2.7Å; R880-D893 IonicContact NH1-OD1 3.72Å; R880-D893 PolarHBondContact NH1-OD1 2.97Å; R880-D893 IonicContact NH1-OD2 2.85Å; R880-D893 IonicContact NH2-OD1 2.76Å; R880-D893 PolarHBondContact NH2-OD1 3.19Å; D893-V896 PolarHBondContact O-N 2.93Å; D893-Y897 WeakPolarHBondContact O-CB 3.43Å; D893-Y897 PolarHBondContact O-N 3.09Å
894	E	69.2	Low	66.1	Low	109 Å²	109	59 Å²	59	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-46.6	173.5	-178.5	56.4	-145.9	0	0	112.1	T892 V896 Y897 Q898	T892-E894 PolarHBondContact O-N 3.2Å; E894-V896 VanDerWaalsContact C-N 3.35Å; E894-V896 PolarHBondContact O-N 3.29Å; E894-Y897 PolarHBondContact O-N 3.13Å; E894-Q898 VanDerWaalsContact O-CG 3.29Å; E894-Q898 WeakPolarHBondContact O-CG 3.42Å; E894-Q898 PolarHBondContact O-N 3.2Å; E894-Q898 PolarHBondContact OE1-NE2 3.08Å
895	Q	65.3	Low	65.4	Low	33 Å²	33	60.5 Å²	60.5	15%	0.154	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-36.1	177.1	-74.3	169.4	-22.9	0	0	112.4	L891 T892 L899	L891-Q895 HydrophobicContact CD2-CB 4.3Å; T892-Q895 VanDerWaalsContact N-OE1 3.08Å; T892-Q895 PolarHBondContact O-N 2.81Å; T892-Q895 VanDerWaalsContact O-N 3.12Å; T892-Q895 WeakPolarHBondContact OG1-CG 3.33Å; T892-Q895 PolarHBondContact OG1-N 3.39Å; T892-Q895 VanDerWaalsContact OG1-N 3.11Å; Q895-L899 WeakPolarHBondContact O-CB 3.39Å; Q895-L899 VanDerWaalsContact O-CG 3.3Å; Q895-L899 WeakPolarHBondContact O-CG 3.04Å; Q895-L899 PolarHBondContact O-N 3.23Å
896	V	67.4	Low	64.7	Low	4 Å²	4	59.6 Å²	59.6	2%	0.024	33%	0.33	C	S	.	.	H	α-helix	trans	-70	-36.9	174	177.3	0	0	0	0	111.4	A876 R880 L891 T892 D893 E894 L899 L900	A876-V896 HydrophobicContact CB-CG1 4.2Å; R880-V896 HydrophobicContact CG-CG2 4.48Å; L891-V896 HydrophobicContact CB-CG2 3.68Å; L891-V896 HydrophobicContact CD1-CG2 4.17Å; T892-V896 WeakPolarHBondContact O-CG2 3.31Å; T892-V896 PolarHBondContact O-N 2.9Å; D893-V896 PolarHBondContact O-N 2.93Å; E894-V896 VanDerWaalsContact C-N 3.35Å; E894-V896 PolarHBondContact O-N 3.29Å; V896-L899 PolarHBondContact O-N 3.33Å; V896-L900 HydrophobicContact CG1-CD1 4.14Å; V896-L900 WeakPolarHBondContact O-CB 3.47Å; V896-L900 WeakPolarHBondContact O-CG 3.44Å; V896-L900 PolarHBondContact O-N 3.39Å
897	Y	68.6	Low	64.5	Low	152 Å²	152	66.8 Å²	66.8	60%	0.596	36%	0.363	S	S	*	.	H	α-helix	trans	-65.2	-40.9	174	-177.8	-104.7	0	0	0	112	D893 E894 L900 T901	D893-Y897 WeakPolarHBondContact O-CB 3.43Å; D893-Y897 PolarHBondContact O-N 3.09Å; E894-Y897 PolarHBondContact O-N 3.13Å; Y897-L900 PolarHBondContact O-N 2.88Å; Y897-T901 WeakPolarHBondContact O-CB 3.29Å; Y897-T901 PolarHBondContact O-N 2.91Å; Y897-T901 PolarHBondContact O-OG1 3.34Å
898	Q	64.8	Low	64.4	Low	70 Å²	70	69 Å²	69	33%	0.327	38%	0.38	S	S	.	.	H	α-helix	trans	-65.8	-39.2	173.2	-69.7	174.6	15	0	0	112.3	I841 E894 T901 T902	I841-Q898 HydrophobicContact CD1-CB 3.98Å; E894-Q898 VanDerWaalsContact O-CG 3.29Å; E894-Q898 WeakPolarHBondContact O-CG 3.42Å; E894-Q898 PolarHBondContact O-N 3.2Å; E894-Q898 PolarHBondContact OE1-NE2 3.08Å; Q898-T901 PolarHBondContact O-N 3.39Å; Q898-T902 WeakPolarHBondContact O-CB 3.43Å; Q898-T902 WeakPolarHBondContact O-CG2 3.48Å; Q898-T902 PolarHBondContact O-N 3.11Å; Q898-T902 PolarHBondContact O-OG1 3.42Å
899	L	64.1	Low	64.3	Low	9 Å²	9	68 Å²	68	5%	0.047	37%	0.37	C	S	.	.	H	α-helix	trans	-64.2	-44.3	172.5	-76.4	167.6	0	0	0	112	I841 F879 L891 Q895 V896 T902 L903 L911	I841-L899 HydrophobicContact CG2-CD2 3.98Å; I841-L899 HydrophobicContact CG2-CG 4.13Å; F879-L899 HydrophobicContact CE1-CD1 4.24Å; L891-L899 HydrophobicContact CD1-CD1 4.02Å; L891-L899 HydrophobicContact CD2-CD1 4.24Å; Q895-L899 WeakPolarHBondContact O-CB 3.39Å; Q895-L899 VanDerWaalsContact O-CG 3.3Å; Q895-L899 WeakPolarHBondContact O-CG 3.04Å; Q895-L899 PolarHBondContact O-N 3.23Å; V896-L899 PolarHBondContact O-N 3.33Å; L899-T902 PolarHBondContact O-N 3.18Å; L899-T902 PolarHBondContact O-OG1 2.95Å; L899-L903 HydrophobicContact CB-CD1 4.35Å; L899-L903 HydrophobicContact CD2-CD1 4.08Å; L899-L903 VanDerWaalsContact O-CB 3.25Å; L899-L903 WeakPolarHBondContact O-CB 3.39Å; L899-L903 WeakPolarHBondContact O-CD1 3.29Å; L899-L903 WeakPolarHBondContact O-CG 3.2Å; L899-L903 PolarHBondContact O-N 3.29Å; L899-L911 HydrophobicContact CB-CD2 4.27Å
900	L	63.1	Low	64.3	Low	39 Å²	39	67.9 Å²	67.9	20%	0.204	37%	0.368	C	S	.	.	H	α-helix	trans	-58.7	-49.6	174	-79.2	162.1	0	0	0	111.1	A876 V896 Y897 T902 L903 D904 L911	A876-L900 HydrophobicContact CB-CD1 4.03Å; A876-L900 HydrophobicContact CB-CD2 4.36Å; V896-L900 HydrophobicContact CG1-CD1 4.14Å; V896-L900 WeakPolarHBondContact O-CB 3.47Å; V896-L900 WeakPolarHBondContact O-CG 3.44Å; V896-L900 PolarHBondContact O-N 3.39Å; Y897-L900 PolarHBondContact O-N 2.88Å; L900-T902 VanDerWaalsContact C-N 3.27Å; L900-T902 PolarHBondContact O-N 3.46Å; L900-L903 PolarHBondContact O-N 3.47Å; L900-D904 PolarHBondContact O-N 3.1Å; L900-L911 HydrophobicContact CD2-CD1 4.35Å; L900-L911 HydrophobicContact CD2-CD2 4.16Å; L900-L911 HydrophobicContact CD2-CG 3.8Å; L900-L911 HydrophobicContact CG-CD1 4.4Å; L900-L911 HydrophobicContact CG-CD2 4.32Å; L900-L911 HydrophobicContact CG-CG 4.24Å
901	T	66.5	Low	64.5	Low	85 Å²	85	61.7 Å²	61.7	52%	0.521	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-31.8	-179.4	-56.4	0	0	0	0	112.9	Y897 Q898	Y897-T901 WeakPolarHBondContact O-CB 3.29Å; Y897-T901 PolarHBondContact O-N 2.91Å; Y897-T901 PolarHBondContact O-OG1 3.34Å; Q898-T901 PolarHBondContact O-N 3.39Å
902	T	61.8	Low	64.5	Low	65 Å²	65	62 Å²	62	40%	0.399	34%	0.343	S	S	.	.	H	α-helix	trans	-89.1	-25.3	179.9	48.8	0	0	0	0	114.3	L838 I841 Q898 L899 L900	L838-T902 WeakPolarHBondContact CD2-OG1 3.22Å; I841-T902 HydrophobicContact CD1-CG2 4.48Å; Q898-T902 WeakPolarHBondContact O-CB 3.43Å; Q898-T902 WeakPolarHBondContact O-CG2 3.48Å; Q898-T902 PolarHBondContact O-N 3.11Å; Q898-T902 PolarHBondContact O-OG1 3.42Å; L899-T902 PolarHBondContact O-N 3.18Å; L899-T902 PolarHBondContact O-OG1 2.95Å; L900-T902 VanDerWaalsContact C-N 3.27Å; L900-T902 PolarHBondContact O-N 3.46Å
903	L	58.9	Low	64.2	Low	4 Å²	4	58.7 Å²	58.7	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-105.7	-28.1	-174.1	-67.8	162.8	0	0	0	114.3	L838 L899 L900 L911 P912 L916	L838-L903 HydrophobicContact CD1-CD2 3.81Å; L838-L903 HydrophobicContact CD2-CD2 4.18Å; L838-L903 HydrophobicContact CD2-CG 4.19Å; L899-L903 HydrophobicContact CB-CD1 4.35Å; L899-L903 HydrophobicContact CD2-CD1 4.08Å; L899-L903 VanDerWaalsContact O-CB 3.25Å; L899-L903 WeakPolarHBondContact O-CB 3.39Å; L899-L903 WeakPolarHBondContact O-CD1 3.29Å; L899-L903 WeakPolarHBondContact O-CG 3.2Å; L899-L903 PolarHBondContact O-N 3.29Å; L900-L903 PolarHBondContact O-N 3.47Å; L903-L911 HydrophobicContact CB-CD2 4.04Å; L903-L911 HydrophobicContact CD1-CD2 3.61Å; L903-L911 HydrophobicContact CG-CD2 4.47Å; L903-P912 HydrophobicContact CB-CG 4.1Å; L903-P912 WeakPolarHBondContact O-CG 3.47Å; L903-L916 HydrophobicContact CD1-CD1 3.58Å; L903-L916 HydrophobicContact CD1-CD2 3.92Å; L903-L916 HydrophobicContact CD1-CG 3.62Å; L903-L916 HydrophobicContact CD2-CD2 4.35Å; L903-L916 HydrophobicContact CD2-CG 4.06Å
904	D	61.5	Low	63.9	Low	5 Å²	5	57.8 Å²	57.8	3%	0.027	31%	0.312	C	S	.	.			trans	-130	81.7	-175.5	-167.9	52.8	0	0	0	112.8	R873 L900 N906 I907 S908	R873-D904 IonicContact CZ-OD1 2.65Å; R873-D904 VanDerWaalsContact CZ-OD1 3.25Å; R873-D904 IonicContact NH1-OD1 3.24Å; R873-D904 PolarHBondContact NH1-OD1 3.4Å; R873-D904 IonicContact NH1-OD2 2.77Å; R873-D904 IonicContact NH2-OD1 2.67Å; R873-D904 PolarHBondContact NH2-OD1 3.5Å; L900-D904 PolarHBondContact O-N 3.1Å; D904-N906 PolarHBondContact O-N 2.93Å; D904-I907 PolarHBondContact O-N 2.93Å; D904-S908 VanDerWaalsContact CG-OG 3.3Å; D904-S908 PolarHBondContact OD1-OG 2.76Å; D904-S908 WeakPolarHBondContact OD2-CA 3.21Å; D904-S908 VanDerWaalsContact OD2-CB 3.24Å; D904-S908 WeakPolarHBondContact OD2-CB 3.29Å; D904-S908 PolarHBondContact OD2-N 3.44Å; D904-S908 PolarHBondContact OD2-OG 2.99Å
905	P	60.4	Low	63.5	Low	104 Å²	104	59.4 Å²	59.4	68%	0.675	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-8.1	179.8	-25.1	35.3	0	0	0	115.8
906	N	57.4	Low	63.4	Low	131 Å²	131	58.6 Å²	58.6	70%	0.701	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	1	-172.6	-64.7	6.4	0	0	0	113.4	D904 S908	D904-N906 PolarHBondContact O-N 2.93Å; N906-S908 VanDerWaalsContact C-N 3.27Å; N906-S908 PolarHBondContact O-N 3.47Å
907	I	60.9	Low	63.2	Low	163 Å²	163	59.8 Å²	59.8	84%	0.836	32%	0.317	S	S	*	.			trans	53.3	41.8	179	-35.2	179.2	0	0	0	112.2	D904 G909	D904-I907 PolarHBondContact O-N 2.93Å; I907-G909 PolarHBondContact O-N 2.84Å
908	S	59.5	Low	62.9	Low	57 Å²	57	58.7 Å²	58.7	40%	0.399	32%	0.317	S	S	.	.			trans	-77.2	-5.2	-176.7	71.3	0	0	0	0	114.4	R873 D904 N906 T910	R873-S908 PolarHBondContact NH1-OG 3.14Å; D904-S908 VanDerWaalsContact CG-OG 3.3Å; D904-S908 PolarHBondContact OD1-OG 2.76Å; D904-S908 WeakPolarHBondContact OD2-CA 3.21Å; D904-S908 VanDerWaalsContact OD2-CB 3.24Å; D904-S908 WeakPolarHBondContact OD2-CB 3.29Å; D904-S908 PolarHBondContact OD2-N 3.44Å; D904-S908 PolarHBondContact OD2-OG 2.99Å; N906-S908 VanDerWaalsContact C-N 3.27Å; N906-S908 PolarHBondContact O-N 3.47Å; S908-T910 PolarHBondContact O-N 2.89Å; S908-T910 PolarHBondContact OG-N 2.87Å; S908-T910 PolarHBondContact OG-O 3.03Å; S908-T910 PolarHBondContact OG-OG1 3.23Å
909	G	62.1	Low	62.5	Low	40 Å²	40	58.6 Å²	58.6	41%	0.412	32%	0.319	S	S	.	.	S	Bend	trans	74.3	-5.3	-170	0	0	0	0	0	114.6	A876 I907	A876-G909 PolarHBondContact N-O 3.08Å; I907-G909 PolarHBondContact O-N 2.84Å
910	T	65.4	Low	62.1	Low	28 Å²	28	58.7 Å²	58.7	17%	0.172	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.9	-173.3	72.1	0	0	0	0	112.3	R873 L874 S908	R873-T910 WeakPolarHBondContact CD-OG1 3.21Å; R873-T910 PolarHBondContact NH1-O 2.98Å; R873-T910 PolarHBondContact NH1-OG1 3.23Å; L874-T910 CarbonylContact O-C 3.52Å; L874-T910 WeakPolarHBondContact O-CA 3.35Å; S908-T910 PolarHBondContact O-N 2.89Å; S908-T910 PolarHBondContact OG-N 2.87Å; S908-T910 PolarHBondContact OG-O 3.03Å; S908-T910 PolarHBondContact OG-OG1 3.23Å
911	L	65.6	Low	61.9	Low	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.2	179.2	-84.3	160.1	0	0	0	111	R873 L874 A876 F879 L899 L900 L903 Y913	R873-L911 CarbonylContact C-O 3.43Å; R873-L911 VanDerWaalsContact CA-O 3.3Å; R873-L911 WeakPolarHBondContact CA-O 3.4Å; L874-L911 PolarHBondContact N-O 3.26Å; L874-L911 PolarHBondContact O-N 2.89Å; A876-L911 HydrophobicContact CB-CD1 4.48Å; F879-L911 HydrophobicContact CB-CD1 3.92Å; F879-L911 HydrophobicContact CD1-CD1 3.53Å; F879-L911 HydrophobicContact CD2-CB 4.46Å; F879-L911 HydrophobicContact CD2-CD1 4.45Å; F879-L911 HydrophobicContact CE1-CD1 4.18Å; F879-L911 HydrophobicContact CG-CB 4.38Å; F879-L911 HydrophobicContact CG-CD1 3.69Å; L899-L911 HydrophobicContact CB-CD2 4.27Å; L900-L911 HydrophobicContact CD2-CD1 4.35Å; L900-L911 HydrophobicContact CD2-CD2 4.16Å; L900-L911 HydrophobicContact CD2-CG 3.8Å; L900-L911 HydrophobicContact CG-CD1 4.4Å; L900-L911 HydrophobicContact CG-CD2 4.32Å; L900-L911 HydrophobicContact CG-CG 4.24Å; L903-L911 HydrophobicContact CB-CD2 4.04Å; L903-L911 HydrophobicContact CD1-CD2 3.61Å; L903-L911 HydrophobicContact CG-CD2 4.47Å; L911-Y913 VanDerWaalsContact C-N 3.32Å; L911-Y913 PolarHBondContact O-N 2.7Å
912	P	67.3	Low	61.4	Low	18 Å²	18	61.5 Å²	61.5	12%	0.117	34%	0.336	C	S	.	.			trans	-74.4	79.7	177.8	29.8	-34.8	0	0	0	111.9	G872 R873 L903 K914 R915	G872-P912 CarbonylContact O-C 3.49Å; G872-P912 VanDerWaalsContact O-CA 3.27Å; G872-P912 WeakPolarHBondContact O-CA 3.39Å; R873-P912 HydrophobicContact CG-CB 4.12Å; L903-P912 HydrophobicContact CB-CG 4.1Å; L903-P912 WeakPolarHBondContact O-CG 3.47Å; P912-K914 PolarHBondContact O-N 2.98Å; P912-K914 VanDerWaalsContact O-N 3.12Å; P912-R915 WeakPolarHBondContact O-CB 3.03Å; P912-R915 PolarHBondContact O-N 3.4Å
913	Y	67.6	Low	61.1	Low	6 Å²	6	61.5 Å²	61.5	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-25.4	-173.2	76.9	-84.1	0	0	0	114.1	M863 D867 G872 L874 L911 R915 L916 I917	M863-Y913 HydrophobicContact CB-CD2 3.91Å; M863-Y913 HydrophobicContact CB-CE2 3.93Å; M863-Y913 HydrophobicContact SD-CD2 4.07Å; M863-Y913 HydrophobicContact SD-CG 4.46Å; D867-Y913 HydrophobicContact CB-CE1 4.05Å; D867-Y913 PolarHBondContact OD2-OH 3.42Å; G872-Y913 VanDerWaalsContact C-CD1 3.41Å; G872-Y913 VanDerWaalsContact O-CD1 3.25Å; G872-Y913 WeakPolarHBondContact O-CD1 3.18Å; G872-Y913 PolarHBondContact O-N 3Å; G872-Y913 VanDerWaalsContact O-N 3.14Å; L874-Y913 HydrophobicContact CB-CD1 4.45Å; L874-Y913 HydrophobicContact CD1-CD1 3.73Å; L874-Y913 HydrophobicContact CD1-CE1 4.24Å; L874-Y913 HydrophobicContact CD1-CG 3.91Å; L874-Y913 HydrophobicContact CG-CD1 3.66Å; L874-Y913 HydrophobicContact CG-CE1 4.03Å; L874-Y913 HydrophobicContact CG-CG 4.33Å; L911-Y913 VanDerWaalsContact C-N 3.32Å; L911-Y913 PolarHBondContact O-N 2.7Å; Y913-R915 VanDerWaalsContact C-N 3.3Å; Y913-R915 PolarHBondContact O-N 3.04Å; Y913-L916 PolarHBondContact O-N 2.87Å; Y913-I917 HydrophobicContact CD2-CD1 3.55Å; Y913-I917 HydrophobicContact CE2-CD1 3.93Å; Y913-I917 WeakPolarHBondContact O-CD1 3.38Å; Y913-I917 WeakPolarHBondContact O-CG1 3.38Å; Y913-I917 PolarHBondContact O-N 3.31Å; Y913-I917 VanDerWaalsContact O-N 3.11Å
914	K	65.3	Low	60.9	Low	91 Å²	91	62.9 Å²	62.9	40%	0.396	34%	0.34	S	S	.	.	H	α-helix	trans	-59	-38.6	173.2	-69.2	179.9	-176	153.4	0	112.5	N870 G872 P912 I917 E918	N870-K914 PolarHBondContact O-NZ 3.33Å; G872-K914 VanDerWaalsContact CA-NZ 3.34Å; P912-K914 PolarHBondContact O-N 2.98Å; P912-K914 VanDerWaalsContact O-N 3.12Å; K914-I917 WeakPolarHBondContact O-CB 3.5Å; K914-I917 PolarHBondContact O-N 3.49Å; K914-I917 VanDerWaalsContact O-N 3.14Å; K914-E918 PolarHBondContact O-N 2.82Å
915	R	60.3	Low	60.5	Low	143 Å²	143	66.6 Å²	66.6	54%	0.54	36%	0.359	S	S	.	.	H	α-helix	trans	-68.7	-42.1	179.9	-163.5	176.2	-168.6	164.8	5.8	112.1	P912 Y913 I917 E918 D919	P912-R915 WeakPolarHBondContact O-CB 3.03Å; P912-R915 PolarHBondContact O-N 3.4Å; Y913-R915 VanDerWaalsContact C-N 3.3Å; Y913-R915 PolarHBondContact O-N 3.04Å; R915-I917 PolarHBondContact O-N 3.42Å; R915-E918 PolarHBondContact O-N 2.9Å; R915-D919 PolarHBondContact O-N 3.33Å; R915-D919 VanDerWaalsContact O-N 3.11Å
916	L	62.2	Low	60.1	Low	16 Å²	16	66.6 Å²	66.6	8%	0.084	35%	0.35	C	S	.	.	H	α-helix	trans	-58.4	-34.2	170.3	-84.3	169	0	0	0	112.5	L838 F879 L903 Y913 T920	L838-L916 HydrophobicContact CD1-CD2 4.39Å; F879-L916 HydrophobicContact CE2-CD1 3.62Å; F879-L916 HydrophobicContact CZ-CD1 3.53Å; L903-L916 HydrophobicContact CD1-CD1 3.58Å; L903-L916 HydrophobicContact CD1-CD2 3.92Å; L903-L916 HydrophobicContact CD1-CG 3.62Å; L903-L916 HydrophobicContact CD2-CD2 4.35Å; L903-L916 HydrophobicContact CD2-CG 4.06Å; Y913-L916 PolarHBondContact O-N 2.87Å; L916-T920 WeakPolarHBondContact O-CB 3.42Å; L916-T920 VanDerWaalsContact O-CG2 3.29Å; L916-T920 WeakPolarHBondContact O-CG2 3.38Å; L916-T920 PolarHBondContact O-N 2.97Å; L916-T920 PolarHBondContact O-OG1 3.36Å
917	I	63	Low	59.7	Low	30 Å²	30	65.5 Å²	65.5	15%	0.154	34%	0.337	C	S	.	.	H	α-helix	trans	-71.1	-44.2	177.8	-69.9	157.4	0	0	0	110.7	L860 Y913 K914 R915 D919 T920 Q921	L860-I917 HydrophobicContact CD1-CD1 3.45Å; L860-I917 VanDerWaalsContact CD1-CD1 3.45Å; L860-I917 HydrophobicContact CD1-CG1 4.45Å; Y913-I917 HydrophobicContact CD2-CD1 3.55Å; Y913-I917 HydrophobicContact CE2-CD1 3.93Å; Y913-I917 WeakPolarHBondContact O-CD1 3.38Å; Y913-I917 WeakPolarHBondContact O-CG1 3.38Å; Y913-I917 PolarHBondContact O-N 3.31Å; Y913-I917 VanDerWaalsContact O-N 3.11Å; K914-I917 WeakPolarHBondContact O-CB 3.5Å; K914-I917 PolarHBondContact O-N 3.49Å; K914-I917 VanDerWaalsContact O-N 3.14Å; R915-I917 PolarHBondContact O-N 3.42Å; I917-D919 PolarHBondContact O-N 2.99Å; I917-T920 PolarHBondContact O-N 3.47Å; I917-T920 PolarHBondContact O-OG1 3.2Å; I917-Q921 HydrophobicContact CG2-CG 3.97Å; I917-Q921 VanDerWaalsContact CG2-NE2 3.28Å; I917-Q921 VanDerWaalsContact O-CB 3.29Å; I917-Q921 WeakPolarHBondContact O-CB 3.33Å; I917-Q921 VanDerWaalsContact O-CG 3.22Å; I917-Q921 WeakPolarHBondContact O-CG 3.11Å; I917-Q921 PolarHBondContact O-N 3.04Å
918	E	62.5	Low	59.1	Low	128 Å²	128	63.1 Å²	63.1	60%	0.598	32%	0.322	S	S	*	.	H	α-helix	trans	-58.8	-48.3	177.7	-71.4	159.7	-166.5	0	0	111.2	K914 R915 T920	K914-E918 PolarHBondContact O-N 2.82Å; R915-E918 PolarHBondContact O-N 2.9Å; E918-T920 PolarHBondContact O-N 3.19Å
919	D	56.6	Low	58.8	Low	68 Å²	68	69.2 Å²	69.2	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-66.1	-37.2	178.4	-69.7	-38.1	0	0	0	112.9	L838 R915 I917	L838-D919 WeakPolarHBondContact CD1-OD2 3.26Å; R915-D919 PolarHBondContact O-N 3.33Å; R915-D919 VanDerWaalsContact O-N 3.11Å; I917-D919 PolarHBondContact O-N 2.99Å
920	T	56.8	Low	58.1	Low	12 Å²	12	72.9 Å²	72.9	7%	0.074	34%	0.341	C	S	.	.	H	α-helix	trans	-81.6	-28.2	179.9	54.2	0	0	0	0	114	L842 W856 L916 I917 E918 S922 I923 I924	L842-T920 HydrophobicContact CD1-CG2 3.96Å; L842-T920 HydrophobicContact CD2-CG2 4.14Å; W856-T920 HydrophobicContact CH2-CG2 4.42Å; L916-T920 WeakPolarHBondContact O-CB 3.42Å; L916-T920 VanDerWaalsContact O-CG2 3.29Å; L916-T920 WeakPolarHBondContact O-CG2 3.38Å; L916-T920 PolarHBondContact O-N 2.97Å; L916-T920 PolarHBondContact O-OG1 3.36Å; I917-T920 PolarHBondContact O-N 3.47Å; I917-T920 PolarHBondContact O-OG1 3.2Å; E918-T920 PolarHBondContact O-N 3.19Å; T920-S922 VanDerWaalsContact C-N 3.31Å; T920-S922 PolarHBondContact O-N 3.33Å; T920-I923 WeakPolarHBondContact O-CB 3.29Å; T920-I923 PolarHBondContact O-N 3.44Å; T920-I923 VanDerWaalsContact O-N 3.1Å; T920-I924 WeakPolarHBondContact O-CG1 3.34Å; T920-I924 PolarHBondContact O-N 2.93Å
921	Q	57.4	Low	57.1	Low	95 Å²	95	78.6 Å²	78.6	44%	0.444	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-38.4	176.3	-83.9	178.1	-2.3	0	0	112.2	I917 I923 I924 N925	I917-Q921 HydrophobicContact CG2-CG 3.97Å; I917-Q921 VanDerWaalsContact CG2-NE2 3.28Å; I917-Q921 VanDerWaalsContact O-CB 3.29Å; I917-Q921 WeakPolarHBondContact O-CB 3.33Å; I917-Q921 VanDerWaalsContact O-CG 3.22Å; I917-Q921 WeakPolarHBondContact O-CG 3.11Å; I917-Q921 PolarHBondContact O-N 3.04Å; Q921-I923 VanDerWaalsContact C-N 3.25Å; Q921-I923 PolarHBondContact O-N 3Å; Q921-I924 PolarHBondContact O-N 3.41Å; Q921-N925 WeakPolarHBondContact O-CB 3.49Å; Q921-N925 VanDerWaalsContact O-CG 3.31Å; Q921-N925 PolarHBondContact O-N 3.32Å; Q921-N925 PolarHBondContact O-ND2 2.86Å
922	S	56.5	Low	56.2	Low	88 Å²	88	83.9 Å²	83.9	62%	0.615	39%	0.388	S	S	*	.	H	α-helix	trans	-58.5	-39.7	174.4	-175	0	0	0	0	111.9	T920 H926	T920-S922 VanDerWaalsContact C-N 3.31Å; T920-S922 PolarHBondContact O-N 3.33Å; S922-H926 PolarHBondContact O-N 2.87Å
923	I	56.1	Low	55.1	Low	64 Å²	64	86.3 Å²	86.3	33%	0.328	41%	0.406	S	S	.	.	H	α-helix	trans	-71	-48.8	178.9	-57.3	174.4	0	0	0	110.5	L839 T920 Q921 N925 H926 Y927	L839-I923 HydrophobicContact CD2-CD1 4.3Å; T920-I923 WeakPolarHBondContact O-CB 3.29Å; T920-I923 PolarHBondContact O-N 3.44Å; T920-I923 VanDerWaalsContact O-N 3.1Å; Q921-I923 VanDerWaalsContact C-N 3.25Å; Q921-I923 PolarHBondContact O-N 3Å; I923-N925 PolarHBondContact O-N 2.95Å; I923-H926 WeakPolarHBondContact O-CB 3.17Å; I923-H926 PolarHBondContact O-N 3.04Å; I923-H926 VanDerWaalsContact O-N 3.15Å; I923-Y927 HydrophobicContact CG2-CD2 3.85Å; I923-Y927 HydrophobicContact CG2-CE2 3.77Å; I923-Y927 WeakPolarHBondContact O-CD2 3.44Å; I923-Y927 PolarHBondContact O-N 2.84Å; I923-Y927 VanDerWaalsContact O-N 3.14Å
924	I	53.6	Low	54.2	Low	34 Å²	34	92.9 Å²	92.9	17%	0.174	43%	0.434	C	S	.	.	H	α-helix	trans	-58.4	-50.1	-179.3	-67	164.2	0	0	0	110.7	W856 T920 Q921 H926 Y927 E928	W856-I924 HydrophobicContact CD2-CD1 3.82Å; W856-I924 HydrophobicContact CE3-CD1 4.26Å; W856-I924 HydrophobicContact CG-CD1 3.96Å; T920-I924 WeakPolarHBondContact O-CG1 3.34Å; T920-I924 PolarHBondContact O-N 2.93Å; Q921-I924 PolarHBondContact O-N 3.41Å; I924-H926 PolarHBondContact O-N 3.36Å; I924-Y927 PolarHBondContact O-N 3.02Å; I924-Y927 VanDerWaalsContact O-N 3.07Å; I924-E928 HydrophobicContact CG2-CG 4.34Å; I924-E928 PolarHBondContact O-N 3.24Å
925	N	54.4	Low	53.2	Low	83 Å²	83	93.1 Å²	93.1	44%	0.444	44%	0.44	S	S	.	.	H	α-helix	trans	-57.5	-32.6	178.1	-76.8	-46.8	0	0	0	113.1	Q921 I923 R929	Q921-N925 WeakPolarHBondContact O-CB 3.49Å; Q921-N925 VanDerWaalsContact O-CG 3.31Å; Q921-N925 PolarHBondContact O-N 3.32Å; Q921-N925 PolarHBondContact O-ND2 2.86Å; I923-N925 PolarHBondContact O-N 2.95Å; N925-R929 VanDerWaalsContact O-CG 3.3Å; N925-R929 WeakPolarHBondContact O-CG 3.38Å; N925-R929 PolarHBondContact O-N 2.58Å
926	H	51.7	Low	52.5	Low	104 Å²	104	91.8 Å²	91.8	48%	0.481	44%	0.439	S	S	.	.	H	α-helix	trans	-71.4	-43.3	175.6	-175.5	88.7	0	0	0	112.1	S922 I923 I924 K930	S922-H926 PolarHBondContact O-N 2.87Å; I923-H926 WeakPolarHBondContact O-CB 3.17Å; I923-H926 PolarHBondContact O-N 3.04Å; I923-H926 VanDerWaalsContact O-N 3.15Å; I924-H926 PolarHBondContact O-N 3.36Å; H926-K930 VanDerWaalsContact O-CB 3.31Å; H926-K930 WeakPolarHBondContact O-CB 3.44Å; H926-K930 PolarHBondContact O-N 3.42Å; H926-K930 VanDerWaalsContact O-N 3.12Å
927	Y	48	Very low	51.8	Low	107 Å²	107	96.6 Å²	96.6	42%	0.42	46%	0.46	S	S	.	.	H	α-helix	trans	-68.9	-39.4	179	-83.3	-79.8	0	0	0	113	I851 I923 I924 K930 Y931	I851-Y927 HydrophobicContact CD1-CD1 4.04Å; I851-Y927 HydrophobicContact CD1-CD2 4.08Å; I851-Y927 HydrophobicContact CD1-CE1 4.32Å; I851-Y927 HydrophobicContact CD1-CE2 4.37Å; I851-Y927 HydrophobicContact CD1-CG 3.92Å; I923-Y927 HydrophobicContact CG2-CD2 3.85Å; I923-Y927 HydrophobicContact CG2-CE2 3.77Å; I923-Y927 WeakPolarHBondContact O-CD2 3.44Å; I923-Y927 PolarHBondContact O-N 2.84Å; I923-Y927 VanDerWaalsContact O-N 3.14Å; I924-Y927 PolarHBondContact O-N 3.02Å; I924-Y927 VanDerWaalsContact O-N 3.07Å; Y927-K930 PolarHBondContact O-N 3.02Å; Y927-Y931 PolarHBondContact O-N 3.25Å
928	E	50	Low	51.1	Low	114 Å²	114	99.3 Å²	99.3	53%	0.533	48%	0.478	S	S	.	.	H	α-helix	trans	-62.2	-49.8	176.8	-71.4	-172.9	160.7	0	0	111.7	I924 K930 Y931 L932	I924-E928 HydrophobicContact CG2-CG 4.34Å; I924-E928 PolarHBondContact O-N 3.24Å; E928-K930 VanDerWaalsContact C-N 3.28Å; E928-K930 PolarHBondContact O-N 3.12Å; E928-Y931 PolarHBondContact O-N 3.2Å; E928-Y931 VanDerWaalsContact O-N 3.14Å; E928-L932 WeakPolarHBondContact O-CG 3.29Å; E928-L932 PolarHBondContact O-N 3.03Å
929	R	52.2	Low	50.1	Low	184 Å²	184	99.5 Å²	99.5	69%	0.694	48%	0.478	S	S	*	.	H	α-helix	trans	-55	-44.1	173.8	-71.7	178	-172.2	-158.9	3.3	111.6	N925 Y931 L932 S933	N925-R929 VanDerWaalsContact O-CG 3.3Å; N925-R929 WeakPolarHBondContact O-CG 3.38Å; N925-R929 PolarHBondContact O-N 2.58Å; R929-Y931 VanDerWaalsContact C-N 3.33Å; R929-Y931 PolarHBondContact O-N 3.09Å; R929-L932 PolarHBondContact O-N 2.81Å; R929-S933 PolarHBondContact O-N 3.41Å; R929-S933 PolarHBondContact O-OG 2.97Å; R929-S933 VanDerWaalsContact O-OG 3.07Å
930	K	47.6	Very low	49.5	Very low	117 Å²	117	101.1 Å²	101.1	51%	0.509	48%	0.484	S	S	.	.	H	α-helix	trans	-69	-26.8	-179.2	-166.1	170.3	-171.8	168.8	0	113.8	H926 Y927 E928 K934	H926-K930 VanDerWaalsContact O-CB 3.31Å; H926-K930 WeakPolarHBondContact O-CB 3.44Å; H926-K930 PolarHBondContact O-N 3.42Å; H926-K930 VanDerWaalsContact O-N 3.12Å; Y927-K930 PolarHBondContact O-N 3.02Å; E928-K930 VanDerWaalsContact C-N 3.28Å; E928-K930 PolarHBondContact O-N 3.12Å; K930-K934 PolarHBondContact O-N 3.32Å
931	Y	45.4	Very low	48.8	Very low	149 Å²	149	105.5 Å²	105.5	58%	0.584	51%	0.507	S	S	*	.	H	α-helix	trans	-76.8	-44.2	170.8	-112	-87.7	0	0	0	111.7	Y927 E928 R929 K934 L935	Y927-Y931 PolarHBondContact O-N 3.25Å; E928-Y931 PolarHBondContact O-N 3.2Å; E928-Y931 VanDerWaalsContact O-N 3.14Å; R929-Y931 VanDerWaalsContact C-N 3.33Å; R929-Y931 PolarHBondContact O-N 3.09Å; Y931-K934 WeakPolarHBondContact O-CB 3.34Å; Y931-K934 PolarHBondContact O-N 2.76Å; Y931-L935 PolarHBondContact O-N 2.97Å
932	L	44.7	Very low	47.8	Very low	110 Å²	110	104.4 Å²	104.4	58%	0.576	51%	0.508	S	S	*	.	H	α-helix	trans	-58.5	-49.1	175.3	-71.3	163.9	0	0	0	111.4	E928 R929 K934 L935 Q936	E928-L932 WeakPolarHBondContact O-CG 3.29Å; E928-L932 PolarHBondContact O-N 3.03Å; R929-L932 PolarHBondContact O-N 2.81Å; L932-K934 PolarHBondContact O-N 3.38Å; L932-K934 VanDerWaalsContact O-N 3.13Å; L932-L935 PolarHBondContact O-N 3.46Å; L932-L935 VanDerWaalsContact O-N 3.15Å; L932-Q936 WeakPolarHBondContact O-CB 3.39Å; L932-Q936 PolarHBondContact O-N 3.02Å
933	S	46	Very low	47	Very low	69 Å²	69	103.8 Å²	103.8	48%	0.483	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-14.7	175.5	-55.4	0	0	0	0	114.5	R929 K937	R929-S933 PolarHBondContact O-N 3.41Å; R929-S933 PolarHBondContact O-OG 2.97Å; R929-S933 VanDerWaalsContact O-OG 3.07Å; S933-K937 WeakPolarHBondContact O-CG 3.35Å
934	K	47.6	Very low	46.2	Very low	144 Å²	144	105.5 Å²	105.5	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-87.1	-42.4	170.5	-88.1	-170.3	170.2	-165.5	0	112	K930 Y931 L932 K937 V938	K930-K934 PolarHBondContact O-N 3.32Å; Y931-K934 WeakPolarHBondContact O-CB 3.34Å; Y931-K934 PolarHBondContact O-N 2.76Å; L932-K934 PolarHBondContact O-N 3.38Å; L932-K934 VanDerWaalsContact O-N 3.13Å; K934-K937 PolarHBondContact O-N 3.24Å; K934-V938 WeakPolarHBondContact O-CG2 3.29Å; K934-V938 PolarHBondContact O-N 3.43Å
935	L	43.9	Very low	45.6	Very low	97 Å²	97	107.9 Å²	107.9	51%	0.508	53%	0.53	S	S	.	.	H	α-helix	trans	-62.2	-48.8	176.8	-73.7	165.1	0	0	0	110.8	Y931 L932 K937 V938 E939	Y931-L935 PolarHBondContact O-N 2.97Å; L932-L935 PolarHBondContact O-N 3.46Å; L932-L935 VanDerWaalsContact O-N 3.15Å; L935-K937 VanDerWaalsContact C-N 3.28Å; L935-K937 PolarHBondContact O-N 3.25Å; L935-V938 WeakPolarHBondContact O-CA 3.35Å; L935-V938 WeakPolarHBondContact O-CB 3.32Å; L935-V938 PolarHBondContact O-N 3.44Å; L935-E939 PolarHBondContact O-N 2.99Å
936	Q	45.6	Very low	44.8	Very low	114 Å²	114	108.3 Å²	108.3	53%	0.533	53%	0.533	S	S	.	.	H	α-helix	trans	-58.2	-40	178.4	-163	168.5	11.3	0	0	111.9	L932 V938 E939 E940	L932-Q936 WeakPolarHBondContact O-CB 3.39Å; L932-Q936 PolarHBondContact O-N 3.02Å; Q936-V938 VanDerWaalsContact C-N 3.32Å; Q936-V938 PolarHBondContact O-N 3.07Å; Q936-E939 PolarHBondContact O-N 3.36Å; Q936-E940 WeakPolarHBondContact O-CB 3.43Å; Q936-E940 VanDerWaalsContact O-CG 3.32Å; Q936-E940 WeakPolarHBondContact O-CG 3.42Å; Q936-E940 PolarHBondContact O-N 3.47Å
937	K	48.5	Very low	44.1	Very low	118 Å²	118	109.6 Å²	109.6	51%	0.513	54%	0.539	S	S	.	.	H	α-helix	trans	-75.8	-11.9	174.4	-71.9	-170	174.3	-161.5	0	114.8	S933 K934 L935 N941	S933-K937 WeakPolarHBondContact O-CG 3.35Å; K934-K937 PolarHBondContact O-N 3.24Å; L935-K937 VanDerWaalsContact C-N 3.28Å; L935-K937 PolarHBondContact O-N 3.25Å; K937-N941 PolarHBondContact O-ND2 2.81Å
938	V	48	Very low	43.6	Very low	87 Å²	87	111.8 Å²	111.8	53%	0.527	55%	0.552	S	S	.	*	H	α-helix	trans	-85.7	-41.8	167.4	169.2	0	0	0	0	109.5	K934 L935 Q936 N941 C942	K934-V938 WeakPolarHBondContact O-CG2 3.29Å; K934-V938 PolarHBondContact O-N 3.43Å; L935-V938 WeakPolarHBondContact O-CA 3.35Å; L935-V938 WeakPolarHBondContact O-CB 3.32Å; L935-V938 PolarHBondContact O-N 3.44Å; Q936-V938 VanDerWaalsContact C-N 3.32Å; Q936-V938 PolarHBondContact O-N 3.07Å; V938-N941 PolarHBondContact O-N 2.84Å; V938-C942 WeakPolarHBondContact O-CB 3.46Å; V938-C942 PolarHBondContact O-N 3.12Å; V938-C942 PolarHBondContact O-SG 2.88Å; V938-C942 VanDerWaalsContact O-SG 3.39Å
939	E	41.5	Very low	42.9	Very low	132 Å²	132	110.4 Å²	110.4	62%	0.617	55%	0.549	S	S	*	.	H	α-helix	trans	-61.6	-45.9	176.2	-68.5	175.6	150.4	0	0	111.9	L935 Q936 N941 C942 S943	L935-E939 PolarHBondContact O-N 2.99Å; Q936-E939 PolarHBondContact O-N 3.36Å; E939-N941 VanDerWaalsContact C-N 3.33Å; E939-N941 PolarHBondContact O-N 3.1Å; E939-C942 PolarHBondContact O-N 3.01Å; E939-S943 PolarHBondContact O-N 3.48Å; E939-S943 PolarHBondContact O-OG 2.89Å
940	E	43.5	Very low	42.1	Very low	102 Å²	102	107.5 Å²	107.5	48%	0.477	55%	0.547	S	S	.	.	H	α-helix	trans	-58.3	-40.5	174	-73.5	169.6	164.9	0	0	112.7	Q936 N944	Q936-E940 WeakPolarHBondContact O-CB 3.43Å; Q936-E940 VanDerWaalsContact O-CG 3.32Å; Q936-E940 WeakPolarHBondContact O-CG 3.42Å; Q936-E940 PolarHBondContact O-N 3.47Å; E940-N944 PolarHBondContact O-N 2.73Å; E940-N944 PolarHBondContact O-ND2 2.94Å
941	N	43.1	Very low	41.7	Very low	104 Å²	104	109.7 Å²	109.7	56%	0.556	56%	0.557	S	S	*	*	H	α-helix	trans	-74.4	-36	178.2	-81.4	-56.3	0	0	0	112.5	K937 V938 E939 N944 V945	K937-N941 PolarHBondContact O-ND2 2.81Å; V938-N941 PolarHBondContact O-N 2.84Å; E939-N941 VanDerWaalsContact C-N 3.33Å; E939-N941 PolarHBondContact O-N 3.1Å; N941-N944 PolarHBondContact O-N 3.36Å; N941-V945 WeakPolarHBondContact O-CG2 3.46Å; N941-V945 PolarHBondContact O-N 3.22Å
942	C	36.4	Very low	41.2	Very low	71 Å²	71	110.7 Å²	110.7	48%	0.48	57%	0.566	S	S	.	*	H	α-helix	trans	-67	-35.3	173.4	-73.4	0	0	0	0	112.3	V938 E939 N946	V938-C942 WeakPolarHBondContact O-CB 3.46Å; V938-C942 PolarHBondContact O-N 3.12Å; V938-C942 PolarHBondContact O-SG 2.88Å; V938-C942 VanDerWaalsContact O-SG 3.39Å; E939-C942 PolarHBondContact O-N 3.01Å; C942-N946 PolarHBondContact O-N 2.98Å; C942-N946 PolarHBondContact O-ND2 2.75Å; C942-N946 VanDerWaalsContact O-ND2 3.11Å
943	S	40	Very low	40.7	Very low	76 Å²	76	112 Å²	112	53%	0.531	57%	0.573	S	S	.	*	H	α-helix	trans	-63.6	-46.5	172.6	-76.8	0	0	0	0	112.3	E939 V945 N946 E947	E939-S943 PolarHBondContact O-N 3.48Å; E939-S943 PolarHBondContact O-OG 2.89Å; S943-V945 VanDerWaalsContact C-N 3.31Å; S943-V945 PolarHBondContact O-N 3.11Å; S943-N946 PolarHBondContact O-N 3.12Å; S943-N946 VanDerWaalsContact O-N 3.16Å; S943-E947 PolarHBondContact O-N 3.28Å
944	N	39.2	Very low	40.1	Very low	100 Å²	100	115.7 Å²	115.7	54%	0.535	59%	0.587	S	S	.	*	H	α-helix	trans	-64	-30.9	-179.2	-76.9	-28.1	0	0	0	113.9	E940 N941	E940-N944 PolarHBondContact O-N 2.73Å; E940-N944 PolarHBondContact O-ND2 2.94Å; N941-N944 PolarHBondContact O-N 3.36Å
945	V	40.8	Very low	39.5	Very low	84 Å²	84	115.9 Å²	115.9	51%	0.509	60%	0.595	S	S	.	*	H	α-helix	trans	-70.1	-37.2	174.9	172	0	0	0	0	111.6	N941 S943 H948 N949	N941-V945 WeakPolarHBondContact O-CG2 3.46Å; N941-V945 PolarHBondContact O-N 3.22Å; S943-V945 VanDerWaalsContact C-N 3.31Å; S943-V945 PolarHBondContact O-N 3.11Å; V945-H948 PolarHBondContact O-N 2.85Å; V945-N949 PolarHBondContact O-N 3.22Å
946	N	37.4	Very low	38.9	Very low	92 Å²	92	121 Å²	121	49%	0.492	62%	0.616	S	S	.	*	H	α-helix	trans	-70.7	-30.7	-179.5	-69.9	-32.6	0	0	0	113	C942 S943 H948 N950	C942-N946 PolarHBondContact O-N 2.98Å; C942-N946 PolarHBondContact O-ND2 2.75Å; C942-N946 VanDerWaalsContact O-ND2 3.11Å; S943-N946 PolarHBondContact O-N 3.12Å; S943-N946 VanDerWaalsContact O-N 3.16Å; N946-H948 VanDerWaalsContact C-N 3.35Å; N946-N950 WeakPolarHBondContact O-CB 3.47Å; N946-N950 PolarHBondContact O-N 2.78Å; N946-N950 VanDerWaalsContact O-N 3.16Å; N946-N950 PolarHBondContact O-ND2 3.28Å
947	E	37	Very low	38.2	Very low	130 Å²	130	118.8 Å²	118.8	61%	0.607	62%	0.624	S	S	*	*	H	α-helix	trans	-75	-18.3	176.6	-68.3	-156.2	147.3	0	0	114.8	S943	S943-E947 PolarHBondContact O-N 3.28Å
948	H	36.9	Very low	37.4	Very low	153 Å²	153	120.4 Å²	120.4	71%	0.708	64%	0.639	S	S	*	*	H	α-helix	trans	-86.8	-40.6	171.9	-96.3	62.6	0	0	0	112.5	V945 N946 N950 K951	V945-H948 PolarHBondContact O-N 2.85Å; N946-H948 VanDerWaalsContact C-N 3.35Å; H948-N950 VanDerWaalsContact C-N 3.35Å; H948-N950 PolarHBondContact O-N 3.02Å; H948-K951 PolarHBondContact O-N 2.91Å
949	N	35.3	Very low	36.7	Very low	85 Å²	85	121.3 Å²	121.3	46%	0.455	64%	0.637	S	S	.	*	H	α-helix	trans	-67	-36	177.8	-70.1	-12	0	0	0	112.2	V945 K951 Q952	V945-N949 PolarHBondContact O-N 3.22Å; N949-K951 PolarHBondContact O-N 3.41Å; N949-Q952 PolarHBondContact O-N 2.92Å
950	N	34.9	Very low	36.2	Very low	123 Å²	123	121.3 Å²	121.3	66%	0.658	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	17.1	177.9	-69.1	-13.2	0	0	0	114.7	N946 H948	N946-N950 WeakPolarHBondContact O-CB 3.47Å; N946-N950 PolarHBondContact O-N 2.78Å; N946-N950 VanDerWaalsContact O-N 3.16Å; N946-N950 PolarHBondContact O-ND2 3.28Å; H948-N950 VanDerWaalsContact C-N 3.35Å; H948-N950 PolarHBondContact O-N 3.02Å
951	K	39	Very low	35.6	Very low	164 Å²	164	123.1 Å²	123.1	71%	0.713	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	11.7	174.2	-73.1	177.7	179.4	162.7	0	113.9	H948 N949	H948-K951 PolarHBondContact O-N 2.91Å; N949-K951 PolarHBondContact O-N 3.41Å
952	Q	35.8	Very low	35.2	Very low	169 Å²	169	126.4 Å²	126.4	79%	0.79	67%	0.667	S	S	*	*	S	Bend	trans	-129.3	3.5	176.9	-73	-168.9	-36.9	0	0	114.7	N949	N949-Q952 PolarHBondContact O-N 2.92Å
953	I	34	Very low	35.3	Very low	138 Å²	138	134.6 Å²	134.6	71%	0.708	71%	0.706	S	S	*	*			trans	-115.9	39.6	-176.6	-40.5	177.1	0	0	0	110.8
954	D	33.9	Very low	35	Very low	147 Å²	147	137.5 Å²	137.5	79%	0.786	72%	0.715	S	S	*	*	S	Bend	trans	-109.2	15.6	176.8	-96.8	-32.3	0	0	0	112.4
955	N	33.8	Very low	34.8	Very low	147 Å²	147	139.5 Å²	139.5	79%	0.786	73%	0.725	S	S	*	*	S	Bend	trans	-139.4	142.2	179.2	-83.7	-75.6	0	0	0	111.8
956	Q	33	Very low	34.5	Very low	204 Å²	204	142.6 Å²	142.6	95%	0.953	74%	0.737	S	S	*	*			trans	70.1	104.5	176.8	-56.1	-177.4	-7.9	0	0	115.5
957	G	30.5	Very low	34.3	Very low	69 Å²	69	145.5 Å²	145.5	71%	0.711	75%	0.751	S	S	*	*			trans	-116.7	-176.4	165.3	0	0	0	0	0	112.2
958	D	32	Very low	34.1	Very low	152 Å²	152	146.5 Å²	146.5	81%	0.813	76%	0.76	S	S	*	*			trans	54.3	109.7	166.6	-58.6	-17.6	0	0	0	119.1
959	H	33.4	Very low	33.9	Very low	105 Å²	105	146.1 Å²	146.1	49%	0.486	76%	0.763	S	S	.	*				-172.9	115.8	102.6	-103.2	-78.6	0	0	0	114.5
960	L	31.2	Very low	33.8	Very low	133 Å²	133	150.4 Å²	150.4	70%	0.696	79%	0.785	S	S	*	*			trans	53.8	124.5	137.9	-63.6	176.4	0	0	0	124.7
961	N	31.1	Very low	33.8	Very low	140 Å²	140	152.5 Å²	152.5	75%	0.749	80%	0.795	S	S	*	*			trans	72.2	123.1	130.8	-81.6	-0.2	0	0	0	124.4
962	M	34.3	Very low	33.3	Very low	172 Å²	172	151.6 Å²	151.6	85%	0.847	80%	0.802	S	S	*	*			trans	51.4	93.3	130.1	-65.1	-64.2	-140.7	0	0	119.4
963	N	37.1	Very low	33.1	Very low	243 Å²	243	150 Å²	150	100%	1.299	80%	0.803	S	S	*	*				-145.3	0	114.1	-107.5	-17.4	0	0	0	109.2

Retrieved 963 of 963 residues in 1091.8 ms (Link to these results)

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