A0A3Q0KTB8_SCHMA Loading...

Putative sumo ligase

AlphaFold DB , UniProt , Accession A0A3Q0KTB8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,238 aa.

						>A0A3Q0KTB8_SCHMA|A0A3Q0KTB8
MRQTRDHLELKAFIQRCRRADLDKLIKLTNLPRGGLKQDIQLRLISYLDQDPSTEFLSALNELRGLMYNPVNFQFQQSNGNFDPHCPSSDIPASLMYLRDSTIRCPTESSKNSGGPNSCLTGTKISCSLQKEQLNHNPYVVQPNINVFGQSSPDELDSTKNRQQKSQQTDSSDQLPQSPLFPGNPVINPSVWSSWESVKKLLPENRVTISQSCTSGKSQNLSSFNPHSQTNVASSLPILSNSAMSDGHSKINVHSECPQSSIHTHSTDSRKATVTHKIGQLITLAGVDGSFRLPAVLPGFHFKESPFFKLIDVLLPPQIILPAHIGFATGRRSYDRSLALRFTSDQVETITYHCWRGADERMEFGVQVIMRFARLDPQACQDLVQAYELYGSRKSSSLSSDKLIQIPLAEDSLPVHLIIQVNGRPIQLPPLLPSNRPGMDGRRNPRPINITQSLHVSPTVPNYIKLTWTHDYSSYTYNVVGIYLMRRRSPQQLCGLLHSTSFQNANVMKMEIMKKLSPNATTGNIGSVNSQSQSSACNENDDDDDDLVMPNTLPVQLLCPLSKCRIEVPVRGRNCRHVQCYDATTYLIINERKPTWNCPVCDGKAVYEDLIVDGLFLEILNSKRSQDLEEIIFHSDGSWSALGEEMTSNQSENTNCNNDNNADNSNSKIPSELSPCTDYNQLYSLQESPYASSHITSNSIRSTTDSAGSSSFVPSFNTLSPASSINSLSNTNNSYPNTLSMSPALTVRAVTTTPLIRNDVDNISVPNTTKTTSTTSTTSTNYQTSVTVQSSRDKEQNQHISQEISSFTIDLTLSDDENEQQGISSRETASSIQVPTKDNNSSSRPVNTVTSHSSSSSSSSSLSPQFPPSDLSQSSHYSESNYQPPFSLHTSNRPSSITLSSASYSKSCNQSISIPPVYSSESNSTQSVSVSQNLVVPNVSVINASSNQRRYPPVSSEQKQVQGPATNIPCSVTQSDVPVSLPSIVTSATCGGKRPSSSDYNFSSLNFYQSGTQSVSNNNGSRCSSTVQTTSISNESSQYSYPTAKVPRIEIPHSQHYGSSSTQSQGSYSNNNSSGYNSSRRYTNSPSGSNPYTYHSNITRQMPSDGYHSNRLTSSTFHSGQSSDHFYHNEHTPNASSRYSYYNPNESGNNNINNANRTYCYYPSSRHASYPTSDSGTIYPHNRQLSSHIRGPYETHHRNVMNNTLPRDPLHHNSQMRSSDMTNSTYCGNSVDSRRGFH
					

Structure Viewer

Loading PAE data...

(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	36.6	Very low	68.1	Low	204 Å²	204	113.9 Å²	113.9	100%	1.005	53%	0.528	S	S	*	.				0	-77.3	0	-80.4	-60.6	-163.1	0	0	112.3	T4	M1-T4 VanDerWaalsContact CA-OG1 3.28Å; M1-T4 WeakPolarHBondContact CA-OG1 3.48Å; M1-T4 PolarHBondContact N-OG1 2.93Å; M1-T4 PolarHBondContact O-OG1 2.78Å
2	R	36.7	Very low	70	Confident	223 Å²	223	106.3 Å²	106.3	84%	0.842	50%	0.499	S	S	*	.			trans	-68.1	-65.6	178.9	-72.6	-170	179.9	-168.9	1.1	112.7	T4 R5 D6	R2-T4 PolarHBondContact O-N 3.42Å; R2-R5 WeakPolarHBondContact O-CB 3.47Å; R2-R5 PolarHBondContact O-N 3.37Å; R2-D6 PolarHBondContact O-N 2.86Å; R2-D6 VanDerWaalsContact O-OD2 3.13Å
3	Q	52.4	Low	71.7	Confident	171 Å²	171	98.2 Å²	98.2	80%	0.799	46%	0.461	S	S	*	.	H	α-helix	trans	-39.7	-47.1	175.1	-100.9	171.4	-26.2	0	0	114.3	R5 D6 H7	Q3-R5 VanDerWaalsContact C-N 3.25Å; Q3-R5 PolarHBondContact O-N 2.79Å; Q3-D6 PolarHBondContact O-N 3.04Å; Q3-H7 WeakPolarHBondContact O-CB 3.29Å; Q3-H7 PolarHBondContact O-N 2.76Å
4	T	56.2	Low	73.2	Confident	99 Å²	99	91.1 Å²	91.1	61%	0.607	43%	0.428	S	S	*	.	H	α-helix	trans	-64.3	-21.8	-179.5	41.7	0	0	0	0	114.8	M1 R2	M1-T4 VanDerWaalsContact CA-OG1 3.28Å; M1-T4 WeakPolarHBondContact CA-OG1 3.48Å; M1-T4 PolarHBondContact N-OG1 2.93Å; M1-T4 PolarHBondContact O-OG1 2.78Å; R2-T4 PolarHBondContact O-N 3.42Å
5	R	56.4	Low	74.5	Confident	174 Å²	174	93 Å²	93	66%	0.657	44%	0.437	S	S	*	.	H	α-helix	trans	-86.6	-46.9	177.1	-178.3	175.9	176.8	145.6	-0.8	111.2	R2 Q3 H7 L8 E9	R2-R5 WeakPolarHBondContact O-CB 3.47Å; R2-R5 PolarHBondContact O-N 3.37Å; Q3-R5 VanDerWaalsContact C-N 3.25Å; Q3-R5 PolarHBondContact O-N 2.79Å; R5-H7 VanDerWaalsContact C-N 3.26Å; R5-H7 PolarHBondContact O-N 2.77Å; R5-L8 PolarHBondContact O-N 3.31Å; R5-E9 IonicContact NE-OE1 3.47Å; R5-E9 PolarHBondContact O-N 3.06Å
6	D	76	Confident	75.5	Confident	78 Å²	78	96.1 Å²	96.1	42%	0.417	44%	0.443	S	S	.	.	H	α-helix	trans	-60.1	-40.4	-179.2	-52.4	-48.8	0	0	0	110.8	R2 Q3 L8 E9 L10	R2-D6 PolarHBondContact O-N 2.86Å; R2-D6 VanDerWaalsContact O-OD2 3.13Å; Q3-D6 PolarHBondContact O-N 3.04Å; D6-L8 PolarHBondContact O-N 3.37Å; D6-E9 PolarHBondContact O-N 3.43Å; D6-L10 WeakPolarHBondContact O-CG 3.34Å; D6-L10 PolarHBondContact O-N 2.83Å
7	H	82.2	Confident	76.4	Confident	52 Å²	52	90.5 Å²	90.5	24%	0.241	42%	0.417	C	S	.	.	H	α-helix	trans	-57.5	-43	176.6	-152.8	-83.6	0	0	0	113.1	Q3 R5 L10 K11 L48 D49	Q3-H7 WeakPolarHBondContact O-CB 3.29Å; Q3-H7 PolarHBondContact O-N 2.76Å; R5-H7 VanDerWaalsContact C-N 3.26Å; R5-H7 PolarHBondContact O-N 2.77Å; H7-L10 PolarHBondContact O-N 3.48Å; H7-K11 WeakPolarHBondContact CE1-CE 3.14Å; H7-K11 WeakPolarHBondContact ND1-CE 3.32Å; H7-K11 WeakPolarHBondContact O-CG 3.34Å; H7-K11 PolarHBondContact O-N 2.86Å; H7-L48 PolarHBondContact CE1-O 3.36Å; H7-L48 PolarHBondContact NE2-O 3.42Å; H7-D49 IonicContact CE1-OD1 2.76Å; H7-D49 PolarHBondContact CE1-OD1 2.79Å; H7-D49 IonicContact ND1-OD1 2.95Å
8	L	83.8	Confident	77.2	Confident	123 Å²	123	96.1 Å²	96.1	64%	0.644	43%	0.434	S	S	*	.	H	α-helix	trans	-67.4	-38	179.2	-174.1	64.5	0	0	0	112	R5 D6 K11 A12	R5-L8 PolarHBondContact O-N 3.31Å; D6-L8 PolarHBondContact O-N 3.37Å; L8-K11 PolarHBondContact O-N 3.38Å; L8-A12 WeakPolarHBondContact O-CB 2.95Å; L8-A12 PolarHBondContact O-N 2.76Å; L8-A12 VanDerWaalsContact O-N 3.09Å
9	E	85.8	Confident	78	Confident	69 Å²	69	95.4 Å²	95.4	32%	0.322	43%	0.427	S	S	.	.	H	α-helix	trans	-66.7	-37.4	174.8	-65.7	-178.3	-172.5	0	0	111.5	R5 D6 A12 F13 R64	R5-E9 IonicContact NE-OE1 3.47Å; R5-E9 PolarHBondContact O-N 3.06Å; D6-E9 PolarHBondContact O-N 3.43Å; E9-A12 PolarHBondContact O-N 3.15Å; E9-F13 WeakPolarHBondContact O-CB 3.3Å; E9-F13 PolarHBondContact O-N 2.93Å; E9-R64 IonicContact OE2-CZ 2.89Å; E9-R64 IonicContact OE2-NH1 3.22Å; E9-R64 IonicContact OE2-NH2 2.66Å; E9-R64 PolarHBondContact OE2-NH2 3.07Å
10	L	90.3	Very high	78.6	Confident	13 Å²	13	93.8 Å²	93.8	7%	0.068	43%	0.432	C	S	.	.	H	α-helix	trans	-67.8	-40.7	174.6	-68.6	172.3	0	0	0	112.8	D6 H7 A12 F13 I14 L48 L60	D6-L10 WeakPolarHBondContact O-CG 3.34Å; D6-L10 PolarHBondContact O-N 2.83Å; H7-L10 PolarHBondContact O-N 3.48Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-A12 PolarHBondContact O-N 2.76Å; L10-F13 WeakPolarHBondContact O-CB 3.38Å; L10-F13 PolarHBondContact O-N 2.95Å; L10-F13 VanDerWaalsContact O-N 3.15Å; L10-I14 WeakPolarHBondContact O-CG1 3.28Å; L10-I14 PolarHBondContact O-N 2.85Å; L10-L48 HydrophobicContact CB-CD2 3.81Å; L10-L48 HydrophobicContact CD1-CD1 4.47Å; L10-L60 HydrophobicContact CB-CD2 4.19Å; L10-L60 HydrophobicContact CD1-CD2 4.43Å; L10-L60 HydrophobicContact CD2-CD2 3.92Å; L10-L60 HydrophobicContact CD2-CG 4.04Å; L10-L60 HydrophobicContact CG-CD2 4.41Å
11	K	93.2	Very high	79.3	Confident	47 Å²	47	90.4 Å²	90.4	20%	0.204	42%	0.418	C	S	.	.	H	α-helix	trans	-59.4	-45.7	171.6	-67.3	-173.7	-166.6	-162.7	0	111.6	H7 L8 F13 I14 Q15 I45 L48 D49	H7-K11 WeakPolarHBondContact CE1-CE 3.14Å; H7-K11 WeakPolarHBondContact ND1-CE 3.32Å; H7-K11 WeakPolarHBondContact O-CG 3.34Å; H7-K11 PolarHBondContact O-N 2.86Å; L8-K11 PolarHBondContact O-N 3.38Å; K11-F13 PolarHBondContact O-N 3.01Å; K11-I14 PolarHBondContact O-N 3.25Å; K11-Q15 WeakPolarHBondContact O-CG 3.39Å; K11-Q15 PolarHBondContact O-N 3.08Å; K11-Q15 VanDerWaalsContact O-N 3.16Å; K11-I45 HydrophobicContact CB-CG1 4.42Å; K11-I45 HydrophobicContact CD-CG2 3.9Å; K11-I45 HydrophobicContact CG-CG1 4.42Å; K11-I45 HydrophobicContact CG-CG2 4.08Å; K11-L48 HydrophobicContact CG-CD2 3.84Å; K11-D49 WeakPolarHBondContact CE-OD1 3.49Å; K11-D49 IonicContact NZ-OD1 3.22Å; K11-D49 PolarHBondContact NZ-OD1 3.13Å; K11-D49 IonicContact NZ-OD2 3.53Å; K11-D49 PolarHBondContact NZ-OD2 2.78Å
12	A	89.9	Confident	82	Confident	22 Å²	22	80.7 Å²	80.7	18%	0.182	37%	0.37	C	S	.	.	H	α-helix	trans	-65.8	-26.6	176.8	0	0	0	0	0	112.8	L8 E9 L10 R16	L8-A12 WeakPolarHBondContact O-CB 2.95Å; L8-A12 PolarHBondContact O-N 2.76Å; L8-A12 VanDerWaalsContact O-N 3.09Å; E9-A12 PolarHBondContact O-N 3.15Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-A12 PolarHBondContact O-N 2.76Å; A12-R16 WeakPolarHBondContact O-CD 3.31Å; A12-R16 WeakPolarHBondContact O-CG 3.3Å; A12-R16 PolarHBondContact O-NE 3.1Å
13	F	92.6	Very high	84.6	Confident	1 Å²	1	72.2 Å²	72.2	0%	0.004	34%	0.341	C	S	.	.	H	α-helix	trans	-71.7	-49.1	172.1	-179.2	-112.3	0	0	0	112	E9 L10 K11 Q15 R16 C17 L60 L63 R64 M67 Y68	E9-F13 WeakPolarHBondContact O-CB 3.3Å; E9-F13 PolarHBondContact O-N 2.93Å; L10-F13 WeakPolarHBondContact O-CB 3.38Å; L10-F13 PolarHBondContact O-N 2.95Å; L10-F13 VanDerWaalsContact O-N 3.15Å; K11-F13 PolarHBondContact O-N 3.01Å; F13-Q15 PolarHBondContact O-N 3.15Å; F13-R16 WeakPolarHBondContact O-CA 3.29Å; F13-R16 WeakPolarHBondContact O-CB 3.3Å; F13-R16 PolarHBondContact O-N 2.98Å; F13-C17 VanDerWaalsContact CE1-SG 3.52Å; F13-C17 PolarHBondContact O-N 3.01Å; F13-C17 VanDerWaalsContact O-N 3.1Å; F13-C17 PolarHBondContact O-SG 2.88Å; F13-L60 HydrophobicContact CD1-CD1 3.84Å; F13-L60 HydrophobicContact CD1-CG 4.46Å; F13-L60 HydrophobicContact CE1-CD1 4.07Å; F13-L63 HydrophobicContact CE1-CB 3.91Å; F13-L63 VanDerWaalsContact CZ-C 3.41Å; F13-L63 HydrophobicContact CZ-CB 3.99Å; F13-L63 WeakPolarHBondContact CZ-O 3.26Å; F13-R64 HydrophobicContact CD1-CB 4.15Å; F13-R64 HydrophobicContact CD2-CB 4.43Å; F13-R64 HydrophobicContact CD2-CG 4.4Å; F13-R64 HydrophobicContact CE1-CB 4.04Å; F13-R64 HydrophobicContact CE2-CB 4.34Å; F13-R64 HydrophobicContact CG-CB 4.36Å; F13-R64 HydrophobicContact CG-CG 4.45Å; F13-R64 VanDerWaalsContact CZ-CA 3.49Å; F13-R64 HydrophobicContact CZ-CB 4.17Å; F13-M67 HydrophobicContact CE2-CB 3.86Å; F13-M67 HydrophobicContact CE2-CE 4.33Å; F13-M67 HydrophobicContact CE2-CG 4.07Å; F13-M67 HydrophobicContact CE2-SD 3.53Å; F13-M67 VanDerWaalsContact CE2-SD 3.53Å; F13-M67 HydrophobicContact CZ-CB 4.43Å; F13-M67 HydrophobicContact CZ-CG 4.35Å; F13-M67 HydrophobicContact CZ-SD 3.9Å; F13-Y68 HydrophobicContact CD2-CE2 4.2Å
14	I	93.2	Very high	86.5	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-54.8	-39.1	176.5	-66.4	164.7	0	0	0	111.2	L10 K11 R16 L22 Q41 L44 I45 L60	L10-I14 WeakPolarHBondContact O-CG1 3.28Å; L10-I14 PolarHBondContact O-N 2.85Å; K11-I14 PolarHBondContact O-N 3.25Å; I14-R16 PolarHBondContact O-N 3.14Å; I14-L22 HydrophobicContact CG2-CD2 4.02Å; I14-Q41 HydrophobicContact CG2-CB 4.16Å; I14-Q41 HydrophobicContact CG2-CG 4.3Å; I14-Q41 PolarHBondContact O-NE2 2.95Å; I14-L44 HydrophobicContact CD1-CB 4.14Å; I14-L44 HydrophobicContact CG2-CB 3.94Å; I14-I45 HydrophobicContact CB-CG1 4.21Å; I14-I45 HydrophobicContact CD1-CG1 4.26Å; I14-I45 HydrophobicContact CG2-CD1 4.37Å; I14-I45 HydrophobicContact CG2-CG1 3.97Å; I14-L60 HydrophobicContact CD1-CD1 4.38Å; I14-L60 HydrophobicContact CD1-CD2 4.13Å; I14-L60 HydrophobicContact CG1-CD1 3.83Å; I14-L60 HydrophobicContact CG1-CD2 4.4Å
15	Q	92.1	Very high	88.3	Confident	119 Å²	119	65 Å²	65	56%	0.556	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.3	175	-71.3	176.5	-8.8	0	0	114	K11 F13 Q41 I45	K11-Q15 WeakPolarHBondContact O-CG 3.39Å; K11-Q15 PolarHBondContact O-N 3.08Å; K11-Q15 VanDerWaalsContact O-N 3.16Å; F13-Q15 PolarHBondContact O-N 3.15Å; Q15-Q41 VanDerWaalsContact CA-NE2 3.31Å; Q15-Q41 PolarHBondContact O-NE2 2.79Å; Q15-I45 HydrophobicContact CG-CD1 3.91Å
16	R	89.9	Confident	90	Very high	143 Å²	143	56.7 Å²	56.7	54%	0.54	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-26.6	-178.4	-65.4	168.8	-170.7	140.4	8.2	114.3	A12 F13 I14 Y68	A12-R16 WeakPolarHBondContact O-CD 3.31Å; A12-R16 WeakPolarHBondContact O-CG 3.3Å; A12-R16 PolarHBondContact O-NE 3.1Å; F13-R16 WeakPolarHBondContact O-CA 3.29Å; F13-R16 WeakPolarHBondContact O-CB 3.3Å; F13-R16 PolarHBondContact O-N 2.98Å; I14-R16 PolarHBondContact O-N 3.14Å; R16-Y68 PolarHBondContact NH1-OH 3.23Å
17	C	90.9	Very high	90.8	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.274	C	S	.	.			trans	-47.8	150.1	-179.6	-63.6	0	0	0	0	113.7	F13 D21 L22 K37	F13-C17 VanDerWaalsContact CE1-SG 3.52Å; F13-C17 PolarHBondContact O-N 3.01Å; F13-C17 VanDerWaalsContact O-N 3.1Å; F13-C17 PolarHBondContact O-SG 2.88Å; C17-D21 HydrophobicContact CB-CB 4.25Å; C17-L22 HydrophobicContact CB-CD1 4.44Å; C17-L22 HydrophobicContact CB-CD2 3.84Å; C17-L22 HydrophobicContact CB-CG 3.81Å; C17-K37 WeakPolarHBondContact O-CE 3.49Å; C17-K37 PolarHBondContact O-NZ 2.77Å
18	R	92	Very high	91.1	Very high	192 Å²	192	58.8 Å²	58.8	73%	0.725	27%	0.274	S	S	*	.			trans	-79.8	165.1	172.8	-52.2	178.2	175.5	-177.8	-0.7	109.8	A20 D21 L22	R18-A20 VanDerWaalsContact C-N 3.33Å; R18-A20 PolarHBondContact O-N 2.86Å; R18-D21 WeakPolarHBondContact CB-OD2 3.22Å; R18-D21 PolarHBondContact N-OD2 3.5Å; R18-D21 VanDerWaalsContact N-OD2 3.08Å; R18-D21 PolarHBondContact O-N 2.65Å; R18-D21 VanDerWaalsContact O-N 3.1Å; R18-L22 WeakPolarHBondContact O-CG 3.49Å; R18-L22 PolarHBondContact O-N 3.05Å; R18-L22 VanDerWaalsContact O-N 3.09Å
19	R	91.5	Very high	91.3	Very high	82 Å²	82	53.2 Å²	53.2	31%	0.309	25%	0.245	S	C	.	.	H	α-helix	trans	-58.3	-44.2	-178.4	178.1	57.1	-162.7	-132.3	2.9	112.2	D21 L22 D23 G35 L36	R19-D21 VanDerWaalsContact C-N 3.26Å; R19-D21 PolarHBondContact O-N 2.92Å; R19-L22 WeakPolarHBondContact O-CB 3.27Å; R19-L22 PolarHBondContact O-N 3.23Å; R19-D23 WeakPolarHBondContact CD-OD2 3.33Å; R19-D23 WeakPolarHBondContact CG-OD2 3.42Å; R19-D23 IonicContact CZ-OD1 2.66Å; R19-D23 VanDerWaalsContact CZ-OD1 3.22Å; R19-D23 IonicContact CZ-OD2 3.45Å; R19-D23 IonicContact NE-OD1 3.71Å; R19-D23 PolarHBondContact NE-OD1 3.41Å; R19-D23 IonicContact NE-OD2 3.59Å; R19-D23 PolarHBondContact NE-OD2 3.2Å; R19-D23 IonicContact NH2-OD1 3.72Å; R19-D23 PolarHBondContact NH2-OD1 2.91Å; R19-D23 IonicContact NH2-OD2 3.66Å; R19-D23 PolarHBondContact O-N 2.94Å; R19-D23 VanDerWaalsContact O-OD2 3.1Å; R19-G35 PolarHBondContact NH1-O 2.66Å; R19-L36 PolarHBondContact NH1-O 3.09Å
20	A	90.5	Very high	91.2	Very high	63 Å²	63	58.3 Å²	58.3	52%	0.521	27%	0.274	S	S	.	.	H	α-helix	trans	-60.2	-31.2	176.7	0	0	0	0	0	114	R18 K24	R18-A20 VanDerWaalsContact C-N 3.33Å; R18-A20 PolarHBondContact O-N 2.86Å; A20-K24 WeakPolarHBondContact O-CG 3.44Å; A20-K24 PolarHBondContact O-N 2.99Å
21	D	92.9	Very high	91	Very high	24 Å²	24	59.7 Å²	59.7	13%	0.128	28%	0.282	C	S	.	.	H	α-helix	trans	-77.7	-39.4	178.3	-48.8	-49	0	0	0	110.9	C17 R18 R19 D23 K24 L25 L63	C17-D21 HydrophobicContact CB-CB 4.25Å; R18-D21 WeakPolarHBondContact CB-OD2 3.22Å; R18-D21 PolarHBondContact N-OD2 3.5Å; R18-D21 VanDerWaalsContact N-OD2 3.08Å; R18-D21 PolarHBondContact O-N 2.65Å; R18-D21 VanDerWaalsContact O-N 3.1Å; R19-D21 VanDerWaalsContact C-N 3.26Å; R19-D21 PolarHBondContact O-N 2.92Å; D21-D23 VanDerWaalsContact C-N 3.31Å; D21-D23 PolarHBondContact O-N 3.25Å; D21-K24 WeakPolarHBondContact O-CB 3.07Å; D21-K24 PolarHBondContact O-N 2.87Å; D21-K24 VanDerWaalsContact O-N 3.13Å; D21-K24 IonicContact OD1-NZ 3.48Å; D21-L25 WeakPolarHBondContact O-CG 3.44Å; D21-L25 PolarHBondContact O-N 3.25Å; D21-L63 HydrophobicContact CB-CD1 4.28Å; D21-L63 HydrophobicContact CB-CD2 4.01Å
22	L	94	Very high	90.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-38.5	171.6	-65.6	166.4	0	0	0	111.5	I14 C17 R18 R19 K24 L25 I26 K37 I40 Q41 L44	I14-L22 HydrophobicContact CG2-CD2 4.02Å; C17-L22 HydrophobicContact CB-CD1 4.44Å; C17-L22 HydrophobicContact CB-CD2 3.84Å; C17-L22 HydrophobicContact CB-CG 3.81Å; R18-L22 WeakPolarHBondContact O-CG 3.49Å; R18-L22 PolarHBondContact O-N 3.05Å; R18-L22 VanDerWaalsContact O-N 3.09Å; R19-L22 WeakPolarHBondContact O-CB 3.27Å; R19-L22 PolarHBondContact O-N 3.23Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 3.43Å; L22-L25 PolarHBondContact O-N 3.5Å; L22-I26 WeakPolarHBondContact O-CB 3.45Å; L22-I26 WeakPolarHBondContact O-CG2 3.4Å; L22-I26 PolarHBondContact O-N 3.34Å; L22-K37 HydrophobicContact CD1-CD 4.32Å; L22-K37 HydrophobicContact CD1-CG 3.62Å; L22-I40 HydrophobicContact CB-CG2 3.78Å; L22-I40 HydrophobicContact CD2-CG2 4.42Å; L22-Q41 HydrophobicContact CD1-CG 3.53Å; L22-Q41 HydrophobicContact CD2-CG 3.82Å; L22-Q41 HydrophobicContact CG-CG 4.35Å; L22-L44 HydrophobicContact CD2-CD1 3.8Å
23	D	91.4	Very high	90.2	Very high	45 Å²	45	64.1 Å²	64.1	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-72	-16.8	174	-69.9	-43.3	0	0	0	113.7	R19 D21 K27	R19-D23 WeakPolarHBondContact CD-OD2 3.33Å; R19-D23 WeakPolarHBondContact CG-OD2 3.42Å; R19-D23 IonicContact CZ-OD1 2.66Å; R19-D23 VanDerWaalsContact CZ-OD1 3.22Å; R19-D23 IonicContact CZ-OD2 3.45Å; R19-D23 IonicContact NE-OD1 3.71Å; R19-D23 PolarHBondContact NE-OD1 3.41Å; R19-D23 IonicContact NE-OD2 3.59Å; R19-D23 PolarHBondContact NE-OD2 3.2Å; R19-D23 IonicContact NH2-OD1 3.72Å; R19-D23 PolarHBondContact NH2-OD1 2.91Å; R19-D23 IonicContact NH2-OD2 3.66Å; R19-D23 PolarHBondContact O-N 2.94Å; R19-D23 VanDerWaalsContact O-OD2 3.1Å; D21-D23 VanDerWaalsContact C-N 3.31Å; D21-D23 PolarHBondContact O-N 3.25Å; D23-K27 VanDerWaalsContact O-CD 3.24Å; D23-K27 WeakPolarHBondContact O-CD 3.33Å; D23-K27 WeakPolarHBondContact O-CE 3.1Å; D23-K27 VanDerWaalsContact O-CG 3.3Å; D23-K27 WeakPolarHBondContact O-CG 3.46Å
24	K	91.6	Very high	89.7	Confident	116 Å²	116	66.4 Å²	66.4	50%	0.504	32%	0.319	S	S	.	.	H	α-helix	trans	-78.1	-55.3	165	-68.5	166.9	-173.2	167.9	0	109.6	A20 D21 L22 I26 K27	A20-K24 WeakPolarHBondContact O-CG 3.44Å; A20-K24 PolarHBondContact O-N 2.99Å; D21-K24 WeakPolarHBondContact O-CB 3.07Å; D21-K24 PolarHBondContact O-N 2.87Å; D21-K24 VanDerWaalsContact O-N 3.13Å; D21-K24 IonicContact OD1-NZ 3.48Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 3.43Å; K24-I26 VanDerWaalsContact C-N 3.34Å; K24-I26 PolarHBondContact O-N 3.3Å; K24-K27 WeakPolarHBondContact O-CB 3.42Å; K24-K27 PolarHBondContact O-N 3.15Å
25	L	93.4	Very high	89.2	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-55.6	-44.7	-176	-74.6	167.9	0	0	0	112.7	D21 L22 K27 L28 L44 F56 A59 L60 L63	D21-L25 WeakPolarHBondContact O-CG 3.44Å; D21-L25 PolarHBondContact O-N 3.25Å; L22-L25 PolarHBondContact O-N 3.5Å; L25-K27 PolarHBondContact O-N 2.77Å; L25-L28 PolarHBondContact O-N 2.89Å; L25-L44 HydrophobicContact CB-CD1 3.6Å; L25-L44 HydrophobicContact CD1-CD1 4.14Å; L25-F56 HydrophobicContact CB-CE2 4.11Å; L25-F56 HydrophobicContact CD2-CD2 4.38Å; L25-F56 HydrophobicContact CD2-CE2 4.1Å; L25-A59 HydrophobicContact CD2-CB 4.47Å; L25-L60 HydrophobicContact CD1-CD1 3.64Å; L25-L60 HydrophobicContact CD2-CB 3.98Å; L25-L60 HydrophobicContact CD2-CD1 3.85Å; L25-L60 HydrophobicContact CG-CD1 4.42Å; L25-L63 HydrophobicContact CD1-CD1 3.95Å; L25-L63 HydrophobicContact CD2-CD1 3.87Å; L25-L63 HydrophobicContact CG-CD1 3.67Å
26	I	92.8	Very high	89	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-71.4	-14.2	-178.9	-157.9	153.4	0	0	0	113.8	L22 K24 L28 T29 L31 P32 R33 I40 R43 L44	L22-I26 WeakPolarHBondContact O-CB 3.45Å; L22-I26 WeakPolarHBondContact O-CG2 3.4Å; L22-I26 PolarHBondContact O-N 3.34Å; K24-I26 VanDerWaalsContact C-N 3.34Å; K24-I26 PolarHBondContact O-N 3.3Å; I26-L28 VanDerWaalsContact C-N 3.31Å; I26-T29 PolarHBondContact O-N 2.92Å; I26-T29 PolarHBondContact O-OG1 2.77Å; I26-L31 HydrophobicContact CD1-CB 4Å; I26-L31 HydrophobicContact CG1-CB 3.93Å; I26-P32 WeakPolarHBondContact CD1-O 3.35Å; I26-R33 HydrophobicContact CG2-CB 4.41Å; I26-R33 HydrophobicContact CG2-CG 4.23Å; I26-I40 HydrophobicContact CB-CG2 4.36Å; I26-I40 HydrophobicContact CD1-CB 4.44Å; I26-I40 HydrophobicContact CD1-CD1 4.33Å; I26-I40 HydrophobicContact CD1-CG1 4.13Å; I26-I40 HydrophobicContact CD1-CG2 3.84Å; I26-I40 HydrophobicContact CG2-CD1 4.41Å; I26-R43 HydrophobicContact CD1-CB 4.36Å; I26-L44 HydrophobicContact CB-CD2 4.04Å; I26-L44 HydrophobicContact CD1-CD2 4.35Å; I26-L44 HydrophobicContact CG1-CD2 4.13Å
27	K	91.9	Very high	89.1	Confident	126 Å²	126	64.8 Å²	64.8	55%	0.548	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-70.3	-30.6	172.6	-71.1	167.9	-176.6	175.1	0	112.2	D23 K24 L25 T29 R33	D23-K27 VanDerWaalsContact O-CD 3.24Å; D23-K27 WeakPolarHBondContact O-CD 3.33Å; D23-K27 WeakPolarHBondContact O-CE 3.1Å; D23-K27 VanDerWaalsContact O-CG 3.3Å; D23-K27 WeakPolarHBondContact O-CG 3.46Å; K24-K27 WeakPolarHBondContact O-CB 3.42Å; K24-K27 PolarHBondContact O-N 3.15Å; L25-K27 PolarHBondContact O-N 2.77Å; K27-T29 PolarHBondContact O-N 2.9Å; K27-R33 PolarHBondContact O-NH2 3.22Å
28	L	89	Confident	88.9	Confident	48 Å²	48	70.3 Å²	70.3	25%	0.251	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-79.4	13.7	177.3	-48.8	176.6	0	0	0	112.9	L25 I26 E55 A59	L25-L28 PolarHBondContact O-N 2.89Å; I26-L28 VanDerWaalsContact C-N 3.31Å; L28-E55 HydrophobicContact CD2-CG 4.29Å; L28-A59 HydrophobicContact CD1-CB 3.3Å
29	T	89	Confident	88.7	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.031	34%	0.336	C	S	.	.	S	Bend	trans	-137.5	151.1	-175.8	72.6	0	0	0	0	110.1	I26 K27 L31 L44 Y47 F56	I26-T29 PolarHBondContact O-N 2.92Å; I26-T29 PolarHBondContact O-OG1 2.77Å; K27-T29 PolarHBondContact O-N 2.9Å; T29-L31 HydrophobicContact CG2-CD1 4.2Å; T29-L31 PolarHBondContact O-N 2.74Å; T29-L31 WeakPolarHBondContact OG1-CB 3.5Å; T29-L31 WeakPolarHBondContact OG1-CD1 3.39Å; T29-L31 WeakPolarHBondContact OG1-CG 3.49Å; T29-L44 HydrophobicContact CG2-CD2 4.23Å; T29-Y47 HydrophobicContact CG2-CD1 3.67Å; T29-Y47 HydrophobicContact CG2-CE1 3.51Å; T29-Y47 HydrophobicContact CG2-CG 4.44Å; T29-F56 HydrophobicContact CG2-CD2 3.59Å; T29-F56 HydrophobicContact CG2-CE2 4.01Å; T29-F56 HydrophobicContact CG2-CG 4.25Å
30	N	82.7	Confident	88.7	Confident	176 Å²	176	59.7 Å²	59.7	94%	0.941	32%	0.321	S	S	*	.	S	Bend	trans	-80.8	34.1	173.1	-67.1	-34.7	0	0	0	112.4
31	L	85.6	Confident	88.9	Confident	42 Å²	42	57.6 Å²	57.6	22%	0.22	30%	0.301	C	S	.	.	S	Bend	trans	-99.5	151.3	-179.1	-57.2	168.9	0	0	0	110.7	I26 T29 R33 R43 L44 Y47	I26-L31 HydrophobicContact CD1-CB 4Å; I26-L31 HydrophobicContact CG1-CB 3.93Å; T29-L31 HydrophobicContact CG2-CD1 4.2Å; T29-L31 PolarHBondContact O-N 2.74Å; T29-L31 WeakPolarHBondContact OG1-CB 3.5Å; T29-L31 WeakPolarHBondContact OG1-CD1 3.39Å; T29-L31 WeakPolarHBondContact OG1-CG 3.49Å; L31-R33 PolarHBondContact O-N 3.49Å; L31-R43 HydrophobicContact CD1-CB 4.23Å; L31-L44 HydrophobicContact CD1-CD2 4.05Å; L31-Y47 HydrophobicContact CD1-CD2 4.4Å; L31-Y47 HydrophobicContact CD1-CG 3.98Å
32	P	82.8	Confident	88.8	Confident	18 Å²	18	60.2 Å²	60.2	12%	0.117	31%	0.314	C	S	.	.			trans	-56.1	137.1	172.6	16	-26.5	0	0	0	111.7	I26 R43 C354 W355	I26-P32 WeakPolarHBondContact CD1-O 3.35Å; P32-R43 PolarHBondContact O-NH1 2.89Å; P32-C354 WeakPolarHBondContact CB-O 3.3Å; P32-C354 VanDerWaalsContact CG-O 3.32Å; P32-C354 WeakPolarHBondContact CG-O 3.44Å; P32-W355 HydrophobicContact CB-CB 3.71Å; P32-W355 HydrophobicContact CG-CB 4.13Å
33	R	84.8	Confident	88.7	Confident	144 Å²	144	60.9 Å²	60.9	54%	0.543	32%	0.317	S	S	.	.			trans	-95.2	-10.9	-174.5	-57.2	-179.6	176.3	164.7	-5.4	114.7	I26 K27 L31	I26-R33 HydrophobicContact CG2-CB 4.41Å; I26-R33 HydrophobicContact CG2-CG 4.23Å; K27-R33 PolarHBondContact O-NH2 3.22Å; L31-R33 PolarHBondContact O-N 3.49Å
34	G	81.2	Confident	88.8	Confident	50 Å²	50	58.7 Å²	58.7	52%	0.515	31%	0.305	S	S	.	.			trans	-89.7	173.7	178.5	0	0	0	0	0	114.4	R43	G34-R43 VanDerWaalsContact O-CZ 3.24Å; G34-R43 PolarHBondContact O-NH1 2.88Å; G34-R43 PolarHBondContact O-NH2 3.05Å
35	G	82.8	Confident	88.9	Confident	45 Å²	45	54.3 Å²	54.3	46%	0.464	29%	0.287	S	S	.	.	S	Bend	trans	107	-180	-178.9	0	0	0	0	0	113.4	R19	R19-G35 PolarHBondContact NH1-O 2.66Å
36	L	88.2	Confident	88.7	Confident	115 Å²	115	55.8 Å²	55.8	60%	0.602	30%	0.298	S	S	*	.			trans	-73.7	174.8	178.7	-63	171.7	0	0	0	112.3	R19 D39 I40	R19-L36 PolarHBondContact NH1-O 3.09Å; L36-D39 PolarHBondContact N-OD2 3.28Å; L36-I40 PolarHBondContact O-N 3.18Å
37	K	90.9	Very high	88.6	Confident	68 Å²	68	57.9 Å²	57.9	30%	0.296	31%	0.306	S	S	.	.	H	α-helix	trans	-59.9	-49.2	178.7	-168.4	-155.1	178.8	-165.9	0	111	C17 L22 D39 I40 Q41	C17-K37 WeakPolarHBondContact O-CE 3.49Å; C17-K37 PolarHBondContact O-NZ 2.77Å; L22-K37 HydrophobicContact CD1-CD 4.32Å; L22-K37 HydrophobicContact CD1-CG 3.62Å; K37-D39 VanDerWaalsContact C-N 3.34Å; K37-D39 PolarHBondContact O-N 2.92Å; K37-I40 PolarHBondContact O-N 2.98Å; K37-Q41 VanDerWaalsContact CE-NE2 3.35Å; K37-Q41 WeakPolarHBondContact O-CG 3.11Å; K37-Q41 PolarHBondContact O-N 3.08Å
38	Q	88.5	Confident	88.6	Confident	116 Å²	116	52 Å²	52	54%	0.542	28%	0.28	S	S	.	.	H	α-helix	trans	-57.6	-46.8	-179	-71.7	79.6	-11.3	0	0	110.9	I40 Q41 L42	Q38-I40 VanDerWaalsContact C-N 3.27Å; Q38-I40 PolarHBondContact O-N 3.15Å; Q38-Q41 WeakPolarHBondContact O-CA 3.43Å; Q38-Q41 WeakPolarHBondContact O-CB 3.49Å; Q38-Q41 PolarHBondContact O-N 2.83Å; Q38-L42 WeakPolarHBondContact O-CG 3.25Å; Q38-L42 PolarHBondContact O-N 3.2Å
39	D	87.6	Confident	88.6	Confident	51 Å²	51	54 Å²	54	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-57.9	-38.4	179.6	-42.3	-1	0	0	0	112.1	L36 K37 R43	L36-D39 PolarHBondContact N-OD2 3.28Å; K37-D39 VanDerWaalsContact C-N 3.34Å; K37-D39 PolarHBondContact O-N 2.92Å; D39-R43 PolarHBondContact O-N 3.34Å; D39-R43 VanDerWaalsContact O-N 3.13Å; D39-R43 PolarHBondContact O-NE 2.95Å; D39-R43 PolarHBondContact O-NH2 3.1Å
40	I	91.5	Very high	88.1	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-73.9	-39.8	175.5	-67.9	-169.7	0	0	0	110.9	L22 I26 L36 K37 Q38 L42 R43 L44	L22-I40 HydrophobicContact CB-CG2 3.78Å; L22-I40 HydrophobicContact CD2-CG2 4.42Å; I26-I40 HydrophobicContact CB-CG2 4.36Å; I26-I40 HydrophobicContact CD1-CB 4.44Å; I26-I40 HydrophobicContact CD1-CD1 4.33Å; I26-I40 HydrophobicContact CD1-CG1 4.13Å; I26-I40 HydrophobicContact CD1-CG2 3.84Å; I26-I40 HydrophobicContact CG2-CD1 4.41Å; L36-I40 PolarHBondContact O-N 3.18Å; K37-I40 PolarHBondContact O-N 2.98Å; Q38-I40 VanDerWaalsContact C-N 3.27Å; Q38-I40 PolarHBondContact O-N 3.15Å; I40-L42 VanDerWaalsContact C-N 3.32Å; I40-L42 PolarHBondContact O-N 3.43Å; I40-R43 PolarHBondContact O-N 2.81Å; I40-R43 VanDerWaalsContact O-N 3.16Å; I40-L44 HydrophobicContact CG2-CD1 3.99Å; I40-L44 HydrophobicContact CG2-CG 4.14Å; I40-L44 WeakPolarHBondContact O-CG 3.38Å; I40-L44 PolarHBondContact O-N 3.13Å
41	Q	93.8	Very high	88.1	Confident	18 Å²	18	57 Å²	57	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-59.3	-44.4	175.1	-67.1	177.2	-55.8	0	0	111.1	I14 Q15 L22 K37 Q38 R43 L44 I45	I14-Q41 HydrophobicContact CG2-CB 4.16Å; I14-Q41 HydrophobicContact CG2-CG 4.3Å; I14-Q41 PolarHBondContact O-NE2 2.95Å; Q15-Q41 VanDerWaalsContact CA-NE2 3.31Å; Q15-Q41 PolarHBondContact O-NE2 2.79Å; L22-Q41 HydrophobicContact CD1-CG 3.53Å; L22-Q41 HydrophobicContact CD2-CG 3.82Å; L22-Q41 HydrophobicContact CG-CG 4.35Å; K37-Q41 VanDerWaalsContact CE-NE2 3.35Å; K37-Q41 WeakPolarHBondContact O-CG 3.11Å; K37-Q41 PolarHBondContact O-N 3.08Å; Q38-Q41 WeakPolarHBondContact O-CA 3.43Å; Q38-Q41 WeakPolarHBondContact O-CB 3.49Å; Q38-Q41 PolarHBondContact O-N 2.83Å; Q41-R43 PolarHBondContact O-N 2.84Å; Q41-L44 PolarHBondContact O-N 3.14Å; Q41-I45 WeakPolarHBondContact O-CB 3.48Å; Q41-I45 WeakPolarHBondContact O-CD1 3.2Å; Q41-I45 WeakPolarHBondContact O-CG1 3.42Å; Q41-I45 PolarHBondContact O-N 3.47Å
42	L	91.6	Very high	88.2	Confident	80 Å²	80	56.3 Å²	56.3	42%	0.419	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-36	175.2	-68.8	170.9	0	0	0	112.6	Q38 I40 S46 Y352	Q38-L42 WeakPolarHBondContact O-CG 3.25Å; Q38-L42 PolarHBondContact O-N 3.2Å; I40-L42 VanDerWaalsContact C-N 3.32Å; I40-L42 PolarHBondContact O-N 3.43Å; L42-S46 VanDerWaalsContact O-CB 3.25Å; L42-S46 WeakPolarHBondContact O-CB 3.46Å; L42-S46 PolarHBondContact O-N 3.38Å; L42-Y352 HydrophobicContact CB-CE2 3.77Å; L42-Y352 PolarHBondContact O-OH 3.01Å
43	R	91.9	Very high	88.5	Confident	13 Å²	13	57.2 Å²	57.2	5%	0.049	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-48.1	173.6	-89.7	169.4	-72.7	-179.5	-12.4	112.8	I26 L31 P32 G34 D39 I40 Q41 I45 S46 Y47 Y352	I26-R43 HydrophobicContact CD1-CB 4.36Å; L31-R43 HydrophobicContact CD1-CB 4.23Å; P32-R43 PolarHBondContact O-NH1 2.89Å; G34-R43 VanDerWaalsContact O-CZ 3.24Å; G34-R43 PolarHBondContact O-NH1 2.88Å; G34-R43 PolarHBondContact O-NH2 3.05Å; D39-R43 PolarHBondContact O-N 3.34Å; D39-R43 VanDerWaalsContact O-N 3.13Å; D39-R43 PolarHBondContact O-NE 2.95Å; D39-R43 PolarHBondContact O-NH2 3.1Å; I40-R43 PolarHBondContact O-N 2.81Å; I40-R43 VanDerWaalsContact O-N 3.16Å; Q41-R43 PolarHBondContact O-N 2.84Å; R43-I45 VanDerWaalsContact C-N 3.35Å; R43-I45 PolarHBondContact O-N 3.12Å; R43-S46 PolarHBondContact O-N 3.4Å; R43-Y47 WeakPolarHBondContact O-CB 3.48Å; R43-Y47 PolarHBondContact O-N 2.98Å; R43-Y352 WeakPolarHBondContact CA-OH 3.24Å; R43-Y352 HydrophobicContact CB-CE2 4.43Å; R43-Y352 HydrophobicContact CG-CD2 4.15Å; R43-Y352 HydrophobicContact CG-CE1 4.23Å; R43-Y352 HydrophobicContact CG-CE2 3.6Å
44	L	93.3	Very high	88.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.6	-33.7	-179.5	-64.4	-175.8	0	0	0	112.4	I14 L22 L25 I26 T29 L31 I40 Q41 L48 F56	I14-L44 HydrophobicContact CD1-CB 4.14Å; I14-L44 HydrophobicContact CG2-CB 3.94Å; L22-L44 HydrophobicContact CD2-CD1 3.8Å; L25-L44 HydrophobicContact CB-CD1 3.6Å; L25-L44 HydrophobicContact CD1-CD1 4.14Å; I26-L44 HydrophobicContact CB-CD2 4.04Å; I26-L44 HydrophobicContact CD1-CD2 4.35Å; I26-L44 HydrophobicContact CG1-CD2 4.13Å; T29-L44 HydrophobicContact CG2-CD2 4.23Å; L31-L44 HydrophobicContact CD1-CD2 4.05Å; I40-L44 HydrophobicContact CG2-CD1 3.99Å; I40-L44 HydrophobicContact CG2-CG 4.14Å; I40-L44 WeakPolarHBondContact O-CG 3.38Å; I40-L44 PolarHBondContact O-N 3.13Å; Q41-L44 PolarHBondContact O-N 3.14Å; L44-L48 PolarHBondContact O-N 2.89Å; L44-F56 HydrophobicContact CB-CZ 4.39Å; L44-F56 HydrophobicContact CD2-CE2 3.78Å; L44-F56 HydrophobicContact CD2-CZ 4.23Å
45	I	92.9	Very high	89	Confident	23 Å²	23	58 Å²	58	12%	0.118	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-47.4	170.9	-71.1	163.6	0	0	0	110.8	K11 I14 Q15 Q41 R43 Y47 L48 D49	K11-I45 HydrophobicContact CB-CG1 4.42Å; K11-I45 HydrophobicContact CD-CG2 3.9Å; K11-I45 HydrophobicContact CG-CG1 4.42Å; K11-I45 HydrophobicContact CG-CG2 4.08Å; I14-I45 HydrophobicContact CB-CG1 4.21Å; I14-I45 HydrophobicContact CD1-CG1 4.26Å; I14-I45 HydrophobicContact CG2-CD1 4.37Å; I14-I45 HydrophobicContact CG2-CG1 3.97Å; Q15-I45 HydrophobicContact CG-CD1 3.91Å; Q41-I45 WeakPolarHBondContact O-CB 3.48Å; Q41-I45 WeakPolarHBondContact O-CD1 3.2Å; Q41-I45 WeakPolarHBondContact O-CG1 3.42Å; Q41-I45 PolarHBondContact O-N 3.47Å; R43-I45 VanDerWaalsContact C-N 3.35Å; R43-I45 PolarHBondContact O-N 3.12Å; I45-Y47 VanDerWaalsContact C-N 3.29Å; I45-Y47 PolarHBondContact O-N 3.14Å; I45-L48 VanDerWaalsContact O-CB 3.3Å; I45-L48 WeakPolarHBondContact O-CB 3.41Å; I45-L48 PolarHBondContact O-N 3.34Å; I45-D49 PolarHBondContact O-N 3.09Å
46	S	89.2	Confident	89.5	Confident	33 Å²	33	55.9 Å²	55.9	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-30.4	179.3	-172.1	0	0	0	0	113.1	L42 R43 D49 Q50 Y352	L42-S46 VanDerWaalsContact O-CB 3.25Å; L42-S46 WeakPolarHBondContact O-CB 3.46Å; L42-S46 PolarHBondContact O-N 3.38Å; R43-S46 PolarHBondContact O-N 3.4Å; S46-D49 PolarHBondContact O-N 3.47Å; S46-Q50 PolarHBondContact O-N 2.78Å; S46-Q50 PolarHBondContact O-NE2 3.29Å; S46-Q50 PolarHBondContact OG-NE2 3.23Å; S46-Y352 WeakPolarHBondContact CB-OH 3.41Å
47	Y	91.6	Very high	89.6	Confident	44 Å²	44	53.2 Å²	53.2	17%	0.173	28%	0.276	C	S	.	.	H	α-helix	trans	-71.8	-37.9	172.9	-177.1	-115	0	0	0	112.2	T29 L31 R43 I45 D49 Q50 P52 S53 F56	T29-Y47 HydrophobicContact CG2-CD1 3.67Å; T29-Y47 HydrophobicContact CG2-CE1 3.51Å; T29-Y47 HydrophobicContact CG2-CG 4.44Å; L31-Y47 HydrophobicContact CD1-CD2 4.4Å; L31-Y47 HydrophobicContact CD1-CG 3.98Å; R43-Y47 WeakPolarHBondContact O-CB 3.48Å; R43-Y47 PolarHBondContact O-N 2.98Å; I45-Y47 VanDerWaalsContact C-N 3.29Å; I45-Y47 PolarHBondContact O-N 3.14Å; Y47-D49 PolarHBondContact O-N 2.93Å; Y47-Q50 PolarHBondContact O-N 2.75Å; Y47-P52 HydrophobicContact CD1-CB 3.95Å; Y47-P52 HydrophobicContact CE1-CB 3.71Å; Y47-S53 PolarHBondContact OH-N 3.38Å; Y47-S53 PolarHBondContact OH-OG 3.45Å; Y47-F56 HydrophobicContact CD1-CD1 4.02Å; Y47-F56 HydrophobicContact CD1-CD2 4.39Å; Y47-F56 HydrophobicContact CD1-CE1 4.02Å; Y47-F56 HydrophobicContact CD1-CE2 4.42Å; Y47-F56 HydrophobicContact CD1-CG 4.2Å; Y47-F56 HydrophobicContact CD1-CZ 4.23Å; Y47-F56 HydrophobicContact CE1-CB 4.12Å; Y47-F56 AromaticContact CE1-CD1 3.91Å; Y47-F56 HydrophobicContact CE1-CD1 3.91Å; Y47-F56 HydrophobicContact CE1-CD2 4.29Å; Y47-F56 HydrophobicContact CE1-CE1 4.38Å; Y47-F56 AromaticContact CE1-CG 3.84Å; Y47-F56 HydrophobicContact CE1-CG 3.84Å
48	L	91.7	Very high	89.5	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-32.9	170.6	-155.7	79.3	0	0	0	111.5	H7 L10 K11 L44 I45 P52 F56 L57 L60	H7-L48 PolarHBondContact CE1-O 3.36Å; H7-L48 PolarHBondContact NE2-O 3.42Å; L10-L48 HydrophobicContact CB-CD2 3.81Å; L10-L48 HydrophobicContact CD1-CD1 4.47Å; K11-L48 HydrophobicContact CG-CD2 3.84Å; L44-L48 PolarHBondContact O-N 2.89Å; I45-L48 VanDerWaalsContact O-CB 3.3Å; I45-L48 WeakPolarHBondContact O-CB 3.41Å; I45-L48 PolarHBondContact O-N 3.34Å; L48-P52 HydrophobicContact CD1-CG 4.25Å; L48-P52 WeakPolarHBondContact O-CD 3.33Å; L48-F56 HydrophobicContact CD1-CE1 3.86Å; L48-L57 HydrophobicContact CD1-CD2 3.92Å; L48-L60 HydrophobicContact CD1-CD2 3.9Å
49	D	88.3	Confident	89.7	Confident	89 Å²	89	49.2 Å²	49.2	48%	0.476	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.6	176	-74.5	-46.8	0	0	0	115.4	H7 K11 I45 S46 Y47	H7-D49 IonicContact CE1-OD1 2.76Å; H7-D49 PolarHBondContact CE1-OD1 2.79Å; H7-D49 IonicContact ND1-OD1 2.95Å; K11-D49 WeakPolarHBondContact CE-OD1 3.49Å; K11-D49 IonicContact NZ-OD1 3.22Å; K11-D49 PolarHBondContact NZ-OD1 3.13Å; K11-D49 IonicContact NZ-OD2 3.53Å; K11-D49 PolarHBondContact NZ-OD2 2.78Å; I45-D49 PolarHBondContact O-N 3.09Å; S46-D49 PolarHBondContact O-N 3.47Å; Y47-D49 PolarHBondContact O-N 2.93Å
50	Q	79.5	Confident	89.9	Confident	91 Å²	91	46.8 Å²	46.8	43%	0.425	26%	0.257	S	S	.	.	S	Bend	trans	-128.2	37.5	-172.3	-84.1	170.8	105.8	0	0	112.8	S46 Y47	S46-Q50 PolarHBondContact O-N 2.78Å; S46-Q50 PolarHBondContact O-NE2 3.29Å; S46-Q50 PolarHBondContact OG-NE2 3.23Å; Y47-Q50 PolarHBondContact O-N 2.75Å
51	D	82.5	Confident	89.8	Confident	154 Å²	154	50.4 Å²	50.4	82%	0.824	28%	0.277	S	S	*	.			trans	59.7	79.5	-174.9	-59.6	-43	0	0	0	113.6
52	P	86.9	Confident	89.6	Confident	28 Å²	28	55.7 Å²	55.7	18%	0.182	30%	0.301	C	S	.	.			trans	-74.1	151.6	-178.1	31.4	-37.3	0	0	0	113.3	Y47 L48 F56 L57	Y47-P52 HydrophobicContact CD1-CB 3.95Å; Y47-P52 HydrophobicContact CE1-CB 3.71Å; L48-P52 HydrophobicContact CD1-CG 4.25Å; L48-P52 WeakPolarHBondContact O-CD 3.33Å; P52-F56 HydrophobicContact CB-CD1 3.8Å; P52-F56 HydrophobicContact CB-CE1 4.22Å; P52-L57 HydrophobicContact CB-CD2 4.43Å; P52-L57 HydrophobicContact CB-CG 4.37Å; P52-L57 HydrophobicContact CG-CD1 4.15Å; P52-L57 HydrophobicContact CG-CD2 3.86Å; P52-L57 HydrophobicContact CG-CG 4.02Å
53	S	88.7	Confident	89.5	Confident	36 Å²	36	52.8 Å²	52.8	25%	0.252	29%	0.286	S	S	.	.			trans	-65.9	153.1	-179.9	62.9	0	0	0	0	114.2	Y47 E55 F56 L57	Y47-S53 PolarHBondContact OH-N 3.38Å; Y47-S53 PolarHBondContact OH-OG 3.45Å; S53-E55 VanDerWaalsContact C-N 3.34Å; S53-E55 PolarHBondContact O-N 3.43Å; S53-F56 PolarHBondContact O-N 2.82Å; S53-F56 VanDerWaalsContact OG-CB 3.23Å; S53-F56 WeakPolarHBondContact OG-CB 3.49Å; S53-F56 PolarHBondContact OG-N 3Å; S53-L57 WeakPolarHBondContact O-CG 3.47Å; S53-L57 PolarHBondContact O-N 3.15Å
54	T	87	Confident	89.3	Confident	90 Å²	90	55 Å²	55	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-55.4	-46.3	174.4	45.5	0	0	0	0	111.8	L57 S58 E687	T54-L57 PolarHBondContact O-N 3Å; T54-S58 WeakPolarHBondContact O-CB 3.4Å; T54-S58 PolarHBondContact O-N 3.07Å; T54-E687 PolarHBondContact OG1-OE2 2.82Å
55	E	89.5	Confident	88.6	Confident	121 Å²	121	56.9 Å²	56.9	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-58.9	-46.8	176	-172.4	-176.8	-160.6	0	0	112.5	L28 S53 S58 A59	L28-E55 HydrophobicContact CD2-CG 4.29Å; S53-E55 VanDerWaalsContact C-N 3.34Å; S53-E55 PolarHBondContact O-N 3.43Å; E55-S58 WeakPolarHBondContact O-CB 3.23Å; E55-S58 PolarHBondContact O-N 3.32Å; E55-A59 PolarHBondContact O-N 3.4Å
56	F	93.5	Very high	87.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-44.1	177.7	172.2	-94.9	0	0	0	112	L25 T29 L44 Y47 L48 P52 S53 S58 A59 L60	L25-F56 HydrophobicContact CB-CE2 4.11Å; L25-F56 HydrophobicContact CD2-CD2 4.38Å; L25-F56 HydrophobicContact CD2-CE2 4.1Å; T29-F56 HydrophobicContact CG2-CD2 3.59Å; T29-F56 HydrophobicContact CG2-CE2 4.01Å; T29-F56 HydrophobicContact CG2-CG 4.25Å; L44-F56 HydrophobicContact CB-CZ 4.39Å; L44-F56 HydrophobicContact CD2-CE2 3.78Å; L44-F56 HydrophobicContact CD2-CZ 4.23Å; Y47-F56 HydrophobicContact CD1-CD1 4.02Å; Y47-F56 HydrophobicContact CD1-CD2 4.39Å; Y47-F56 HydrophobicContact CD1-CE1 4.02Å; Y47-F56 HydrophobicContact CD1-CE2 4.42Å; Y47-F56 HydrophobicContact CD1-CG 4.2Å; Y47-F56 HydrophobicContact CD1-CZ 4.23Å; Y47-F56 HydrophobicContact CE1-CB 4.12Å; Y47-F56 AromaticContact CE1-CD1 3.91Å; Y47-F56 HydrophobicContact CE1-CD1 3.91Å; Y47-F56 HydrophobicContact CE1-CD2 4.29Å; Y47-F56 HydrophobicContact CE1-CE1 4.38Å; Y47-F56 AromaticContact CE1-CG 3.84Å; Y47-F56 HydrophobicContact CE1-CG 3.84Å; L48-F56 HydrophobicContact CD1-CE1 3.86Å; P52-F56 HydrophobicContact CB-CD1 3.8Å; P52-F56 HydrophobicContact CB-CE1 4.22Å; S53-F56 PolarHBondContact O-N 2.82Å; S53-F56 VanDerWaalsContact OG-CB 3.23Å; S53-F56 WeakPolarHBondContact OG-CB 3.49Å; S53-F56 PolarHBondContact OG-N 3Å; F56-S58 VanDerWaalsContact C-N 3.3Å; F56-S58 PolarHBondContact O-N 3.38Å; F56-A59 PolarHBondContact O-N 3.26Å; F56-L60 HydrophobicContact CE1-CD2 3.93Å; F56-L60 HydrophobicContact CZ-CD2 4.14Å; F56-L60 WeakPolarHBondContact O-CB 3.26Å; F56-L60 PolarHBondContact O-N 2.76Å
57	L	91.2	Very high	86.6	Confident	60 Å²	60	64.3 Å²	64.3	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-35.7	176.6	-72.6	176.7	0	0	0	112.1	L48 P52 S53 T54 N61	L48-L57 HydrophobicContact CD1-CD2 3.92Å; P52-L57 HydrophobicContact CB-CD2 4.43Å; P52-L57 HydrophobicContact CB-CG 4.37Å; P52-L57 HydrophobicContact CG-CD1 4.15Å; P52-L57 HydrophobicContact CG-CD2 3.86Å; P52-L57 HydrophobicContact CG-CG 4.02Å; S53-L57 WeakPolarHBondContact O-CG 3.47Å; S53-L57 PolarHBondContact O-N 3.15Å; T54-L57 PolarHBondContact O-N 3Å; L57-N61 PolarHBondContact O-N 3.21Å; L57-N61 PolarHBondContact O-ND2 2.84Å
58	S	89	Confident	85.3	Confident	80 Å²	80	68.7 Å²	68.7	56%	0.559	37%	0.366	S	S	*	.	H	α-helix	trans	-63.2	-57.4	174.5	-170.2	0	0	0	0	111.1	T54 E55 F56 L60 N61 E62	T54-S58 WeakPolarHBondContact O-CB 3.4Å; T54-S58 PolarHBondContact O-N 3.07Å; E55-S58 WeakPolarHBondContact O-CB 3.23Å; E55-S58 PolarHBondContact O-N 3.32Å; F56-S58 VanDerWaalsContact C-N 3.3Å; F56-S58 PolarHBondContact O-N 3.38Å; S58-L60 VanDerWaalsContact C-N 3.28Å; S58-L60 PolarHBondContact O-N 3.35Å; S58-N61 PolarHBondContact O-N 3.25Å; S58-E62 PolarHBondContact O-N 2.96Å
59	A	91.6	Very high	82.9	Confident	20 Å²	20	72.9 Å²	72.9	17%	0.165	39%	0.388	C	S	.	.	H	α-helix	trans	-62.6	-31.6	-179	0	0	0	0	0	113.5	L25 L28 E55 F56 L63	L25-A59 HydrophobicContact CD2-CB 4.47Å; L28-A59 HydrophobicContact CD1-CB 3.3Å; E55-A59 PolarHBondContact O-N 3.4Å; F56-A59 PolarHBondContact O-N 3.26Å; A59-L63 WeakPolarHBondContact O-CB 3.42Å; A59-L63 PolarHBondContact O-N 3.3Å
60	L	93.1	Very high	80.5	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-68.7	-37.3	174.9	-172.3	66.2	0	0	0	112.1	L10 F13 I14 L25 L48 F56 S58 R64	L10-L60 HydrophobicContact CB-CD2 4.19Å; L10-L60 HydrophobicContact CD1-CD2 4.43Å; L10-L60 HydrophobicContact CD2-CD2 3.92Å; L10-L60 HydrophobicContact CD2-CG 4.04Å; L10-L60 HydrophobicContact CG-CD2 4.41Å; F13-L60 HydrophobicContact CD1-CD1 3.84Å; F13-L60 HydrophobicContact CD1-CG 4.46Å; F13-L60 HydrophobicContact CE1-CD1 4.07Å; I14-L60 HydrophobicContact CD1-CD1 4.38Å; I14-L60 HydrophobicContact CD1-CD2 4.13Å; I14-L60 HydrophobicContact CG1-CD1 3.83Å; I14-L60 HydrophobicContact CG1-CD2 4.4Å; L25-L60 HydrophobicContact CD1-CD1 3.64Å; L25-L60 HydrophobicContact CD2-CB 3.98Å; L25-L60 HydrophobicContact CD2-CD1 3.85Å; L25-L60 HydrophobicContact CG-CD1 4.42Å; L48-L60 HydrophobicContact CD1-CD2 3.9Å; F56-L60 HydrophobicContact CE1-CD2 3.93Å; F56-L60 HydrophobicContact CZ-CD2 4.14Å; F56-L60 WeakPolarHBondContact O-CB 3.26Å; F56-L60 PolarHBondContact O-N 2.76Å; S58-L60 VanDerWaalsContact C-N 3.28Å; S58-L60 PolarHBondContact O-N 3.35Å; L60-R64 WeakPolarHBondContact O-CB 3.46Å; L60-R64 PolarHBondContact O-N 2.6Å
61	N	89.9	Confident	78.2	Confident	76 Å²	76	74.2 Å²	74.2	41%	0.406	41%	0.408	S	S	.	.	H	α-helix	trans	-75.1	-33.5	174.3	-78.2	-64.2	0	0	0	112.6	L57 S58 R64 G65	L57-N61 PolarHBondContact O-N 3.21Å; L57-N61 PolarHBondContact O-ND2 2.84Å; S58-N61 PolarHBondContact O-N 3.25Å; N61-R64 WeakPolarHBondContact O-CB 3.27Å; N61-R64 PolarHBondContact O-N 2.99Å; N61-G65 PolarHBondContact O-N 3.38Å
62	E	88.9	Confident	75.7	Confident	129 Å²	129	73.6 Å²	73.6	60%	0.603	41%	0.405	S	S	*	.	H	α-helix	trans	-61.5	-52.1	171.9	-170.5	-168	167.9	0	0	111	S58 R64 G65 L66	S58-E62 PolarHBondContact O-N 2.96Å; E62-R64 PolarHBondContact O-N 3.31Å; E62-G65 PolarHBondContact O-N 2.88Å; E62-L66 WeakPolarHBondContact O-CG 3.23Å; E62-L66 PolarHBondContact O-N 2.84Å
63	L	89.3	Confident	72.8	Confident	19 Å²	19	82.7 Å²	82.7	10%	0.099	44%	0.442	C	S	.	.	H	α-helix	trans	-57.8	-37.2	174	-89.2	164.4	0	0	0	112.3	F13 D21 L25 A59 M67	F13-L63 HydrophobicContact CE1-CB 3.91Å; F13-L63 VanDerWaalsContact CZ-C 3.41Å; F13-L63 HydrophobicContact CZ-CB 3.99Å; F13-L63 WeakPolarHBondContact CZ-O 3.26Å; D21-L63 HydrophobicContact CB-CD1 4.28Å; D21-L63 HydrophobicContact CB-CD2 4.01Å; L25-L63 HydrophobicContact CD1-CD1 3.95Å; L25-L63 HydrophobicContact CD2-CD1 3.87Å; L25-L63 HydrophobicContact CG-CD1 3.67Å; A59-L63 WeakPolarHBondContact O-CB 3.42Å; A59-L63 PolarHBondContact O-N 3.3Å; L63-M67 PolarHBondContact O-N 3.46Å
64	R	88.2	Confident	69.8	Low	60 Å²	60	88.3 Å²	88.3	23%	0.226	46%	0.464	C	S	.	.	H	α-helix	trans	-63.3	-45.6	173.8	-177.3	-173.1	173.5	173.5	3.7	111.2	E9 F13 L60 N61 E62 M67 Y68	E9-R64 IonicContact OE2-CZ 2.89Å; E9-R64 IonicContact OE2-NH1 3.22Å; E9-R64 IonicContact OE2-NH2 2.66Å; E9-R64 PolarHBondContact OE2-NH2 3.07Å; F13-R64 HydrophobicContact CD1-CB 4.15Å; F13-R64 HydrophobicContact CD2-CB 4.43Å; F13-R64 HydrophobicContact CD2-CG 4.4Å; F13-R64 HydrophobicContact CE1-CB 4.04Å; F13-R64 HydrophobicContact CE2-CB 4.34Å; F13-R64 HydrophobicContact CG-CB 4.36Å; F13-R64 HydrophobicContact CG-CG 4.45Å; F13-R64 VanDerWaalsContact CZ-CA 3.49Å; F13-R64 HydrophobicContact CZ-CB 4.17Å; L60-R64 WeakPolarHBondContact O-CB 3.46Å; L60-R64 PolarHBondContact O-N 2.6Å; N61-R64 WeakPolarHBondContact O-CB 3.27Å; N61-R64 PolarHBondContact O-N 2.99Å; E62-R64 PolarHBondContact O-N 3.31Å; R64-M67 PolarHBondContact O-N 2.73Å; R64-Y68 HydrophobicContact CG-CD2 3.78Å; R64-Y68 HydrophobicContact CG-CE2 4.23Å; R64-Y68 WeakPolarHBondContact O-CB 3.42Å; R64-Y68 WeakPolarHBondContact O-CD2 3.47Å; R64-Y68 PolarHBondContact O-N 2.99Å
65	G	78.4	Confident	66.9	Low	39 Å²	39	91.4 Å²	91.4	40%	0.402	47%	0.47	S	S	.	.	H	α-helix	trans	-58	-47.9	176.9	0	0	0	0	0	112.4	N61 E62 M67 Y68 N69	N61-G65 PolarHBondContact O-N 3.38Å; E62-G65 PolarHBondContact O-N 2.88Å; G65-M67 VanDerWaalsContact C-N 3.26Å; G65-M67 PolarHBondContact O-N 2.76Å; G65-Y68 PolarHBondContact O-N 3.04Å; G65-N69 PolarHBondContact O-N 2.94Å
66	L	76.2	Confident	64	Low	122 Å²	122	95.4 Å²	95.4	64%	0.639	49%	0.488	S	S	*	.	H	α-helix	trans	-62.3	-27.6	178.2	-66.9	171.9	0	0	0	113.8	E62	E62-L66 WeakPolarHBondContact O-CG 3.23Å; E62-L66 PolarHBondContact O-N 2.84Å
67	M	63.7	Low	60.9	Low	90 Å²	90	102.7 Å²	102.7	44%	0.443	52%	0.523	S	S	.	.	H	α-helix	trans	-90.2	-28.8	176.4	-80.6	-165.6	59.3	0	0	114.4	F13 L63 R64 G65	F13-M67 HydrophobicContact CE2-CB 3.86Å; F13-M67 HydrophobicContact CE2-CE 4.33Å; F13-M67 HydrophobicContact CE2-CG 4.07Å; F13-M67 HydrophobicContact CE2-SD 3.53Å; F13-M67 VanDerWaalsContact CE2-SD 3.53Å; F13-M67 HydrophobicContact CZ-CB 4.43Å; F13-M67 HydrophobicContact CZ-CG 4.35Å; F13-M67 HydrophobicContact CZ-SD 3.9Å; L63-M67 PolarHBondContact O-N 3.46Å; R64-M67 PolarHBondContact O-N 2.73Å; G65-M67 VanDerWaalsContact C-N 3.26Å; G65-M67 PolarHBondContact O-N 2.76Å
68	Y	64.3	Low	58	Low	135 Å²	135	104.8 Å²	104.8	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-92.4	-9.9	-178.5	-86.5	-82.3	0	0	0	114.3	F13 R16 R64 G65	F13-Y68 HydrophobicContact CD2-CE2 4.2Å; R16-Y68 PolarHBondContact NH1-OH 3.23Å; R64-Y68 HydrophobicContact CG-CD2 3.78Å; R64-Y68 HydrophobicContact CG-CE2 4.23Å; R64-Y68 WeakPolarHBondContact O-CB 3.42Å; R64-Y68 WeakPolarHBondContact O-CD2 3.47Å; R64-Y68 PolarHBondContact O-N 2.99Å; G65-Y68 PolarHBondContact O-N 3.04Å
69	N	41.2	Very low	55	Low	92 Å²	92	108.9 Å²	108.9	49%	0.492	56%	0.558	S	S	.	*			trans	-128.7	81.5	179	-157	-3.2	0	0	0	112.9	G65 V71	G65-N69 PolarHBondContact O-N 2.94Å; N69-V71 PolarHBondContact O-N 2.88Å
70	P	37.4	Very low	52	Low	114 Å²	114	111.8 Å²	111.8	74%	0.74	59%	0.59	S	S	*	*			trans	-68.9	-6.7	176.4	-17.6	32.1	0	0	0	114.4
71	V	31.9	Very low	49	Very low	94 Å²	94	119.3 Å²	119.3	57%	0.57	63%	0.63	S	S	*	*			trans	-117.2	67.6	-164.9	-167.6	0	0	0	0	110.3	N69	N69-V71 PolarHBondContact O-N 2.88Å
72	N	29.6	Very low	46	Very low	141 Å²	141	124.2 Å²	124.2	75%	0.754	65%	0.648	S	S	*	*			trans	-148.3	25.2	163.8	-119.5	-14.2	0	0	0	114
73	F	27	Very low	43.1	Very low	219 Å²	219	125.8 Å²	125.8	96%	0.961	66%	0.661	S	S	*	*			trans	-117.3	62	165.2	-103.7	-83.2	0	0	0	109.5
74	Q	25.9	Very low	40.4	Very low	153 Å²	153	128.7 Å²	128.7	72%	0.715	68%	0.68	S	S	*	*			trans	-141.6	100.5	-178.7	-163.1	164.9	0.1	0	0	111.6
75	F	25.4	Very low	37.6	Very low	155 Å²	155	134.3 Å²	134.3	68%	0.68	71%	0.709	S	S	*	*			trans	51.5	94.9	157.1	-76.5	-115.9	0	0	0	117.9	Q77	F75-Q77 HydrophobicContact CD1-CB 4.06Å; F75-Q77 HydrophobicContact CD1-CG 3.71Å; F75-Q77 HydrophobicContact CE1-CG 3.98Å
76	Q	28.1	Very low	35.2	Very low	205 Å²	205	138.5 Å²	138.5	96%	0.958	73%	0.731	S	S	*	*			trans	-97.8	85	131	-81	-168.8	-17.4	0	0	109.1
77	Q	28.3	Very low	33.2	Very low	154 Å²	154	137.5 Å²	137.5	72%	0.72	73%	0.732	S	S	*	*			trans	-101	126.3	154.9	-73	-172.3	-6.6	0	0	107.5	F75	F75-Q77 HydrophobicContact CD1-CB 4.06Å; F75-Q77 HydrophobicContact CD1-CG 3.71Å; F75-Q77 HydrophobicContact CE1-CG 3.98Å
78	S	30.5	Very low	31.7	Very low	103 Å²	103	138.4 Å²	138.4	72%	0.72	75%	0.747	S	S	*	*			trans	-148.2	87.3	174.7	62.4	0	0	0	0	112.3
79	N	27.3	Very low	30.2	Very low	166 Å²	166	136.5 Å²	136.5	89%	0.888	75%	0.753	S	S	*	*			trans	60.6	121.3	146.3	-54	-15.1	0	0	0	120.3
80	G	27.3	Very low	29.8	Very low	82 Å²	82	139.2 Å²	139.2	85%	0.845	77%	0.767	S	S	*	*			trans	99.5	129.8	165.1	0	0	0	0	0	113.6
81	N	30.5	Very low	29.7	Very low	157 Å²	157	141 Å²	141	84%	0.84	77%	0.769	S	S	*	*			cis	-142.4	168.5	-2.9	-165.8	21.8	0	0	0	110.4
82	F	26.5	Very low	29.6	Very low	180 Å²	180	143 Å²	143	79%	0.789	78%	0.784	S	S	*	*			trans	-68.5	146.8	-179.2	-84.9	-107.2	0	0	0	113.9
83	D	29	Very low	29.7	Very low	162 Å²	162	140.8 Å²	140.8	87%	0.866	79%	0.785	S	S	*	*				-150.4	138.4	127.8	-133.8	-13.5	0	0	0	110.1
84	P	31.7	Very low	29.9	Very low	79 Å²	79	136.3 Å²	136.3	51%	0.513	78%	0.782	S	S	.	*			trans	-112.9	166	-172.8	38.4	-29.1	0	0	0	116.1
85	H	29.9	Very low	30	Very low	179 Å²	179	136.6 Å²	136.6	83%	0.829	79%	0.787	S	S	*	*			trans	71.5	118.5	175.5	-49.7	-79.1	0	0	0	115.4
86	C	28.6	Very low	30.2	Very low	126 Å²	126	137.1 Å²	137.1	85%	0.851	79%	0.794	S	S	*	*				-156.2	175.2	61.1	-102.9	0	0	0	0	113.9
87	P	33.4	Very low	30.3	Very low	102 Å²	102	138.6 Å²	138.6	66%	0.662	79%	0.792	S	S	*	*			trans	-122.4	175.3	-156.7	42.4	-31.4	0	0	0	117.2
88	S	31.6	Very low	30.4	Very low	109 Å²	109	138.8 Å²	138.8	76%	0.762	80%	0.797	S	S	*	*			trans	66.4	145.9	157.7	36.1	0	0	0	0	118.7
89	S	32.2	Very low	30.3	Very low	94 Å²	94	145.2 Å²	145.2	66%	0.657	81%	0.806	S	S	*	*			cis	-157	-179.8	-3.9	44.4	0	0	0	0	112.3
90	D	34.4	Very low	30.4	Very low	149 Å²	149	143.8 Å²	143.8	80%	0.797	80%	0.798	S	S	*	*			trans	89.5	125	155.7	-53.9	-55.2	0	0	0	120.4
91	I	34	Very low	30.7	Very low	151 Å²	151	145.9 Å²	145.9	77%	0.774	80%	0.8	S	S	*	*			trans	-142	144.2	-175.2	-59.5	166.3	0	0	0	106.7	A93	I91-A93 HydrophobicContact CG2-CB 4.19Å
92	P	31.3	Very low	30.6	Very low	137 Å²	137	143.8 Å²	143.8	89%	0.89	79%	0.793	S	S	*	*			trans	-111.1	131.3	143.7	-9.8	29.2	0	0	0	111.5
93	A	30.1	Very low	30.6	Very low	94 Å²	94	141.8 Å²	141.8	78%	0.777	79%	0.789	S	S	*	*			trans	-110.6	149.2	-171.1	0	0	0	0	0	113.2	I91	I91-A93 HydrophobicContact CG2-CB 4.19Å
94	S	32.5	Very low	30.6	Very low	126 Å²	126	144.6 Å²	144.6	88%	0.881	79%	0.787	S	S	*	*			trans	-153.4	50.4	166.6	-162.3	0	0	0	0	112
95	L	27.7	Very low	30.3	Very low	158 Å²	158	145.9 Å²	145.9	83%	0.827	80%	0.797	S	S	*	*			trans	-156	67.8	174.5	-131.3	-179.1	0	0	0	112.9
96	M	28.6	Very low	30.4	Very low	166 Å²	166	143.6 Å²	143.6	82%	0.818	80%	0.798	S	S	*	*			trans	-152.1	120.7	168.5	-96.7	-60.3	127.7	0	0	111.1
97	Y	30.9	Very low	30.3	Very low	236 Å²	236	143.3 Å²	143.3	93%	0.925	79%	0.793	S	S	*	*			trans	-166.1	101.2	134.8	-112.7	-69.7	0	0	0	110.4
98	L	30.7	Very low	30	Very low	159 Å²	159	147.3 Å²	147.3	83%	0.832	80%	0.803	S	S	*	*			trans	-140.5	104.2	166.9	-100.6	174.3	0	0	0	107
99	R	27.3	Very low	29.8	Very low	238 Å²	238	146.5 Å²	146.5	90%	0.898	80%	0.797	S	S	*	*			trans	-178.1	170	148.4	-107	169.8	179.3	171.6	1.6	113.6
100	D	30.1	Very low	29.5	Very low	135 Å²	135	146.2 Å²	146.2	72%	0.722	80%	0.795	S	S	*	*			trans	-58.4	157.8	-165.5	-54.5	-95.9	0	0	0	117.3
101	S	33.6	Very low	29.2	Very low	126 Å²	126	147.3 Å²	147.3	88%	0.881	79%	0.793	S	S	*	*			trans	-149.1	144	135	-76.1	0	0	0	0	109.8
102	T	29	Very low	28.9	Very low	114 Å²	114	147.2 Å²	147.2	70%	0.699	79%	0.794	S	S	*	*			trans	-101.1	-166.6	-170.5	51.4	0	0	0	0	112
103	I	26.9	Very low	28.8	Very low	138 Å²	138	145.9 Å²	145.9	71%	0.708	79%	0.788	S	S	*	*			trans	80.6	133.9	168.2	-54.5	150.5	0	0	0	112.8
104	R	28.3	Very low	28.8	Very low	220 Å²	220	145.4 Å²	145.4	83%	0.83	79%	0.792	S	S	*	*			cis	-145.8	153.7	9.6	-152.4	167.6	-81	-153.1	-6.3	111.8
105	C	25.1	Very low	28.7	Very low	106 Å²	106	143 Å²	143	72%	0.716	79%	0.787	S	S	*	*			trans	-91.3	147.7	162	-62.1	0	0	0	0	111.2
106	P	31.2	Very low	29.3	Very low	132 Å²	132	140.8 Å²	140.8	86%	0.857	78%	0.782	S	S	*	*			trans	-104.1	92.3	158.6	34.3	-24.7	0	0	0	110.4
107	T	27.7	Very low	29.5	Very low	120 Å²	120	139.7 Å²	139.7	74%	0.736	78%	0.779	S	S	*	*			trans	-103.8	164.8	155.9	44.3	0	0	0	0	108.8
108	E	27.9	Very low	29.5	Very low	185 Å²	185	132.9 Å²	132.9	86%	0.864	77%	0.766	S	S	*	*			trans	77.5	149.3	-174.3	-57	-178.5	-155.6	0	0	116.5
109	S	26.3	Very low	29.4	Very low	92 Å²	92	130.4 Å²	130.4	64%	0.643	76%	0.761	S	S	*	*			cis	-160.5	146.5	-29.8	58.8	0	0	0	0	113
110	S	26.8	Very low	29.7	Very low	89 Å²	89	125.8 Å²	125.8	62%	0.622	75%	0.754	S	S	*	*			trans	75	150.4	146.4	87.1	0	0	0	0	121.3
111	K	27.9	Very low	29.7	Very low	172 Å²	172	125.5 Å²	125.5	75%	0.748	76%	0.757	S	S	*	*			trans	72.6	111	150.6	-69	160.2	-171.3	167	0	119.7
112	N	27.6	Very low	29.5	Very low	149 Å²	149	122.8 Å²	122.8	80%	0.797	75%	0.748	S	S	*	*			trans	75.9	144.9	131.3	-61	7	0	0	0	118
113	S	27.9	Very low	29.7	Very low	109 Å²	109	123.8 Å²	123.8	76%	0.762	76%	0.755	S	S	*	*			cis	-171.7	155.5	-17.7	47.7	0	0	0	0	109.3
114	G	31.3	Very low	29.8	Very low	84 Å²	84	126.4 Å²	126.4	87%	0.866	76%	0.761	S	S	*	*			trans	94.2	97	151.7	0	0	0	0	0	116.1
115	G	30.2	Very low	30	Very low	74 Å²	74	123.5 Å²	123.5	76%	0.763	76%	0.76	S	S	*	*				130	141.5	119.2	0	0	0	0	0	114.9
116	P	40.1	Very low	30	Very low	112 Å²	112	123 Å²	123	73%	0.727	76%	0.758	S	S	*	*			trans	-131.2	-161.9	-151.2	33.2	-9.3	0	0	0	112.7
117	N	32	Very low	29.7	Very low	143 Å²	143	122.3 Å²	122.3	77%	0.765	76%	0.755	S	S	*	*			trans	101.2	134.1	158.6	-55.4	-31.2	0	0	0	116.1
118	S	31.8	Very low	29.7	Very low	93 Å²	93	121.2 Å²	121.2	65%	0.65	75%	0.752	S	S	*	*			cis	-168.4	165.2	-12.3	47.2	0	0	0	0	112.4
119	C	29.2	Very low	29.5	Very low	107 Å²	107	119.6 Å²	119.6	72%	0.723	75%	0.749	S	S	*	*			trans	70.2	143.6	151.3	-68.9	0	0	0	0	118.6
120	L	33.4	Very low	29.6	Very low	142 Å²	142	122.3 Å²	122.3	74%	0.743	75%	0.751	S	S	*	*			cis	-152.1	130.8	-14.7	-87.3	149	0	0	0	103.8
121	T	29.6	Very low	29.8	Very low	128 Å²	128	123.4 Å²	123.4	79%	0.785	75%	0.745	S	S	*	*				41.4	134.4	80.1	67.9	0	0	0	0	115.1
122	G	29.3	Very low	29.8	Very low	69 Å²	69	119.8 Å²	119.8	71%	0.711	73%	0.731	S	S	*	*			cis	-144.7	-155.1	2.5	0	0	0	0	0	110.7
123	T	33.5	Very low	29.8	Very low	135 Å²	135	118.1 Å²	118.1	83%	0.828	72%	0.718	S	S	*	*			cis	-150.8	143.9	14.1	-53.9	0	0	0	0	110.2
124	K	29.2	Very low	29.7	Very low	193 Å²	193	119.2 Å²	119.2	84%	0.839	72%	0.715	S	S	*	*			trans	-106.7	133.2	170.8	-74.7	-179.9	176.1	177.9	0	110.7
125	I	31.3	Very low	29.5	Very low	159 Å²	159	121.3 Å²	121.3	82%	0.815	71%	0.706	S	S	*	*			trans	-146	117.1	152.2	-50.9	179	0	0	0	105.4
126	S	26.3	Very low	29.5	Very low	96 Å²	96	126.8 Å²	126.8	67%	0.671	71%	0.711	S	S	*	*			cis	89.6	79.1	15.1	91.7	0	0	0	0	117.4
127	C	25	Very low	29.3	Very low	118 Å²	118	128.1 Å²	128.1	80%	0.797	71%	0.712	S	S	*	*			trans	-176.7	129.8	145.7	-94.3	0	0	0	0	106.2
128	S	26.4	Very low	29.3	Very low	96 Å²	96	125.5 Å²	125.5	67%	0.671	70%	0.703	S	S	*	*				70.8	138.1	63.8	85.4	0	0	0	0	112.1
129	L	25.3	Very low	29.1	Very low	151 Å²	151	131.2 Å²	131.2	79%	0.791	71%	0.712	S	S	*	*			cis	-158.6	-174.8	6.4	-128.2	165.9	0	0	0	111.1
130	Q	26.5	Very low	29.2	Very low	149 Å²	149	132.6 Å²	132.6	70%	0.696	72%	0.717	S	S	*	*			trans	74.7	173.1	160.9	-80.5	157.8	-35.1	0	0	120.2
131	K	31.8	Very low	29	Very low	112 Å²	112	132.1 Å²	132.1	49%	0.487	72%	0.719	S	S	.	*				-161.6	115.4	-128.9	-180	-148.7	173.7	-154.2	0	114.4	N220 L221	K131-N220 PolarHBondContact NZ-OD1 2.96Å; K131-N220 CarbonylContact O-C 3.58Å; K131-N220 WeakPolarHBondContact O-CA 3.5Å; K131-L221 PolarHBondContact O-N 3Å
132	E	27.4	Very low	28.9	Very low	97 Å²	97	134 Å²	134	45%	0.453	72%	0.719	S	S	.	*			trans	-152.9	168	176.4	-84.2	-105.6	98.8	0	0	108.3	L221 S222 S223	E132-L221 WeakPolarHBondContact OE1-CA 3.33Å; E132-L221 WeakPolarHBondContact OE1-CD2 3.49Å; E132-S222 VanDerWaalsContact CD-CA 3.48Å; E132-S222 VanDerWaalsContact OE2-CA 3.23Å; E132-S222 WeakPolarHBondContact OE2-CA 3.21Å; E132-S223 PolarHBondContact OE2-N 3.43Å
133	Q	27.1	Very low	29.4	Very low	113 Å²	113	136.8 Å²	136.8	53%	0.528	73%	0.725	S	S	.	*			cis	160.5	122.2	-31.7	-98.5	-106.1	86.7	0	0	106
134	L	26.6	Very low	29.2	Very low	133 Å²	133	137 Å²	137	70%	0.696	72%	0.721	S	S	*	*			trans	60	124.5	160.1	-68.3	164.4	0	0	0	121.6
135	N	26.3	Very low	29.5	Very low	128 Å²	128	136 Å²	136	68%	0.684	72%	0.723	S	S	*	*			trans	41.5	129.3	132.2	-62.4	-0.1	0	0	0	121
136	H	31	Very low	29.5	Very low	188 Å²	188	134.6 Å²	134.6	87%	0.87	72%	0.717	S	S	*	*				-153.5	137.1	94.4	-109.6	-72.2	0	0	0	114.1
137	N	35.1	Very low	29.8	Very low	140 Å²	140	136.2 Å²	136.2	75%	0.749	72%	0.723	S	S	*	*			trans	-119.2	139.8	160.7	-176.8	44.9	0	0	0	107
138	P	32.9	Very low	30.1	Very low	88 Å²	88	139.2 Å²	139.2	57%	0.571	72%	0.722	S	S	*	*			trans	-110.3	157.6	171.1	36.5	-28.2	0	0	0	113.5
139	Y	28.1	Very low	30.4	Very low	214 Å²	214	137.7 Å²	137.7	84%	0.839	72%	0.722	S	S	*	*			trans	83.6	61.1	172.4	-57.7	-70.3	0	0	0	119.4
140	V	30	Very low	30.7	Very low	135 Å²	135	139.3 Å²	139.3	82%	0.818	73%	0.725	S	S	*	*			trans	-130	139.3	134.1	179.8	0	0	0	0	107.4
141	V	30.2	Very low	31	Very low	133 Å²	133	137.3 Å²	137.3	81%	0.806	73%	0.728	S	S	*	*			trans	-101.5	137.5	178.1	177.3	0	0	0	0	109.6
142	Q	28.4	Very low	31	Very low	168 Å²	168	137.3 Å²	137.3	79%	0.785	74%	0.742	S	S	*	*			trans	-136.7	138.2	169	-73.8	-172.8	-31.7	0	0	110.2
143	P	38.4	Very low	31.5	Very low	127 Å²	127	138 Å²	138	83%	0.825	76%	0.755	S	S	*	*			trans	-80.2	138.4	163.3	32.7	-31.1	0	0	0	110.6
144	N	30	Very low	31.7	Very low	139 Å²	139	140.5 Å²	140.5	74%	0.743	77%	0.772	S	S	*	*			trans	-83.8	157.3	172.2	-76.4	-65.3	0	0	0	111.5
145	I	35	Very low	32.1	Very low	171 Å²	171	142.4 Å²	142.4	88%	0.877	78%	0.777	S	S	*	*				-151.7	139.6	126	-99.7	148.2	0	0	0	108.4
146	N	31.5	Very low	32.5	Very low	131 Å²	131	143.6 Å²	143.6	70%	0.701	78%	0.783	S	S	*	*			trans	-98.9	161.8	-177.7	-76.9	-47.5	0	0	0	111.4
147	V	32.2	Very low	32.4	Very low	130 Å²	130	141.3 Å²	141.3	79%	0.788	78%	0.777	S	S	*	*				-178	143.9	108.1	149.5	0	0	0	0	112.3
148	F	32.1	Very low	32.3	Very low	180 Å²	180	139.4 Å²	139.4	79%	0.789	78%	0.775	S	S	*	*			trans	-33.8	158.3	172.3	-57	-104.2	0	0	0	118
149	G	32.1	Very low	32.4	Very low	64 Å²	64	140.1 Å²	140.1	66%	0.66	78%	0.778	S	S	*	*			cis	135.6	148	-6.2	0	0	0	0	0	115
150	Q	32.7	Very low	32.7	Very low	185 Å²	185	138.3 Å²	138.3	86%	0.864	77%	0.774	S	S	*	*			trans	72.4	150.4	170.4	-61.1	-178.8	16.7	0	0	116.3
151	S	32.9	Very low	33	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	77%	0.773	S	S	*	*			cis	-164.6	156.8	-5.2	41.2	0	0	0	0	113.9
152	S	31.7	Very low	33.2	Very low	112 Å²	112	141 Å²	141	78%	0.783	77%	0.766	S	S	*	*			trans	70.6	136.7	156.5	-141.4	0	0	0	0	121.1
153	P	37.4	Very low	33.7	Very low	112 Å²	112	140.6 Å²	140.6	73%	0.727	76%	0.764	S	S	*	*			trans	-103.8	161.1	161.1	39.4	-31.6	0	0	0	112.6
154	D	31.8	Very low	33.5	Very low	166 Å²	166	141.4 Å²	141.4	89%	0.888	76%	0.757	S	S	*	*			trans	-171.5	175.4	148	-112.3	-35.6	0	0	0	112.8
155	E	34.8	Very low	33.8	Very low	172 Å²	172	143 Å²	143	80%	0.804	76%	0.757	S	S	*	*			trans	69.5	94	168.2	-60.3	-157.3	116.9	0	0	121.9
156	L	33.3	Very low	33.6	Very low	154 Å²	154	138.8 Å²	138.8	81%	0.806	74%	0.743	S	S	*	*				42.9	123.3	111.3	-78.2	154.8	0	0	0	123.1
157	D	30.7	Very low	33.7	Very low	140 Å²	140	139.4 Å²	139.4	75%	0.749	74%	0.742	S	S	*	*			trans	58	120.1	130.6	-138.6	-9.1	0	0	0	121.5
158	S	33.2	Very low	33.6	Very low	100 Å²	100	140.4 Å²	140.4	70%	0.699	74%	0.738	S	S	*	*				174.2	124.9	109.1	48.9	0	0	0	0	117.3
159	T	34.6	Very low	33.4	Very low	103 Å²	103	136.3 Å²	136.3	63%	0.632	73%	0.728	S	S	*	*			trans	57.6	115.5	140.1	57.8	0	0	0	0	125.2
160	K	34.2	Very low	33.5	Very low	175 Å²	175	139.7 Å²	139.7	76%	0.761	73%	0.731	S	S	*	*				56.7	120.1	119.6	-58	166.8	-176.2	166.8	0	121
161	N	35.8	Very low	33.3	Very low	148 Å²	148	135.5 Å²	135.5	79%	0.791	72%	0.722	S	S	*	*				179	157.3	95.9	-88.9	-52.8	0	0	0	109.7
162	R	35.2	Very low	33.2	Very low	176 Å²	176	135 Å²	135	66%	0.664	72%	0.718	S	S	*	*			cis	132.7	102	-11	-177.6	-151.9	-178.5	-159.6	1.2	110.7
163	Q	38.4	Very low	33	Very low	160 Å²	160	136 Å²	136	75%	0.748	72%	0.715	S	S	*	*			trans	179.3	125	136.2	-97.4	155.4	86.9	0	0	107.9
164	Q	34.8	Very low	32.6	Very low	145 Å²	145	139.6 Å²	139.6	68%	0.678	72%	0.722	S	S	*	*				69.1	142.5	78.4	-67.7	-176.2	-16.8	0	0	112.4
165	K	35.6	Very low	32.7	Very low	172 Å²	172	138.7 Å²	138.7	75%	0.748	72%	0.716	S	S	*	*			cis	-163.3	150.5	36.1	-153	-165.6	176	-173.1	0	113
166	S	31.6	Very low	32.4	Very low	83 Å²	83	136.5 Å²	136.5	58%	0.58	72%	0.717	S	S	*	*			trans	56.9	151.4	138.5	54.8	0	0	0	0	123.6
167	Q	32.5	Very low	32.1	Very low	144 Å²	144	137 Å²	137	67%	0.673	72%	0.715	S	S	*	*			cis	-172.7	152.9	-12.8	-108.7	162	-47.8	0	0	109.8
168	Q	30.8	Very low	32.4	Very low	150 Å²	150	135.5 Å²	135.5	70%	0.701	72%	0.716	S	S	*	*			trans	58.7	155.8	139.8	-63.9	174.8	-92.8	0	0	121.2
169	T	28.3	Very low	32.4	Very low	95 Å²	95	136.6 Å²	136.6	58%	0.583	72%	0.721	S	S	*	*			cis	-160	176.9	-21	31.7	0	0	0	0	108.9
170	D	32.9	Very low	32.3	Very low	134 Å²	134	139.3 Å²	139.3	72%	0.717	73%	0.73	S	S	*	*			trans	78.1	145.5	150.3	-63.6	-54.5	0	0	0	119.8
171	S	29.1	Very low	32.3	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	72%	0.724	S	S	*	*			cis	-166.3	165.1	-26.3	-108.6	0	0	0	0	110.8
172	S	30.2	Very low	32.2	Very low	97 Å²	97	136.5 Å²	136.5	68%	0.678	72%	0.724	S	S	*	*			trans	65.7	118.6	161.8	-79.5	0	0	0	0	122.5
173	D	28.4	Very low	31.9	Very low	133 Å²	133	131.5 Å²	131.5	71%	0.711	73%	0.728	S	S	*	*				50.7	121.9	119.1	-47	-53.8	0	0	0	119.1
174	Q	27.8	Very low	31.4	Very low	187 Å²	187	131.5 Å²	131.5	87%	0.874	73%	0.733	S	S	*	*				-170.4	161.3	55.2	-132.2	158.6	62.3	0	0	112.8
175	L	33.8	Very low	31.5	Very low	147 Å²	147	129.5 Å²	129.5	77%	0.77	73%	0.732	S	S	*	*			trans	-83.8	154.2	168.5	-92.5	160.6	0	0	0	111.7
176	P	28.7	Very low	31.2	Very low	126 Å²	126	128 Å²	128	82%	0.818	74%	0.737	S	S	*	*				-135.6	166.1	117.2	28.9	-13.3	0	0	0	114.4
177	Q	28.4	Very low	31.3	Very low	164 Å²	164	131.1 Å²	131.1	77%	0.766	75%	0.746	S	S	*	*			trans	-106.3	129.2	-174.7	-63	174.9	-13	0	0	113.2
178	S	36.8	Very low	31.1	Very low	109 Å²	109	129.4 Å²	129.4	76%	0.762	74%	0.741	S	S	*	*			trans	60.4	158.6	150.4	71.2	0	0	0	0	119.5
179	P	33.2	Very low	31.2	Very low	124 Å²	124	127.6 Å²	127.6	81%	0.805	74%	0.743	S	S	*	*				-139	-172.5	92.9	37.5	-22.8	0	0	0	115
180	L	32.4	Very low	31.4	Very low	159 Å²	159	126.5 Å²	126.5	83%	0.832	74%	0.739	S	S	*	*			trans	-94.3	153.1	-171.4	-64.4	146.8	0	0	0	113.3
181	F	33.7	Very low	31.5	Very low	141 Å²	141	126 Å²	126	62%	0.618	74%	0.74	S	S	*	*			trans	-151.6	164.5	154.8	-93.2	-47.1	0	0	0	111.7	D761 N762	F181-D761 WeakPolarHBondContact CE2-OD1 3.44Å; F181-N762 WeakPolarHBondContact CZ-OD1 3.45Å
182	P	33.2	Very low	31.8	Very low	124 Å²	124	130.8 Å²	130.8	81%	0.805	74%	0.743	S	S	*	*			trans	-131	177.9	-130.4	41.2	-24.1	0	0	0	116
183	G	28.8	Very low	32	Very low	71 Å²	71	129.4 Å²	129.4	73%	0.732	73%	0.734	S	S	*	*			trans	129.2	68.1	155.2	0	0	0	0	0	117.4	P185	G183-P185 WeakPolarHBondContact O-CD 3.48Å
184	N	28.3	Very low	32.3	Very low	160 Å²	160	127.2 Å²	127.2	86%	0.856	73%	0.729	S	S	*	*			trans	-92.4	116.9	164.3	-93.9	-28.4	0	0	0	110.5	V186	N184-V186 PolarHBondContact O-N 3.18Å
185	P	36.2	Very low	32.5	Very low	103 Å²	103	125.8 Å²	125.8	67%	0.669	72%	0.716	S	S	*	*			trans	-75.2	109.6	168.8	29.7	-31.7	0	0	0	110.1	G183 I187	G183-P185 WeakPolarHBondContact O-CD 3.48Å; P185-I187 HydrophobicContact CB-CG1 4.47Å; P185-I187 PolarHBondContact O-N 3.13Å
186	V	31.2	Very low	32.5	Very low	140 Å²	140	126.4 Å²	126.4	85%	0.848	72%	0.715	S	S	*	*			trans	-73.9	106.9	174.7	178.2	0	0	0	0	109.4	N184	N184-V186 PolarHBondContact O-N 3.18Å
187	I	31.9	Very low	32.9	Very low	149 Å²	149	124 Å²	124	76%	0.764	70%	0.701	S	S	*	*			trans	-112.1	90.7	178.9	-56.5	-177.9	0	0	0	110.4	P185	P185-I187 HydrophobicContact CB-CG1 4.47Å; P185-I187 PolarHBondContact O-N 3.13Å
188	N	29.4	Very low	33.4	Very low	108 Å²	108	121.3 Å²	121.3	58%	0.578	70%	0.695	S	S	*	*			trans	17.8	112.3	156.9	-168.5	4.8	0	0	0	119.3	S190	N188-S190 VanDerWaalsContact C-N 3.29Å; N188-S190 PolarHBondContact ND2-OG 3.25Å; N188-S190 PolarHBondContact O-N 2.8Å; N188-S190 WeakPolarHBondContact OD1-CB 3.44Å; N188-S190 PolarHBondContact OD1-N 3.45Å; N188-S190 PolarHBondContact OD1-OG 2.85Å
189	P	32.1	Very low	33.3	Very low	112 Å²	112	125 Å²	125	73%	0.727	70%	0.697	S	S	*	*			trans	-70.6	-4.4	174.7	-19.5	33.1	0	0	0	117.3	V191 W192	P189-V191 PolarHBondContact O-N 3.09Å; P189-W192 PolarHBondContact O-N 3.04Å
190	S	32.5	Very low	33.4	Very low	72 Å²	72	127.8 Å²	127.8	50%	0.503	70%	0.697	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.4	18.6	-160.1	76.2	0	0	0	0	117.8	N188	N188-S190 VanDerWaalsContact C-N 3.29Å; N188-S190 PolarHBondContact ND2-OG 3.25Å; N188-S190 PolarHBondContact O-N 2.8Å; N188-S190 WeakPolarHBondContact OD1-CB 3.44Å; N188-S190 PolarHBondContact OD1-N 3.45Å; N188-S190 PolarHBondContact OD1-OG 2.85Å
191	V	35.7	Very low	33.4	Very low	122 Å²	122	127.6 Å²	127.6	74%	0.739	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	-17.5	177.7	-175.1	0	0	0	0	112.5	P189	P189-V191 PolarHBondContact O-N 3.09Å
192	W	36	Very low	33.4	Very low	198 Å²	198	128.4 Å²	128.4	75%	0.75	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-15.2	178.7	-77	-26.3	0	0	0	114.9	P189 S194 W195	P189-W192 PolarHBondContact O-N 3.04Å; W192-S194 PolarHBondContact O-N 2.84Å; W192-S194 VanDerWaalsContact O-N 3.16Å; W192-W195 PolarHBondContact O-N 3.09Å
193	S	33.2	Very low	33.3	Very low	69 Å²	69	128.2 Å²	128.2	48%	0.483	71%	0.705	S	S	.	*	H	α-helix	trans	-61.8	-21.5	179.2	46.5	0	0	0	0	114.5	W195 S197	S193-W195 VanDerWaalsContact C-N 3.35Å; S193-S197 PolarHBondContact O-OG 3.3Å
194	S	35.1	Very low	33.4	Very low	86 Å²	86	132.6 Å²	132.6	60%	0.601	71%	0.706	S	S	*	*	H	α-helix	trans	-71.9	-23.8	174.2	-56.3	0	0	0	0	113.9	W192	W192-S194 PolarHBondContact O-N 2.84Å; W192-S194 VanDerWaalsContact O-N 3.16Å
195	W	33.1	Very low	33.5	Very low	158 Å²	158	133.1 Å²	133.1	60%	0.598	71%	0.709	S	S	*	*	H	α-helix	trans	-83.5	-31.5	-171.8	-139.8	-14.7	0	0	0	113.2	W192 S193	W192-W195 PolarHBondContact O-N 3.09Å; S193-W195 VanDerWaalsContact C-N 3.35Å
196	E	33.6	Very low	33.2	Very low	160 Å²	160	136.9 Å²	136.9	75%	0.748	71%	0.71	S	S	*	*	H	α-helix	trans	-70.4	-33.4	173.5	-66.6	-163.9	124.1	0	0	112.2	V198 K199	E196-V198 VanDerWaalsContact C-N 3.29Å; E196-V198 PolarHBondContact O-N 2.9Å; E196-K199 PolarHBondContact O-N 3.48Å
197	S	37	Very low	33.1	Very low	76 Å²	76	137.2 Å²	137.2	53%	0.531	71%	0.712	S	S	.	*	H	α-helix	trans	-65.2	-29	-178.8	-63.3	0	0	0	0	113.5	S193 K199	S193-S197 PolarHBondContact O-OG 3.3Å; S197-K199 VanDerWaalsContact C-N 3.35Å
198	V	37.2	Very low	32.9	Very low	106 Å²	106	134.3 Å²	134.3	64%	0.642	70%	0.701	S	S	*	*	H	α-helix	trans	-74.5	-23.3	179.3	178.8	0	0	0	0	112.4	E196 K200	E196-V198 VanDerWaalsContact C-N 3.29Å; E196-V198 PolarHBondContact O-N 2.9Å; V198-K200 VanDerWaalsContact C-N 3.26Å; V198-K200 PolarHBondContact O-N 2.74Å
199	K	35.3	Very low	32.9	Very low	187 Å²	187	137.2 Å²	137.2	81%	0.813	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	4.4	177.8	-74.6	-174.4	176	176.9	0	114.5	E196 S197	E196-K199 PolarHBondContact O-N 3.48Å; S197-K199 VanDerWaalsContact C-N 3.35Å
200	K	36.2	Very low	32.6	Very low	182 Å²	182	136.2 Å²	136.2	79%	0.791	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	5.9	178.8	-77.7	-177.5	174.1	174.2	0	115.1	V198	V198-K200 VanDerWaalsContact C-N 3.26Å; V198-K200 PolarHBondContact O-N 2.74Å
201	L	32.2	Very low	32.6	Very low	155 Å²	155	142.4 Å²	142.4	81%	0.812	73%	0.731	S	S	*	*	S	Bend	trans	-130	45.8	-175.2	-67.6	175.2	0	0	0	113.7
202	L	34.3	Very low	32.2	Very low	158 Å²	158	141.6 Å²	141.6	83%	0.827	73%	0.731	S	S	*	*	S	Bend	trans	-136.9	134.7	165.5	-84.1	169.1	0	0	0	109.6
203	P	31.3	Very low	31.7	Very low	121 Å²	121	137.7 Å²	137.7	79%	0.786	73%	0.733	S	S	*	*			trans	-76.9	134.5	-176.7	30.1	-34.1	0	0	0	112.4	N205	P203-N205 PolarHBondContact O-N 2.79Å
204	E	30.9	Very low	31.5	Very low	162 Å²	162	140.2 Å²	140.2	76%	0.757	75%	0.745	S	S	*	*			trans	-73.8	114.1	172.1	-69.6	-164.1	122.4	0	0	111.3
205	N	30.3	Very low	31.2	Very low	171 Å²	171	141.7 Å²	141.7	91%	0.914	76%	0.755	S	S	*	*			trans	-102.2	96.9	162.3	-105.6	-22.9	0	0	0	109.2	P203	P203-N205 PolarHBondContact O-N 2.79Å
206	R	29.4	Very low	30.9	Very low	183 Å²	183	137.5 Å²	137.5	69%	0.691	76%	0.761	S	S	*	*			trans	-117.5	74.9	-164.6	-162	-173.6	-150.4	-112	10	112.7	T208	R206-T208 PolarHBondContact O-N 3.07Å; R206-T208 PolarHBondContact O-OG1 3.44Å; R206-T208 VanDerWaalsContact O-OG1 3.11Å
207	V	29.4	Very low	30.7	Very low	147 Å²	147	140.2 Å²	140.2	89%	0.891	77%	0.771	S	S	*	*			trans	-64.5	120.7	171.6	-179.6	0	0	0	0	109
208	T	25.9	Very low	30.3	Very low	87 Å²	87	140.9 Å²	140.9	53%	0.534	78%	0.775	S	S	.	*			trans	-124	119.9	-172.6	-56.4	0	0	0	0	109.8	R206	R206-T208 PolarHBondContact O-N 3.07Å; R206-T208 PolarHBondContact O-OG1 3.44Å; R206-T208 VanDerWaalsContact O-OG1 3.11Å
209	I	30.8	Very low	30	Very low	170 Å²	170	142.2 Å²	142.2	87%	0.872	77%	0.774	S	S	*	*			trans	-132.5	116.9	159.7	-58.9	-177.3	0	0	0	108.5
210	S	25.5	Very low	29.8	Very low	91 Å²	91	136.3 Å²	136.3	64%	0.636	75%	0.752	S	S	*	*			trans	-122	134.9	172.6	55.9	0	0	0	0	109.1
211	Q	33.3	Very low	29.5	Very low	202 Å²	202	132.4 Å²	132.4	94%	0.944	74%	0.739	S	S	*	*			trans	-164.1	165.3	153.2	-112.3	160.7	39.9	0	0	111.5
212	S	25.8	Very low	29.5	Very low	104 Å²	104	129.2 Å²	129.2	73%	0.727	73%	0.73	S	S	*	*			trans	-151.4	157.8	-162.9	50.8	0	0	0	0	112.4
213	C	25.3	Very low	29.3	Very low	117 Å²	117	125.5 Å²	125.5	79%	0.791	72%	0.717	S	S	*	*			trans	70.3	153.1	171.1	-57.6	0	0	0	0	115.4
214	T	28.9	Very low	29.3	Very low	122 Å²	122	128.8 Å²	128.8	75%	0.748	72%	0.719	S	S	*	*			cis	-153.8	144.2	6.5	-13.9	0	0	0	0	113.2
215	S	29	Very low	29.3	Very low	116 Å²	116	128.4 Å²	128.4	81%	0.811	72%	0.723	S	S	*	*			trans	40.5	131.2	145.5	62.8	0	0	0	0	124.8
216	G	27.3	Very low	29.6	Very low	70 Å²	70	125.2 Å²	125.2	72%	0.722	71%	0.711	S	S	*	*				137.4	104	114.8	0	0	0	0	0	122.3
217	K	28.6	Very low	29.8	Very low	218 Å²	218	125.3 Å²	125.3	95%	0.948	72%	0.719	S	S	*	*			trans	59.9	156.3	146.7	-65.3	178.3	180	178.6	0	120
218	S	29.4	Very low	29.9	Very low	89 Å²	89	123.7 Å²	123.7	62%	0.622	71%	0.714	S	S	*	*			cis	-168.1	168.6	-32.4	-156.5	0	0	0	0	111.5
219	Q	30.4	Very low	30.2	Very low	134 Å²	134	128.1 Å²	128.1	63%	0.626	73%	0.729	S	S	*	*			trans	62.7	160.3	161.1	-73.4	163.7	-12.8	0	0	120.6
220	N	31	Very low	30.2	Very low	63 Å²	63	126.9 Å²	126.9	34%	0.337	73%	0.729	S	S	.	*			cis	-174.8	153.8	-42.2	-113	32.9	0	0	0	111.4	K131	K131-N220 PolarHBondContact NZ-OD1 2.96Å; K131-N220 CarbonylContact O-C 3.58Å; K131-N220 WeakPolarHBondContact O-CA 3.5Å
221	L	30.8	Very low	30.4	Very low	101 Å²	101	130.2 Å²	130.2	53%	0.529	74%	0.74	S	S	.	*			trans	69.1	153.3	151.9	-71.1	155.2	0	0	0	118.4	K131 E132	K131-L221 PolarHBondContact O-N 3Å; E132-L221 WeakPolarHBondContact OE1-CA 3.33Å; E132-L221 WeakPolarHBondContact OE1-CD2 3.49Å
222	S	31.2	Very low	30.4	Very low	87 Å²	87	127.7 Å²	127.7	61%	0.608	74%	0.738	S	S	*	*			cis	-157	131.7	-5.4	51.2	0	0	0	0	116.2	E132	E132-S222 VanDerWaalsContact CD-CA 3.48Å; E132-S222 VanDerWaalsContact OE2-CA 3.23Å; E132-S222 WeakPolarHBondContact OE2-CA 3.21Å
223	S	30.8	Very low	30.7	Very low	81 Å²	81	127.3 Å²	127.3	57%	0.566	74%	0.741	S	S	*	*				80.6	153	129.5	69.9	0	0	0	0	127.6	E132	E132-S223 PolarHBondContact OE2-N 3.43Å
224	F	30.3	Very low	31.1	Very low	190 Å²	190	127 Å²	127	83%	0.833	74%	0.741	S	S	*	*			trans	97.3	84.3	154	-72.6	-69.5	0	0	0	125.4
225	N	31.4	Very low	31.4	Very low	154 Å²	154	125.9 Å²	125.9	82%	0.824	74%	0.738	S	S	*	*				52.1	136	119.4	-138.5	29.4	0	0	0	124.9
226	P	37.6	Very low	31.7	Very low	103 Å²	103	128.1 Å²	128.1	67%	0.669	74%	0.739	S	S	*	*			trans	-123.2	168.7	-179.1	43.4	-32.9	0	0	0	117.4
227	H	32.3	Very low	32.1	Very low	186 Å²	186	129.4 Å²	129.4	86%	0.861	74%	0.735	S	S	*	*			trans	-163.4	168	161.8	-108.9	23.8	0	0	0	115.6
228	S	33	Very low	32.2	Very low	113 Å²	113	126.2 Å²	126.2	79%	0.79	73%	0.727	S	S	*	*			trans	66.8	126.3	-177.9	68.6	0	0	0	0	116.1
229	Q	31.2	Very low	32.4	Very low	180 Å²	180	129.8 Å²	129.8	84%	0.841	74%	0.738	S	S	*	*			cis	88.3	112.8	47.1	-78.5	-165.6	16.2	0	0	114.9
230	T	31.9	Very low	32.4	Very low	144 Å²	144	127.5 Å²	127.5	88%	0.883	74%	0.737	S	S	*	*				172.2	166	122.5	32.2	0	0	0	0	112.8
231	N	29.1	Very low	32.5	Very low	161 Å²	161	131.3 Å²	131.3	86%	0.861	76%	0.758	S	S	*	*			trans	-99.6	166.6	-179.3	-63.2	-53.3	0	0	0	112.8
232	V	33.2	Very low	32.5	Very low	148 Å²	148	131.7 Å²	131.7	90%	0.897	77%	0.768	S	S	*	*			trans	-173.5	158.1	131.5	141.9	0	0	0	0	109.5
233	A	31.8	Very low	32.6	Very low	97 Å²	97	131.9 Å²	131.9	80%	0.802	78%	0.776	S	S	*	*			trans	-142.6	151.5	-172.7	0	0	0	0	0	114.7
234	S	33.9	Very low	32.8	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	79%	0.791	S	S	*	*			trans	-176.4	164.1	169.8	50.5	0	0	0	0	111.2
235	S	34.7	Very low	32.9	Very low	98 Å²	98	131.8 Å²	131.8	69%	0.685	78%	0.781	S	S	*	*				-176.7	129.5	-53.6	48.7	0	0	0	0	112.2
236	L	35.5	Very low	33	Very low	162 Å²	162	132.1 Å²	132.1	85%	0.848	78%	0.782	S	S	*	*			trans	77	177.2	150.1	-57.7	169.1	0	0	0	118.5
237	P	36	Very low	32.9	Very low	97 Å²	97	131.1 Å²	131.1	63%	0.63	79%	0.79	S	S	*	*				-146.4	173.7	-80.5	46	-28	0	0	0	119
238	I	31.2	Very low	32.9	Very low	151 Å²	151	131.5 Å²	131.5	77%	0.774	79%	0.792	S	S	*	*			trans	47.6	129.1	140.1	-63.7	160.1	0	0	0	122
239	L	33.2	Very low	32.9	Very low	165 Å²	165	131.8 Å²	131.8	86%	0.864	79%	0.794	S	S	*	*				-167.2	169.2	126.1	-107.3	169	0	0	0	113.1
240	S	29.7	Very low	32.8	Very low	86 Å²	86	133 Å²	133	60%	0.601	80%	0.797	S	S	*	*			trans	-151.5	-178.4	-167.4	64.2	0	0	0	0	114.8
241	N	33.1	Very low	32.8	Very low	143 Å²	143	133.9 Å²	133.9	77%	0.765	79%	0.794	S	S	*	*			trans	99	158.5	167.8	-49.5	-11	0	0	0	116.4
242	S	31.8	Very low	32.7	Very low	108 Å²	108	133.6 Å²	133.6	76%	0.755	79%	0.793	S	S	*	*			cis	-173.5	141.2	-41.9	-93.2	0	0	0	0	112.6
243	A	33.3	Very low	32.7	Very low	92 Å²	92	132.7 Å²	132.7	76%	0.76	79%	0.787	S	S	*	*			trans	73.1	157.6	150.2	0	0	0	0	0	123.2
244	M	33.9	Very low	32.6	Very low	182 Å²	182	135.9 Å²	135.9	90%	0.897	79%	0.785	S	S	*	*			trans	74.7	149.5	164.4	-44.3	-152.2	88.1	0	0	118.2
245	S	33.6	Very low	32.4	Very low	87 Å²	87	135.1 Å²	135.1	61%	0.608	78%	0.78	S	S	*	*			cis	-162.7	153.2	-35	-153.1	0	0	0	0	110.1
246	D	34.2	Very low	32.2	Very low	161 Å²	161	139.9 Å²	139.9	86%	0.861	79%	0.791	S	S	*	*			trans	53.5	142.2	160.4	-59.1	-67	0	0	0	122.2
247	G	34.3	Very low	31.7	Very low	81 Å²	81	137.8 Å²	137.8	84%	0.835	79%	0.789	S	S	*	*			trans	160.4	101.8	168.4	0	0	0	0	0	115.5
248	H	32	Very low	31.6	Very low	195 Å²	195	139 Å²	139	90%	0.903	80%	0.797	S	S	*	*			trans	-80.5	137.2	174.1	-82.9	-86.7	0	0	0	113.1
249	S	32.8	Very low	31.5	Very low	119 Å²	119	140.7 Å²	140.7	83%	0.832	80%	0.802	S	S	*	*			trans	-170.2	156.2	131.2	45.3	0	0	0	0	112
250	K	29	Very low	31.4	Very low	206 Å²	206	138.4 Å²	138.4	90%	0.896	80%	0.799	S	S	*	*			trans	-102.7	127.6	174.7	-63.5	174.8	179.3	177.1	0	109.6
251	I	32.5	Very low	31.5	Very low	162 Å²	162	140.1 Å²	140.1	83%	0.831	81%	0.811	S	S	*	*			trans	-135.7	146.7	153.4	-62.4	-174	0	0	0	107.9	V253	I251-V253 HydrophobicContact CG2-CG2 4.2Å
252	N	26.6	Very low	31.3	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	81%	0.812	S	S	*	*			trans	-123.8	114.8	-170.1	-179.6	53.3	0	0	0	109.6
253	V	32.9	Very low	31.3	Very low	129 Å²	129	144.2 Å²	144.2	78%	0.782	82%	0.817	S	S	*	*			trans	-141	144.8	178.1	-172.8	0	0	0	0	110.3	I251	I251-V253 HydrophobicContact CG2-CG2 4.2Å
254	H	30.9	Very low	31	Very low	164 Å²	164	145.2 Å²	145.2	76%	0.759	81%	0.814	S	S	*	*			trans	-82.4	165.6	-176.6	-104.3	-90.3	0	0	0	114.3
255	S	28.8	Very low	31	Very low	96 Å²	96	145 Å²	145	67%	0.671	81%	0.81	S	S	*	*			trans	28.9	127.7	143.1	-45.4	0	0	0	0	118.5
256	E	31.4	Very low	31	Very low	197 Å²	197	146 Å²	146	92%	0.921	82%	0.817	S	S	*	*				-164.8	178	63.3	-80.4	-172.3	150.3	0	0	112
257	C	25	Very low	30.7	Very low	119 Å²	119	145.6 Å²	145.6	80%	0.804	82%	0.821	S	S	*	*			trans	-135	126.2	-176.2	-176.9	0	0	0	0	112.8
258	P	33.8	Very low	30.7	Very low	122 Å²	122	148.5 Å²	148.5	79%	0.792	82%	0.817	S	S	*	*			trans	-88.5	142.4	166.5	-0.5	19.8	0	0	0	112
259	Q	29.7	Very low	30.7	Very low	187 Å²	187	143.9 Å²	143.9	87%	0.874	81%	0.807	S	S	*	*			trans	-88.2	147.7	171.6	-60.3	172.6	-46	0	0	111.2
260	S	30.1	Very low	30.7	Very low	116 Å²	116	150 Å²	150	81%	0.811	81%	0.812	S	S	*	*				162.4	132.2	113.4	53.6	0	0	0	0	114.5
261	S	32.5	Very low	30.8	Very low	123 Å²	123	149.1 Å²	149.1	86%	0.86	81%	0.808	S	S	*	*				175.8	150.8	125.3	40.6	0	0	0	0	109
262	I	28	Very low	30.7	Very low	150 Å²	150	145.5 Å²	145.5	77%	0.769	80%	0.802	S	S	*	*			trans	-120.8	132.3	-172.5	-65.7	168.5	0	0	0	109	T264	I262-T264 HydrophobicContact CG2-CG2 3.9Å
263	H	32.3	Very low	30.8	Very low	186 Å²	186	144.4 Å²	144.4	86%	0.861	80%	0.801	S	S	*	*			trans	-127.1	122.7	159.1	-105.4	-74.1	0	0	0	110.1
264	T	27.2	Very low	31	Very low	113 Å²	113	142.7 Å²	142.7	69%	0.693	79%	0.791	S	S	*	*			trans	-103.3	114.2	-179.4	47.9	0	0	0	0	110.9	I262	I262-T264 HydrophobicContact CG2-CG2 3.9Å
265	H	34.2	Very low	31.3	Very low	177 Å²	177	140 Å²	140	82%	0.819	79%	0.786	S	S	*	*			trans	-147.5	146.3	163.3	-87.5	-74.5	0	0	0	111.8
266	S	32.2	Very low	32.4	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	78%	0.776	S	S	*	*			trans	41.4	111.6	171.5	-64.8	0	0	0	0	119.5	D268	S266-D268 PolarHBondContact O-N 3.28Å
267	T	29.3	Very low	33.7	Very low	153 Å²	153	140.2 Å²	140.2	94%	0.939	77%	0.773	S	S	*	*			trans	-74.4	96.2	156.4	48.3	0	0	0	0	110.1
268	D	34.1	Very low	35.9	Very low	143 Å²	143	137.5 Å²	137.5	77%	0.765	75%	0.75	S	S	*	*			trans	-138.7	165.4	171.7	-142.8	-32.9	0	0	0	112.2	S266 R270	S266-D268 PolarHBondContact O-N 3.28Å; D268-R270 PolarHBondContact O-N 3.48Å
269	S	31.4	Very low	37.8	Very low	98 Å²	98	133.7 Å²	133.7	69%	0.685	73%	0.733	S	S	*	*			trans	-40.5	109.3	-162.6	-168.8	0	0	0	0	116.9	K271	S269-K271 PolarHBondContact O-N 3.29Å
270	R	33	Very low	40.2	Very low	247 Å²	247	132.7 Å²	132.7	93%	0.932	73%	0.728	S	S	*	*			trans	-90.5	80.8	161.1	-72.6	-169.6	-179.5	-175.6	1.3	111	D268 A272	D268-R270 PolarHBondContact O-N 3.48Å; R270-A272 PolarHBondContact O-N 2.98Å; R270-A272 VanDerWaalsContact O-N 3.08Å
271	K	31	Very low	42.9	Very low	188 Å²	188	129.6 Å²	129.6	82%	0.817	70%	0.702	S	S	*	*			trans	-60.3	107.7	152.4	-89.7	-173.8	174.3	179.7	0	107.7	S269 T273	S269-K271 PolarHBondContact O-N 3.29Å; K271-T273 PolarHBondContact O-N 2.78Å
272	A	29.9	Very low	45.6	Very low	85 Å²	85	125 Å²	125	70%	0.702	67%	0.668	S	S	*	*			trans	-68.4	113.8	169.6	0	0	0	0	0	108.6	R270 V274	R270-A272 PolarHBondContact O-N 2.98Å; R270-A272 VanDerWaalsContact O-N 3.08Å; A272-V274 VanDerWaalsContact C-N 3.31Å; A272-V274 PolarHBondContact O-N 2.93Å
273	T	29.7	Very low	48.5	Very low	131 Å²	131	120.3 Å²	120.3	80%	0.804	65%	0.646	S	S	*	*			trans	-70.4	88.3	175.6	-51.6	0	0	0	0	109.2	K271 T275	K271-T273 PolarHBondContact O-N 2.78Å; T273-T275 PolarHBondContact O-N 2.75Å
274	V	35.6	Very low	51.2	Low	94 Å²	94	111.5 Å²	111.5	57%	0.57	61%	0.605	S	S	*	*			trans	-68.1	96.9	177	-176.2	0	0	0	0	108.6	A272 H276	A272-V274 VanDerWaalsContact C-N 3.31Å; A272-V274 PolarHBondContact O-N 2.93Å; V274-H276 PolarHBondContact O-CD2 3.28Å; V274-H276 VanDerWaalsContact O-CD2 3.26Å; V274-H276 PolarHBondContact O-N 2.93Å
275	T	38.9	Very low	54.1	Low	108 Å²	108	106.9 Å²	106.9	66%	0.663	58%	0.579	S	S	*	*			trans	-68.6	88.1	164.5	43.1	0	0	0	0	108	T273 K277	T273-T275 PolarHBondContact O-N 2.75Å; T275-K277 VanDerWaalsContact C-N 3.29Å; T275-K277 PolarHBondContact O-N 2.95Å
276	H	51.5	Low	56.6	Low	101 Å²	101	98.8 Å²	98.8	47%	0.468	54%	0.543	S	S	.	.			trans	-60.8	90.3	176.2	-73.7	-85	0	0	0	109.9	V274 I278 P298	V274-H276 PolarHBondContact O-CD2 3.28Å; V274-H276 VanDerWaalsContact O-CD2 3.26Å; V274-H276 PolarHBondContact O-N 2.93Å; H276-I278 PolarHBondContact O-N 3.46Å; H276-I278 VanDerWaalsContact O-N 3.11Å; H276-P298 HydrophobicContact CB-CB 4.44Å
277	K	59.2	Low	59.1	Low	196 Å²	196	98.2 Å²	98.2	85%	0.852	54%	0.535	S	S	*	.			trans	-57	116.7	166	-73.5	-177.1	178.6	176.4	0	107.1	T275 G279	T275-K277 VanDerWaalsContact C-N 3.29Å; T275-K277 PolarHBondContact O-N 2.95Å; K277-G279 PolarHBondContact O-N 3.01Å
278	I	70.3	Confident	61.7	Low	62 Å²	62	98.4 Å²	98.4	32%	0.318	53%	0.53	S	S	.	.			trans	-59	125.2	176.1	-53.7	-179.2	0	0	0	107.5	H276 L281 P294 L389 L398	H276-I278 PolarHBondContact O-N 3.46Å; H276-I278 VanDerWaalsContact O-N 3.11Å; I278-L281 HydrophobicContact CG2-CD2 3.87Å; I278-P294 HydrophobicContact CG2-CB 4.35Å; I278-P294 HydrophobicContact CG2-CG 3.63Å; I278-L389 HydrophobicContact CD1-CD2 4.12Å; I278-L398 HydrophobicContact CD1-CD1 3.98Å; I278-L398 HydrophobicContact CG1-CD1 4.41Å
279	G	72.9	Confident	64.1	Low	42 Å²	42	93.8 Å²	93.8	43%	0.433	52%	0.516	S	S	.	.			trans	-68.4	-178.8	-178.9	0	0	0	0	0	112.9	K277 L281	K277-G279 PolarHBondContact O-N 3.01Å; G279-L281 PolarHBondContact O-N 3.2Å
280	Q	80.9	Confident	66.7	Low	166 Å²	166	93.3 Å²	93.3	78%	0.776	51%	0.513	S	S	*	.			trans	-54.9	127	177.7	-170.2	-179.9	11.5	0	0	111.1	I282 A295	Q280-I282 PolarHBondContact O-N 3.24Å; Q280-A295 PolarHBondContact O-N 2.88Å
281	L	87.5	Confident	69.4	Low	50 Å²	50	83.3 Å²	83.3	26%	0.262	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	114.7	-178.1	-64.2	179.8	0	0	0	111	I278 G279 R292 L293 P294 L389	I278-L281 HydrophobicContact CG2-CD2 3.87Å; G279-L281 PolarHBondContact O-N 3.2Å; L281-R292 HydrophobicContact CB-CB 4.18Å; L281-R292 PolarHBondContact O-NH2 3.18Å; L281-L293 CarbonylContact C-O 3.5Å; L281-L293 WeakPolarHBondContact CA-O 3.38Å; L281-P294 HydrophobicContact CD2-CG 4.01Å; L281-L389 HydrophobicContact CD1-CD2 4.09Å; L281-L389 HydrophobicContact CD2-CD1 3.94Å; L281-L389 HydrophobicContact CD2-CD2 4.12Å
282	I	88.3	Confident	72.1	Confident	27 Å²	27	80.5 Å²	80.5	14%	0.138	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	142.5	169	49.2	170.1	0	0	0	110	Q280 L284 R292 L293 A295 I319 L321	Q280-I282 PolarHBondContact O-N 3.24Å; I282-L284 HydrophobicContact CD1-CD2 4.21Å; I282-R292 VanDerWaalsContact O-CA 3.25Å; I282-R292 WeakPolarHBondContact O-CA 3.37Å; I282-L293 WeakPolarHBondContact CG1-O 3.3Å; I282-L293 PolarHBondContact N-O 3.23Å; I282-L293 PolarHBondContact O-N 2.68Å; I282-A295 HydrophobicContact CD1-CB 4.16Å; I282-A295 HydrophobicContact CG1-CB 4.27Å; I282-A295 HydrophobicContact CG2-CB 3.99Å; I282-I319 HydrophobicContact CD1-CB 4.1Å; I282-I319 HydrophobicContact CD1-CD1 4.24Å; I282-I319 HydrophobicContact CD1-CG2 4.38Å; I282-L321 HydrophobicContact CB-CD1 4.35Å; I282-L321 HydrophobicContact CD1-CD1 3.81Å; I282-L321 HydrophobicContact CD1-CG 4.36Å
283	T	89.1	Confident	75	Confident	52 Å²	52	76.5 Å²	76.5	32%	0.319	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132	175.9	-56.6	0	0	0	0	109.5	F291 R292	T283-F291 WeakPolarHBondContact CA-O 3.27Å; T283-R292 PolarHBondContact OG1-NE 2.84Å; T283-R292 VanDerWaalsContact OG1-NE 3.15Å
284	L	88.9	Confident	77.8	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.8	-175.6	-61.7	176	0	0	0	109.6	I282 S290 F291 L293 I319 L321 Y477	I282-L284 HydrophobicContact CD1-CD2 4.21Å; L284-S290 CarbonylContact O-C 3.25Å; L284-S290 WeakPolarHBondContact O-CA 3.47Å; L284-S290 WeakPolarHBondContact O-CB 3.3Å; L284-F291 HydrophobicContact CB-CD1 4.27Å; L284-F291 HydrophobicContact CB-CD2 4.17Å; L284-F291 HydrophobicContact CB-CE1 3.84Å; L284-F291 HydrophobicContact CB-CE2 3.74Å; L284-F291 HydrophobicContact CB-CG 4.42Å; L284-F291 HydrophobicContact CB-CZ 3.54Å; L284-F291 HydrophobicContact CD1-CD2 4.35Å; L284-F291 HydrophobicContact CD1-CE2 3.54Å; L284-F291 HydrophobicContact CD1-CZ 3.86Å; L284-F291 HydrophobicContact CG-CE2 4.23Å; L284-F291 HydrophobicContact CG-CZ 4.35Å; L284-F291 PolarHBondContact N-O 3.34Å; L284-F291 PolarHBondContact O-N 3.33Å; L284-L293 HydrophobicContact CD1-CB 4.01Å; L284-L293 HydrophobicContact CD1-CD1 4Å; L284-L293 HydrophobicContact CD1-CG 4.26Å; L284-I319 HydrophobicContact CD1-CD1 3.83Å; L284-L321 HydrophobicContact CD2-CD1 4Å; L284-L321 HydrophobicContact CD2-CD2 3.71Å; L284-L321 HydrophobicContact CD2-CG 4.33Å; L284-Y477 HydrophobicContact CB-CE2 3.99Å; L284-Y477 HydrophobicContact CD1-CD2 4.49Å; L284-Y477 HydrophobicContact CD2-CD1 4.23Å; L284-Y477 HydrophobicContact CD2-CE1 3.83Å; L284-Y477 HydrophobicContact CD2-CE2 4.29Å; L284-Y477 HydrophobicContact CG-CE2 4.5Å
285	A	87.5	Confident	80.3	Confident	16 Å²	16	67.3 Å²	67.3	13%	0.132	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.5	174.5	0	0	0	0	0	109.5	F291 F327 Y475 Y477	A285-F291 WeakPolarHBondContact O-CE1 3.42Å; A285-F327 HydrophobicContact CB-CD1 3.86Å; A285-F327 HydrophobicContact CB-CE1 3.84Å; A285-F327 HydrophobicContact CB-CG 4.5Å; A285-F327 HydrophobicContact CB-CZ 4.46Å; A285-Y475 HydrophobicContact CB-CD1 4.3Å; A285-Y475 HydrophobicContact CB-CE1 4.37Å; A285-Y477 PolarHBondContact N-OH 3.26Å; A285-Y477 WeakPolarHBondContact O-CE2 3.36Å; A285-Y477 PolarHBondContact O-OH 3.21Å
286	G	86.5	Confident	82.7	Confident	8 Å²	8	64.9 Å²	64.9	8%	0.082	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	-178.5	175.9	0	0	0	0	0	111.3	D288 G289 Y475	G286-D288 VanDerWaalsContact C-N 3.34Å; G286-D288 PolarHBondContact O-N 2.62Å; G286-G289 PolarHBondContact N-O 2.78Å; G286-G289 PolarHBondContact O-N 3.23Å; G286-G289 VanDerWaalsContact O-O 3.14Å; G286-Y475 VanDerWaalsContact C-CD1 3.48Å; G286-Y475 WeakPolarHBondContact O-CE1 3.39Å
287	V	84.9	Confident	84.6	Confident	95 Å²	95	60.2 Å²	60.2	58%	0.576	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-46.3	-179.4	-177.2	0	0	0	0	110.7	G289 P377 Y475	V287-G289 VanDerWaalsContact C-N 3.26Å; V287-G289 PolarHBondContact O-N 2.92Å; V287-P377 HydrophobicContact CG2-CB 4.37Å; V287-Y475 HydrophobicContact CG2-CD2 4.01Å; V287-Y475 HydrophobicContact CG2-CE2 4.36Å
288	D	83.7	Confident	85.8	Confident	157 Å²	157	52 Å²	52	84%	0.84	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	28.4	-178.6	-50.4	-63.4	0	0	0	113.6	G286	G286-D288 VanDerWaalsContact C-N 3.34Å; G286-D288 PolarHBondContact O-N 2.62Å
289	G	84.7	Confident	86.4	Confident	46 Å²	46	50.1 Å²	50.1	47%	0.474	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.2	-109.2	177.3	0	0	0	0	0	113.6	G286 V287	G286-G289 PolarHBondContact N-O 2.78Å; G286-G289 PolarHBondContact O-N 3.23Å; G286-G289 VanDerWaalsContact O-O 3.14Å; V287-G289 VanDerWaalsContact C-N 3.26Å; V287-G289 PolarHBondContact O-N 2.92Å
290	S	87	Confident	87.1	Confident	89 Å²	89	48.5 Å²	48.5	62%	0.622	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.5	127.3	-180	70.5	0	0	0	0	113.2	L284	L284-S290 CarbonylContact O-C 3.25Å; L284-S290 WeakPolarHBondContact O-CA 3.47Å; L284-S290 WeakPolarHBondContact O-CB 3.3Å
291	F	88.4	Confident	87.4	Confident	37 Å²	37	46.2 Å²	46.2	16%	0.162	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	175	172.7	64.1	-81.9	0	0	0	110.5	T283 L284 A285 L293 C380 V384 Y477	T283-F291 WeakPolarHBondContact CA-O 3.27Å; L284-F291 HydrophobicContact CB-CD1 4.27Å; L284-F291 HydrophobicContact CB-CD2 4.17Å; L284-F291 HydrophobicContact CB-CE1 3.84Å; L284-F291 HydrophobicContact CB-CE2 3.74Å; L284-F291 HydrophobicContact CB-CG 4.42Å; L284-F291 HydrophobicContact CB-CZ 3.54Å; L284-F291 HydrophobicContact CD1-CD2 4.35Å; L284-F291 HydrophobicContact CD1-CE2 3.54Å; L284-F291 HydrophobicContact CD1-CZ 3.86Å; L284-F291 HydrophobicContact CG-CE2 4.23Å; L284-F291 HydrophobicContact CG-CZ 4.35Å; L284-F291 PolarHBondContact N-O 3.34Å; L284-F291 PolarHBondContact O-N 3.33Å; A285-F291 WeakPolarHBondContact O-CE1 3.42Å; F291-L293 HydrophobicContact CD2-CD1 4.44Å; F291-L293 HydrophobicContact CD2-CG 4.08Å; F291-L293 HydrophobicContact CE2-CD1 3.8Å; F291-L293 HydrophobicContact CE2-CG 3.93Å; F291-C380 HydrophobicContact CE1-CB 4.48Å; F291-C380 HydrophobicContact CE2-CB 3.8Å; F291-C380 HydrophobicContact CZ-CB 3.61Å; F291-V384 HydrophobicContact CB-CG2 4.23Å; F291-V384 HydrophobicContact CD2-CG2 3.53Å; F291-V384 HydrophobicContact CE2-CG2 4.27Å; F291-V384 HydrophobicContact CG-CG2 4.23Å; F291-Y477 HydrophobicContact CZ-CD2 4.49Å; F291-Y477 HydrophobicContact CZ-CE2 4.21Å
292	R	88.9	Confident	87.6	Confident	129 Å²	129	44.3 Å²	44.3	49%	0.487	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.1	176.8	-50.8	-170	78.4	-175.9	0.1	110.4	L281 I282 T283 L389	L281-R292 HydrophobicContact CB-CB 4.18Å; L281-R292 PolarHBondContact O-NH2 3.18Å; I282-R292 VanDerWaalsContact O-CA 3.25Å; I282-R292 WeakPolarHBondContact O-CA 3.37Å; T283-R292 PolarHBondContact OG1-NE 2.84Å; T283-R292 VanDerWaalsContact OG1-NE 3.15Å; R292-L389 VanDerWaalsContact O-CD1 3.23Å; R292-L389 WeakPolarHBondContact O-CD1 3.39Å
293	L	89.7	Confident	87.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	160.5	174.4	-79.9	-178.3	0	0	0	110.2	L281 I282 L284 F291 I319 L383 V384 Y387 L389	L281-L293 CarbonylContact C-O 3.5Å; L281-L293 WeakPolarHBondContact CA-O 3.38Å; I282-L293 WeakPolarHBondContact CG1-O 3.3Å; I282-L293 PolarHBondContact N-O 3.23Å; I282-L293 PolarHBondContact O-N 2.68Å; L284-L293 HydrophobicContact CD1-CB 4.01Å; L284-L293 HydrophobicContact CD1-CD1 4Å; L284-L293 HydrophobicContact CD1-CG 4.26Å; F291-L293 HydrophobicContact CD2-CD1 4.44Å; F291-L293 HydrophobicContact CD2-CG 4.08Å; F291-L293 HydrophobicContact CE2-CD1 3.8Å; F291-L293 HydrophobicContact CE2-CG 3.93Å; L293-I319 HydrophobicContact CB-CD1 4.28Å; L293-I319 HydrophobicContact CD1-CD1 4.01Å; L293-L383 HydrophobicContact CD1-CB 4.26Å; L293-L383 HydrophobicContact CD1-CD1 4.41Å; L293-L383 HydrophobicContact CD2-CB 3.85Å; L293-V384 HydrophobicContact CD2-CB 4.47Å; L293-V384 HydrophobicContact CD2-CG2 3.66Å; L293-V384 HydrophobicContact CG-CG2 4.02Å; L293-Y387 HydrophobicContact CD2-CD2 3.99Å; L293-Y387 HydrophobicContact CD2-CE2 4.45Å; L293-L389 HydrophobicContact CD2-CD1 4.21Å
294	P	89	Confident	87.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	141.3	168.9	-20.6	35.8	0	0	0	110.9	I278 L281 V296 L297 Y387	I278-P294 HydrophobicContact CG2-CB 4.35Å; I278-P294 HydrophobicContact CG2-CG 3.63Å; L281-P294 HydrophobicContact CD2-CG 4.01Å; P294-V296 WeakPolarHBondContact CB-O 3.31Å; P294-L297 WeakPolarHBondContact O-CD2 3.39Å; P294-Y387 HydrophobicContact CG-CD2 4.15Å; P294-Y387 HydrophobicContact CG-CE2 4.31Å; P294-Y387 HydrophobicContact CG-CG 4.49Å
295	A	87.8	Confident	87.8	Confident	32 Å²	32	55 Å²	55	26%	0.264	31%	0.309	S	S	.	.	S	Bend	trans	-64.7	-40.7	175.8	0	0	0	0	0	112.5	Q280 I282 Q318 I319	Q280-A295 PolarHBondContact O-N 2.88Å; I282-A295 HydrophobicContact CD1-CB 4.16Å; I282-A295 HydrophobicContact CG1-CB 4.27Å; I282-A295 HydrophobicContact CG2-CB 3.99Å; A295-Q318 CarbonylContact O-C 3.58Å; A295-Q318 WeakPolarHBondContact O-CA 3.19Å; A295-Q318 VanDerWaalsContact O-CB 3.28Å; A295-Q318 WeakPolarHBondContact O-CB 3.33Å; A295-I319 PolarHBondContact O-N 2.85Å
296	V	90.9	Very high	88.1	Confident	57 Å²	57	55 Å²	55	35%	0.345	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-103.2	122	167.3	177.9	0	0	0	0	107.1	P294 P298 P316 P317 Q318	P294-V296 WeakPolarHBondContact CB-O 3.31Å; V296-P298 VanDerWaalsContact O-CD 3.22Å; V296-P298 WeakPolarHBondContact O-CD 3.38Å; V296-P316 HydrophobicContact CG1-CB 3.82Å; V296-P316 HydrophobicContact CG1-CG 3.52Å; V296-P317 CarbonylContact C-O 3.59Å; V296-P317 WeakPolarHBondContact CA-O 3.39Å; V296-Q318 HydrophobicContact CG2-CB 4.11Å
297	L	90.1	Very high	88.4	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.016	30%	0.304	C	S	.	.			trans	-87.7	104.9	-171.1	-61.1	172.5	0	0	0	110.8	P294 G299 F300 P317 I319 L375 L383 Y387 V479	P294-L297 WeakPolarHBondContact O-CD2 3.39Å; L297-G299 PolarHBondContact O-N 3.17Å; L297-F300 HydrophobicContact CB-CB 3.57Å; L297-F300 HydrophobicContact CB-CG 4.23Å; L297-F300 HydrophobicContact CD1-CB 4.32Å; L297-F300 HydrophobicContact CD1-CD2 3.95Å; L297-F300 HydrophobicContact CD1-CE2 4.39Å; L297-F300 HydrophobicContact CD1-CG 4.07Å; L297-F300 PolarHBondContact O-N 2.67Å; L297-P317 PolarHBondContact N-O 2.86Å; L297-I319 HydrophobicContact CD1-CD1 4.47Å; L297-I319 HydrophobicContact CD1-CG1 4.07Å; L297-I319 HydrophobicContact CD2-CD1 4.17Å; L297-I319 HydrophobicContact CD2-CG1 4.42Å; L297-I319 HydrophobicContact CG-CG1 4.32Å; L297-L375 HydrophobicContact CD1-CD1 4.32Å; L297-L383 HydrophobicContact CD1-CD1 4.29Å; L297-Y387 HydrophobicContact CD2-CE2 4.1Å; L297-V479 HydrophobicContact CD1-CG2 3.82Å
298	P	85.3	Confident	88.8	Confident	24 Å²	24	52.5 Å²	52.5	16%	0.156	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	127.9	-175.5	-17	32.9	0	0	0	110.9	H276 V296 F300 Y387 L403	H276-P298 HydrophobicContact CB-CB 4.44Å; V296-P298 VanDerWaalsContact O-CD 3.22Å; V296-P298 WeakPolarHBondContact O-CD 3.38Å; P298-F300 PolarHBondContact O-N 2.64Å; P298-F300 VanDerWaalsContact O-N 3.15Å; P298-Y387 HydrophobicContact CB-CE1 4.49Å; P298-Y387 HydrophobicContact CG-CE1 4.49Å; P298-Y387 VanDerWaalsContact O-CE1 3.27Å; P298-Y387 WeakPolarHBondContact O-CE1 3.45Å; P298-Y387 PolarHBondContact O-OH 3.14Å; P298-L403 WeakPolarHBondContact O-CD2 3.4Å
299	G	82.1	Confident	89.3	Confident	23 Å²	23	51 Å²	51	24%	0.237	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	15.3	-179.1	0	0	0	0	0	115.3	L297 H301	L297-G299 PolarHBondContact O-N 3.17Å; G299-H301 PolarHBondContact O-CD2 2.78Å
300	F	87.8	Confident	89.8	Confident	7 Å²	7	52.9 Å²	52.9	3%	0.031	27%	0.271	C	S	.	.			trans	-69	131.4	160.2	179.4	-84.9	0	0	0	108.2	L297 P298 F302 P317 A373 L375 L383 I406 A409 V479	L297-F300 HydrophobicContact CB-CB 3.57Å; L297-F300 HydrophobicContact CB-CG 4.23Å; L297-F300 HydrophobicContact CD1-CB 4.32Å; L297-F300 HydrophobicContact CD1-CD2 3.95Å; L297-F300 HydrophobicContact CD1-CE2 4.39Å; L297-F300 HydrophobicContact CD1-CG 4.07Å; L297-F300 PolarHBondContact O-N 2.67Å; P298-F300 PolarHBondContact O-N 2.64Å; P298-F300 VanDerWaalsContact O-N 3.15Å; F300-F302 HydrophobicContact CE1-CD2 4.32Å; F300-F302 HydrophobicContact CE1-CE2 4.22Å; F300-P317 HydrophobicContact CB-CB 4.24Å; F300-P317 HydrophobicContact CD1-CB 3.48Å; F300-P317 VanDerWaalsContact CD1-CB 3.48Å; F300-P317 HydrophobicContact CD1-CG 3.82Å; F300-P317 HydrophobicContact CE1-CB 4.2Å; F300-P317 HydrophobicContact CG-CB 4.21Å; F300-P317 WeakPolarHBondContact O-CG 3.39Å; F300-A373 HydrophobicContact CZ-CB 4.31Å; F300-L375 HydrophobicContact CE2-CD2 3.74Å; F300-L375 HydrophobicContact CZ-CD2 4.17Å; F300-L383 HydrophobicContact CD2-CD1 4.25Å; F300-L383 HydrophobicContact CD2-CD2 4.16Å; F300-L383 HydrophobicContact CE2-CD1 4.37Å; F300-I406 HydrophobicContact CD2-CG2 4.44Å; F300-A409 HydrophobicContact CE1-CB 3.99Å; F300-A409 HydrophobicContact CE2-CB 4.11Å; F300-A409 HydrophobicContact CZ-CB 3.38Å; F300-V479 HydrophobicContact CD1-CG1 4.39Å; F300-V479 HydrophobicContact CE1-CG1 3.91Å; F300-V479 HydrophobicContact CZ-CG1 4.36Å
301	H	87.5	Confident	90.2	Very high	118 Å²	118	52.3 Å²	52.3	55%	0.546	26%	0.26	S	S	.	.			trans	-128.1	138.2	179.2	-70.1	-79.6	0	0	0	111	G299 L408 A409	G299-H301 PolarHBondContact O-CD2 2.78Å; H301-L408 HydrophobicContact CB-CD2 3.7Å; H301-A409 PolarHBondContact O-N 3.4Å; H301-A409 VanDerWaalsContact O-N 3.15Å
302	F	91.8	Very high	90.5	Very high	11 Å²	11	53.4 Å²	53.4	5%	0.048	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-75.6	144.8	167.3	-70.6	-102.3	0	0	0	109.2	F300 E304 P317 R371 F372 A373 A409 V479 Y483	F300-F302 HydrophobicContact CE1-CD2 4.32Å; F300-F302 HydrophobicContact CE1-CE2 4.22Å; F302-E304 PolarHBondContact O-N 3.46Å; F302-P317 HydrophobicContact CD2-CG 4.37Å; F302-P317 HydrophobicContact CE2-CB 4.34Å; F302-P317 HydrophobicContact CE2-CG 4.06Å; F302-R371 VanDerWaalsContact CB-CZ 3.49Å; F302-R371 VanDerWaalsContact CB-NH1 3.3Å; F302-R371 HydrophobicContact CD1-CB 3.84Å; F302-R371 HydrophobicContact CE1-CB 3.56Å; F302-R371 HydrophobicContact CE2-CB 4.27Å; F302-R371 HydrophobicContact CG-CB 4.3Å; F302-R371 HydrophobicContact CZ-CB 3.79Å; F302-F372 VanDerWaalsContact CE1-C 3.49Å; F302-A373 HydrophobicContact CD1-CB 4.14Å; F302-A373 HydrophobicContact CE1-CB 3.54Å; F302-A373 HydrophobicContact CZ-CB 4.14Å; F302-A409 CarbonylContact C-O 3.55Å; F302-A409 WeakPolarHBondContact CA-O 3.08Å; F302-V479 HydrophobicContact CZ-CG1 4.34Å; F302-Y483 HydrophobicContact CD2-CE2 4.16Å; F302-Y483 WeakPolarHBondContact CD2-OH 3.42Å; F302-Y483 HydrophobicContact CE2-CE2 4.18Å; F302-Y483 WeakPolarHBondContact CE2-OH 3.37Å
303	K	89.4	Confident	90.7	Very high	93 Å²	93	50.1 Å²	50.1	40%	0.404	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-49.6	130.9	172.2	-172.3	169.9	179.2	170.8	0	110.7	R371 L408 A409 E410	K303-R371 VanDerWaalsContact O-CZ 3.32Å; K303-R371 PolarHBondContact O-NH1 2.88Å; K303-R371 PolarHBondContact O-NH2 2.88Å; K303-L408 HydrophobicContact CB-CB 4.22Å; K303-A409 PolarHBondContact N-O 3.35Å; K303-E410 HydrophobicContact CD-CG 3.88Å; K303-E410 WeakPolarHBondContact CD-OE1 3.46Å; K303-E410 IonicContact NZ-OE1 3.75Å; K303-E410 PolarHBondContact NZ-OE1 3.18Å
304	E	89.4	Confident	91	Very high	176 Å²	176	51.1 Å²	51.1	82%	0.822	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-67.3	163.2	180	-60.9	-158	161	0	0	111.5	F302	F302-E304 PolarHBondContact O-N 3.46Å
305	S	91.3	Very high	91.3	Very high	35 Å²	35	52 Å²	52	25%	0.245	27%	0.272	C	S	.	.			trans	-145	124.1	-179.4	177.8	0	0	0	0	108.8	F307 F308	S305-F307 PolarHBondContact O-N 3.44Å; S305-F307 VanDerWaalsContact O-N 3.09Å; S305-F308 PolarHBondContact O-N 3.23Å
306	P	93.8	Very high	91.6	Very high	14 Å²	14	51.7 Å²	51.7	9%	0.091	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.7	-173.3	24.5	-35.4	0	0	0	112.4	F308 R488 L493 W596 Y607	P306-F308 PolarHBondContact O-N 3.03Å; P306-F308 VanDerWaalsContact O-N 3.17Å; P306-R488 VanDerWaalsContact O-CD 3.31Å; P306-R488 WeakPolarHBondContact O-CD 3.13Å; P306-L493 HydrophobicContact CB-CD1 4.24Å; P306-L493 HydrophobicContact CB-CD2 4Å; P306-L493 WeakPolarHBondContact O-CD2 3.31Å; P306-W596 HydrophobicContact CG-CH2 3.77Å; P306-W596 HydrophobicContact CG-CZ2 3.83Å; P306-Y607 HydrophobicContact CB-CD1 3.51Å; P306-Y607 HydrophobicContact CB-CD2 4.21Å; P306-Y607 HydrophobicContact CB-CE1 3.93Å; P306-Y607 HydrophobicContact CB-CG 3.66Å; P306-Y607 HydrophobicContact CG-CD1 4.2Å; P306-Y607 HydrophobicContact CG-CD2 4.38Å; P306-Y607 HydrophobicContact CG-CG 3.87Å
307	F	94.1	Very high	91.8	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.026	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.1	176.8	-55.1	-74.5	0	0	0	114.7	S305 R487 R488 L493 L587 N590 E591 W596	S305-F307 PolarHBondContact O-N 3.44Å; S305-F307 VanDerWaalsContact O-N 3.09Å; F307-R487 CarbonylContact O-C 3.55Å; F307-R487 WeakPolarHBondContact O-CA 3.34Å; F307-R488 PolarHBondContact O-N 2.88Å; F307-L493 HydrophobicContact CD1-CD1 3.46Å; F307-L493 VanDerWaalsContact CD1-CD1 3.46Å; F307-L493 HydrophobicContact CE1-CD1 3.56Å; F307-L493 HydrophobicContact CG-CD1 4.2Å; F307-L493 HydrophobicContact CZ-CD1 4.37Å; F307-L587 HydrophobicContact CE1-CB 4.4Å; F307-L587 HydrophobicContact CE1-CD2 4.46Å; F307-L587 HydrophobicContact CZ-CD2 4.29Å; F307-L587 WeakPolarHBondContact CZ-O 3.36Å; F307-N590 HydrophobicContact CZ-CB 4.45Å; F307-E591 HydrophobicContact CD1-CB 4.14Å; F307-E591 HydrophobicContact CD1-CG 4Å; F307-E591 HydrophobicContact CD2-CG 4.48Å; F307-E591 HydrophobicContact CE1-CB 3.71Å; F307-E591 HydrophobicContact CE1-CG 4.1Å; F307-E591 HydrophobicContact CE2-CB 4.13Å; F307-E591 HydrophobicContact CG-CG 4.21Å; F307-E591 HydrophobicContact CZ-CB 3.71Å; F307-E591 HydrophobicContact CZ-CG 4.39Å; F307-W596 HydrophobicContact CE2-CH2 4.03Å; F307-W596 AromaticContact CE2-CZ2 3.88Å; F307-W596 HydrophobicContact CE2-CZ2 3.88Å; F307-W596 HydrophobicContact CZ-CH2 4.21Å; F307-W596 HydrophobicContact CZ-CZ2 4.49Å
308	F	93.5	Very high	91.9	Very high	45 Å²	45	49.6 Å²	49.6	20%	0.197	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	115.6	-178.4	-63.9	-83.1	0	0	0	111.9	S305 P306 I369 P447 M485 R487	S305-F308 PolarHBondContact O-N 3.23Å; P306-F308 PolarHBondContact O-N 3.03Å; P306-F308 VanDerWaalsContact O-N 3.17Å; F308-I369 HydrophobicContact CD1-CG1 4.32Å; F308-I369 HydrophobicContact CE1-CD1 4.02Å; F308-I369 HydrophobicContact CE1-CG1 4.13Å; F308-P447 HydrophobicContact CE2-CG 4.43Å; F308-M485 HydrophobicContact CB-CB 4.39Å; F308-M485 HydrophobicContact CB-SD 3.88Å; F308-M485 HydrophobicContact CD1-CB 4.14Å; F308-M485 HydrophobicContact CD1-SD 4.15Å; F308-M485 HydrophobicContact CG-SD 4.14Å; F308-R487 HydrophobicContact CD1-CB 4.5Å; F308-R487 HydrophobicContact CE1-CB 4.36Å; F308-R487 HydrophobicContact CE1-CG 4.34Å
309	K	93.7	Very high	92.2	Very high	125 Å²	125	48.7 Å²	48.7	54%	0.543	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	119.7	164.8	-177.7	179.3	177.8	-177.9	0	108.9	M485 R486	K309-M485 CarbonylContact O-C 3.53Å; K309-M485 WeakPolarHBondContact O-CA 3.48Å; K309-R486 PolarHBondContact N-O 2.77Å; K309-R486 PolarHBondContact O-N 3.3Å
310	L	94.4	Very high	92.7	Very high	87 Å²	87	47.6 Å²	47.6	46%	0.455	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	139.2	170.8	-177.6	63.2	0	0	0	110.8	D312 V313 Y483 M485	L310-D312 WeakPolarHBondContact CD1-O 3.48Å; L310-V313 HydrophobicContact CD2-CG2 4.42Å; L310-Y483 HydrophobicContact CD1-CD1 3.73Å; L310-Y483 HydrophobicContact CD1-CG 4.29Å; L310-M485 HydrophobicContact CD1-CE 4.18Å; L310-M485 HydrophobicContact CD1-CG 4.31Å
311	I	94.8	Very high	92.5	Very high	76 Å²	76	48.5 Å²	48.5	39%	0.39	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-52	169.8	-65.3	169.7	0	0	0	109.4	T349 V366 L484 R486	I311-T349 HydrophobicContact CD1-CG2 4.4Å; I311-V366 HydrophobicContact CD1-CB 4.24Å; I311-V366 HydrophobicContact CD1-CG1 3.75Å; I311-V366 HydrophobicContact CD1-CG2 3.42Å; I311-V366 VanDerWaalsContact CD1-CG2 3.42Å; I311-L484 HydrophobicContact CB-CB 4.39Å; I311-L484 HydrophobicContact CB-CD2 4.44Å; I311-L484 HydrophobicContact CB-CG 4.31Å; I311-L484 WeakPolarHBondContact CB-O 3.48Å; I311-L484 HydrophobicContact CG2-CD2 4Å; I311-L484 HydrophobicContact CG2-CG 4.41Å; I311-L484 PolarHBondContact N-O 3.21Å; I311-R486 HydrophobicContact CD1-CB 4.05Å
312	D	95.1	Very high	91.8	Very high	60 Å²	60	43 Å²	43	32%	0.321	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	159.6	-174	-168.1	16.5	0	0	0	112.3	L310 Q346 Y483 L484	L310-D312 WeakPolarHBondContact CD1-O 3.48Å; D312-Q346 PolarHBondContact OD2-NE2 3.01Å; D312-Y483 WeakPolarHBondContact O-CA 3.37Å; D312-L484 HydrophobicContact CB-CB 3.94Å; D312-L484 HydrophobicContact CB-CD2 4.28Å; D312-L484 PolarHBondContact N-O 2.86Å; D312-L484 PolarHBondContact O-N 3.23Å
313	V	94.5	Very high	90.5	Very high	61 Å²	61	46.8 Å²	46.8	37%	0.37	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	95.7	-179.5	-175.9	0	0	0	0	109.4	L310 P316 Y483	L310-V313 HydrophobicContact CD2-CG2 4.42Å; V313-P316 HydrophobicContact CG1-CB 4.25Å; V313-Y483 HydrophobicContact CB-CD1 4.41Å; V313-Y483 HydrophobicContact CB-CE1 4.47Å; V313-Y483 HydrophobicContact CG1-CD1 4.23Å; V313-Y483 HydrophobicContact CG1-CE1 3.93Å; V313-Y483 HydrophobicContact CG2-CD1 4.04Å; V313-Y483 HydrophobicContact CG2-CE1 4.03Å
314	L	95.6	Very high	89.2	Confident	21 Å²	21	49.2 Å²	49.2	11%	0.11	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-28.4	-175.9	-61.6	172.4	0	0	0	113.3	L340 F342 Q346 V368 I482 L484	L314-L340 HydrophobicContact CB-CD1 4.01Å; L314-F342 HydrophobicContact CD1-CE1 4.05Å; L314-F342 HydrophobicContact CD2-CD1 4.28Å; L314-F342 HydrophobicContact CD2-CE1 4.34Å; L314-Q346 VanDerWaalsContact CD2-CD 3.48Å; L314-Q346 HydrophobicContact CD2-CG 4.14Å; L314-V368 HydrophobicContact CD1-CB 4.42Å; L314-V368 HydrophobicContact CD1-CG1 3.78Å; L314-V368 HydrophobicContact CD1-CG2 4Å; L314-I482 HydrophobicContact CB-CB 4.36Å; L314-I482 HydrophobicContact CB-CG2 4.14Å; L314-I482 HydrophobicContact CD1-CG2 4.24Å; L314-I482 PolarHBondContact N-O 3Å; L314-L484 HydrophobicContact CD1-CB 4.08Å; L314-L484 HydrophobicContact CD1-CD1 4.44Å; L314-L484 HydrophobicContact CD2-CB 4.49Å; L314-L484 HydrophobicContact CG-CB 4.18Å
315	L	94.9	Very high	87.8	Confident	18 Å²	18	45.6 Å²	45.6	9%	0.094	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	114.8	169.8	-177.6	72.2	0	0	0	107.7	L338 G481 I482	L315-L338 HydrophobicContact CD2-CD1 3.99Å; L315-G481 WeakPolarHBondContact O-CA 3.04Å; L315-I482 HydrophobicContact CB-CB 3.75Å; L315-I482 HydrophobicContact CB-CD1 4.13Å; L315-I482 HydrophobicContact CB-CG1 3.92Å; L315-I482 HydrophobicContact CD2-CD1 3.77Å; L315-I482 HydrophobicContact CD2-CG1 3.9Å; L315-I482 PolarHBondContact N-O 3.24Å; L315-I482 PolarHBondContact O-N 3.28Å
316	P	93.9	Very high	86.4	Confident	25 Å²	25	45.1 Å²	45.1	16%	0.162	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	160	178.3	29.4	-37.4	0	0	0	111.4	V296 V313 Q318 F807	V296-P316 HydrophobicContact CG1-CB 3.82Å; V296-P316 HydrophobicContact CG1-CG 3.52Å; V313-P316 HydrophobicContact CG1-CB 4.25Å; P316-Q318 PolarHBondContact O-N 3.42Å; P316-Q318 VanDerWaalsContact O-N 3.13Å; P316-F807 VanDerWaalsContact CD-CZ 3.44Å; P316-F807 HydrophobicContact CG-CE2 3.81Å; P316-F807 HydrophobicContact CG-CZ 3.68Å
317	P	94.1	Very high	85.3	Confident	9 Å²	9	48.4 Å²	48.4	6%	0.058	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	118.7	178.1	-27.5	37.3	0	0	0	112.3	V296 L297 F300 F302 V479 V480 Y483	V296-P317 CarbonylContact C-O 3.59Å; V296-P317 WeakPolarHBondContact CA-O 3.39Å; L297-P317 PolarHBondContact N-O 2.86Å; F300-P317 HydrophobicContact CB-CB 4.24Å; F300-P317 HydrophobicContact CD1-CB 3.48Å; F300-P317 VanDerWaalsContact CD1-CB 3.48Å; F300-P317 HydrophobicContact CD1-CG 3.82Å; F300-P317 HydrophobicContact CE1-CB 4.2Å; F300-P317 HydrophobicContact CG-CB 4.21Å; F300-P317 WeakPolarHBondContact O-CG 3.39Å; F302-P317 HydrophobicContact CD2-CG 4.37Å; F302-P317 HydrophobicContact CE2-CB 4.34Å; F302-P317 HydrophobicContact CE2-CG 4.06Å; P317-V479 HydrophobicContact CB-CG1 3.84Å; P317-V480 WeakPolarHBondContact CA-O 3.18Å; P317-Y483 WeakPolarHBondContact CG-OH 3.32Å
318	Q	92.7	Very high	84	Confident	7 Å²	7	50 Å²	50	3%	0.033	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.4	177.2	58.5	163.2	-0.8	0	0	111.5	A295 V296 P316 V479 V480	A295-Q318 CarbonylContact O-C 3.58Å; A295-Q318 WeakPolarHBondContact O-CA 3.19Å; A295-Q318 VanDerWaalsContact O-CB 3.28Å; A295-Q318 WeakPolarHBondContact O-CB 3.33Å; V296-Q318 HydrophobicContact CG2-CB 4.11Å; P316-Q318 PolarHBondContact O-N 3.42Å; P316-Q318 VanDerWaalsContact O-N 3.13Å; Q318-V479 CarbonylContact O-C 3.57Å; Q318-V479 VanDerWaalsContact O-CA 3.31Å; Q318-V479 WeakPolarHBondContact O-CA 3.5Å; Q318-V480 HydrophobicContact CG-CG1 3.72Å; Q318-V480 PolarHBondContact N-O 3.09Å; Q318-V480 PolarHBondContact O-N 3.26Å
319	I	92.4	Very high	82.9	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.9	176.2	-62	179.8	0	0	0	109	I282 L284 L293 A295 L297 L321 R336 L375 Y477 V479	I282-I319 HydrophobicContact CD1-CB 4.1Å; I282-I319 HydrophobicContact CD1-CD1 4.24Å; I282-I319 HydrophobicContact CD1-CG2 4.38Å; L284-I319 HydrophobicContact CD1-CD1 3.83Å; L293-I319 HydrophobicContact CB-CD1 4.28Å; L293-I319 HydrophobicContact CD1-CD1 4.01Å; A295-I319 PolarHBondContact O-N 2.85Å; L297-I319 HydrophobicContact CD1-CD1 4.47Å; L297-I319 HydrophobicContact CD1-CG1 4.07Å; L297-I319 HydrophobicContact CD2-CD1 4.17Å; L297-I319 HydrophobicContact CD2-CG1 4.42Å; L297-I319 HydrophobicContact CG-CG1 4.32Å; I319-L321 HydrophobicContact CG2-CD2 4.1Å; I319-L321 HydrophobicContact CG2-CG 4.14Å; I319-R336 PolarHBondContact O-NH1 3.27Å; I319-L375 HydrophobicContact CD1-CD1 4.04Å; I319-L375 HydrophobicContact CG1-CD1 4.21Å; I319-Y477 HydrophobicContact CG2-CD1 4.47Å; I319-V479 HydrophobicContact CG1-CG2 4.01Å
320	I	91.3	Very high	82	Confident	1 Å²	1	49 Å²	49	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	101.5	173.8	-37.4	173.8	0	0	0	108.4	F372 W468 N478 V480	I320-F372 HydrophobicContact CD1-CD1 3.86Å; I320-F372 HydrophobicContact CD1-CE1 3.9Å; I320-W468 HydrophobicContact CB-CZ2 4.31Å; I320-W468 HydrophobicContact CG2-CD2 4.23Å; I320-W468 HydrophobicContact CG2-CE3 4.08Å; I320-W468 HydrophobicContact CG2-CH2 3.44Å; I320-W468 VanDerWaalsContact CG2-CH2 3.44Å; I320-W468 HydrophobicContact CG2-CZ2 3.53Å; I320-W468 HydrophobicContact CG2-CZ3 3.71Å; I320-N478 HydrophobicContact CD1-CB 4.09Å; I320-N478 HydrophobicContact CG1-CB 4.48Å; I320-N478 PolarHBondContact N-O 2.91Å; I320-V480 HydrophobicContact CD1-CB 3.91Å; I320-V480 HydrophobicContact CD1-CG1 4.25Å; I320-V480 HydrophobicContact CG1-CB 3.94Å; I320-V480 HydrophobicContact CG1-CG1 3.79Å
321	L	84.6	Confident	81.3	Confident	26 Å²	26	51.7 Å²	51.7	14%	0.136	29%	0.294	C	S	.	.			trans	-101.5	149.1	170.2	-69.7	-174.2	0	0	0	111.7	I282 L284 I319 Y477	I282-L321 HydrophobicContact CB-CD1 4.35Å; I282-L321 HydrophobicContact CD1-CD1 3.81Å; I282-L321 HydrophobicContact CD1-CG 4.36Å; L284-L321 HydrophobicContact CD2-CD1 4Å; L284-L321 HydrophobicContact CD2-CD2 3.71Å; L284-L321 HydrophobicContact CD2-CG 4.33Å; I319-L321 HydrophobicContact CG2-CD2 4.1Å; I319-L321 HydrophobicContact CG2-CG 4.14Å; L321-Y477 HydrophobicContact CD2-CD1 3.85Å; L321-Y477 HydrophobicContact CD2-CE1 3.73Å
322	P	71.9	Confident	80.8	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.019	30%	0.3	C	S	.	.			trans	-51.8	145	156.7	-30.9	41.7	0	0	0	112.6	H324 Y334 W468 Y472	P322-H324 VanDerWaalsContact C-N 3.31Å; P322-H324 PolarHBondContact O-N 3.41Å; P322-Y334 HydrophobicContact CB-CD1 3.43Å; P322-Y334 VanDerWaalsContact CB-CD1 3.43Å; P322-Y334 HydrophobicContact CB-CD2 4.35Å; P322-Y334 HydrophobicContact CB-CE1 3.59Å; P322-Y334 HydrophobicContact CB-CE2 4.5Å; P322-Y334 HydrophobicContact CB-CG 3.8Å; P322-Y334 HydrophobicContact CG-CD1 3.64Å; P322-Y334 HydrophobicContact CG-CD2 3.61Å; P322-Y334 HydrophobicContact CG-CE1 3.76Å; P322-Y334 HydrophobicContact CG-CE2 3.75Å; P322-Y334 HydrophobicContact CG-CG 3.51Å; P322-W468 HydrophobicContact CG-CZ2 4.34Å; P322-Y472 WeakPolarHBondContact CD-OH 3.3Å; P322-Y472 WeakPolarHBondContact CG-OH 3.47Å
323	A	65	Low	80.5	Confident	90 Å²	90	55.8 Å²	55.8	74%	0.744	31%	0.313	S	S	*	.	S	Bend	trans	-62.4	-36.4	177.8	0	0	0	0	0	113
324	H	61.1	Low	80.3	Confident	143 Å²	143	54.6 Å²	54.6	66%	0.662	30%	0.303	S	S	*	.	S	Bend	trans	-97.1	113.3	176.6	-167.4	-85.6	0	0	0	110.2	P322 G326	P322-H324 VanDerWaalsContact C-N 3.31Å; P322-H324 PolarHBondContact O-N 3.41Å; H324-G326 PolarHBondContact ND1-N 3.26Å; H324-G326 PolarHBondContact O-N 3.38Å
325	I	61.1	Low	80.1	Confident	100 Å²	100	57.2 Å²	57.2	51%	0.513	32%	0.317	S	S	.	.			trans	-78.8	40	-177.6	-39.3	-178.4	0	0	0	111.6	F327	I325-F327 HydrophobicContact CG2-CE1 4.39Å; I325-F327 HydrophobicContact CG2-CE2 3.89Å; I325-F327 HydrophobicContact CG2-CZ 3.76Å; I325-F327 PolarHBondContact O-N 3.31Å
326	G	62.4	Low	80	Confident	25 Å²	25	58.3 Å²	58.3	26%	0.258	32%	0.32	S	S	.	.			trans	-82	108.8	164.9	0	0	0	0	0	108.6	H324 A328	H324-G326 PolarHBondContact ND1-N 3.26Å; H324-G326 PolarHBondContact O-N 3.38Å; G326-A328 PolarHBondContact O-N 3.4Å
327	F	69.5	Low	80	Confident	83 Å²	83	61.7 Å²	61.7	36%	0.364	34%	0.344	S	S	.	.			trans	-70.8	51	175.1	-63.8	-72.8	0	0	0	112.3	A285 I325 T329 Y472	A285-F327 HydrophobicContact CB-CD1 3.86Å; A285-F327 HydrophobicContact CB-CE1 3.84Å; A285-F327 HydrophobicContact CB-CG 4.5Å; A285-F327 HydrophobicContact CB-CZ 4.46Å; I325-F327 HydrophobicContact CG2-CE1 4.39Å; I325-F327 HydrophobicContact CG2-CE2 3.89Å; I325-F327 HydrophobicContact CG2-CZ 3.76Å; I325-F327 PolarHBondContact O-N 3.31Å; F327-T329 PolarHBondContact O-N 3.14Å; F327-Y472 AromaticContact CD1-CD1 3.65Å; F327-Y472 HydrophobicContact CD1-CD1 3.65Å; F327-Y472 AromaticContact CD1-CE1 3.54Å; F327-Y472 HydrophobicContact CD1-CE1 3.54Å; F327-Y472 HydrophobicContact CD1-CG 4.21Å; F327-Y472 HydrophobicContact CE1-CD1 4.19Å; F327-Y472 AromaticContact CE1-CE1 3.82Å; F327-Y472 HydrophobicContact CE1-CE1 3.82Å
328	A	68.2	Low	80	Confident	41 Å²	41	61.7 Å²	61.7	34%	0.339	34%	0.343	S	S	.	.			trans	-67.6	118.9	178.9	0	0	0	0	0	109.8	G326	G326-A328 PolarHBondContact O-N 3.4Å
329	T	69.7	Low	80	Confident	119 Å²	119	64.6 Å²	64.6	73%	0.73	37%	0.368	S	S	*	.			trans	-62.2	145.3	179.7	52.3	0	0	0	0	112.3	F327	F327-T329 PolarHBondContact O-N 3.14Å
330	G	73.7	Confident	80.2	Confident	30 Å²	30	64.9 Å²	64.9	31%	0.309	37%	0.37	S	S	.	.	S	Bend	trans	98.4	165.5	177.6	0	0	0	0	0	113.6	R332	G330-R332 PolarHBondContact O-N 3.29Å
331	R	80.2	Confident	80.4	Confident	142 Å²	142	72.1 Å²	72.1	54%	0.536	40%	0.397	S	S	.	.			trans	-71.6	121.9	-174.3	-65.3	170.1	170.4	-145.2	-15.2	111.3	D440 T469 H470 D471	R331-D440 IonicContact CZ-OD1 3.09Å; R331-D440 IonicContact CZ-OD2 2.77Å; R331-D440 IonicContact NH1-OD1 3.13Å; R331-D440 PolarHBondContact NH1-OD1 3.25Å; R331-D440 IonicContact NH1-OD2 3.7Å; R331-D440 PolarHBondContact NH1-OD2 3.45Å; R331-D440 IonicContact NH2-OD2 3.42Å; R331-D440 PolarHBondContact NH2-OD2 3.1Å; R331-T469 HydrophobicContact CB-CG2 3.96Å; R331-H470 WeakPolarHBondContact CA-O 3.41Å; R331-D471 HydrophobicContact CG-CB 3.97Å; R331-D471 VanDerWaalsContact CG-OD2 3.24Å; R331-D471 WeakPolarHBondContact CG-OD2 3.42Å; R331-D471 IonicContact NE-OD2 3.91Å
332	R	84.4	Confident	81	Confident	137 Å²	137	71.4 Å²	71.4	52%	0.517	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.7	176.1	-69	177.2	-178	-87.1	-3.3	110.1	G330 Y334 T469 H470	G330-R332 PolarHBondContact O-N 3.29Å; R332-Y334 HydrophobicContact CB-CD2 4.28Å; R332-Y334 HydrophobicContact CB-CE1 4.4Å; R332-Y334 HydrophobicContact CB-CE2 3.53Å; R332-Y334 WeakPolarHBondContact O-CD2 3.44Å; R332-Y334 WeakPolarHBondContact O-CE2 3.27Å; R332-T469 CarbonylContact O-C 3.48Å; R332-T469 WeakPolarHBondContact O-CA 3.22Å; R332-H470 PolarHBondContact N-O 2.73Å; R332-H470 PolarHBondContact O-N 2.92Å
333	S	88.5	Confident	82.1	Confident	85 Å²	85	74.6 Å²	74.6	59%	0.594	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	137.9	171	-64.4	0	0	0	0	109.8	W468 T469	S333-W468 CarbonylContact C-O 3.55Å; S333-W468 WeakPolarHBondContact CA-O 3.39Å; S333-T469 PolarHBondContact OG-OG1 3.19Å
334	Y	91.3	Very high	83.5	Confident	37 Å²	37	73.6 Å²	73.6	15%	0.145	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.2	-176.3	-65.6	-76	0	0	0	110.4	P322 R332 T467 W468 H470	P322-Y334 HydrophobicContact CB-CD1 3.43Å; P322-Y334 VanDerWaalsContact CB-CD1 3.43Å; P322-Y334 HydrophobicContact CB-CD2 4.35Å; P322-Y334 HydrophobicContact CB-CE1 3.59Å; P322-Y334 HydrophobicContact CB-CE2 4.5Å; P322-Y334 HydrophobicContact CB-CG 3.8Å; P322-Y334 HydrophobicContact CG-CD1 3.64Å; P322-Y334 HydrophobicContact CG-CD2 3.61Å; P322-Y334 HydrophobicContact CG-CE1 3.76Å; P322-Y334 HydrophobicContact CG-CE2 3.75Å; P322-Y334 HydrophobicContact CG-CG 3.51Å; R332-Y334 HydrophobicContact CB-CD2 4.28Å; R332-Y334 HydrophobicContact CB-CE1 4.4Å; R332-Y334 HydrophobicContact CB-CE2 3.53Å; R332-Y334 WeakPolarHBondContact O-CD2 3.44Å; R332-Y334 WeakPolarHBondContact O-CE2 3.27Å; Y334-T467 CarbonylContact O-C 3.53Å; Y334-T467 VanDerWaalsContact O-CA 3.29Å; Y334-T467 WeakPolarHBondContact O-CA 3.42Å; Y334-W468 PolarHBondContact N-O 2.91Å; Y334-W468 VanDerWaalsContact O-CE3 3.22Å; Y334-W468 WeakPolarHBondContact O-CZ3 3.43Å; Y334-W468 PolarHBondContact O-N 3.37Å; Y334-H470 HydrophobicContact CD2-CB 3.66Å; Y334-H470 HydrophobicContact CE2-CB 3.77Å
335	D	91.5	Very high	85.2	Confident	76 Å²	76	71.9 Å²	71.9	41%	0.406	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.5	177.7	-77	-23.2	0	0	0	111	K465 L466 T467	D335-K465 VanDerWaalsContact OD1-CE 3.31Å; D335-K465 WeakPolarHBondContact OD1-CE 3.45Å; D335-K465 IonicContact OD1-NZ 2.79Å; D335-K465 WeakPolarHBondContact OD2-CE 3.29Å; D335-K465 IonicContact OD2-NZ 3.74Å; D335-K465 PolarHBondContact OD2-NZ 3.05Å; D335-L466 CarbonylContact C-O 3.51Å; D335-L466 VanDerWaalsContact CA-O 3.29Å; D335-L466 WeakPolarHBondContact CA-O 3.47Å; D335-T467 VanDerWaalsContact OD1-CB 3.24Å; D335-T467 WeakPolarHBondContact OD1-CB 3.4Å; D335-T467 VanDerWaalsContact OD1-CG2 3.27Å; D335-T467 WeakPolarHBondContact OD1-CG2 3.41Å; D335-T467 PolarHBondContact OD1-OG1 3.25Å
336	R	91.9	Very high	86.8	Confident	41 Å²	41	68.1 Å²	68.1	16%	0.155	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	126	168.6	-174.1	176.7	-177.8	-165.8	1.7	109.9	I319 L338 L466 W468	I319-R336 PolarHBondContact O-NH1 3.27Å; R336-L338 HydrophobicContact CG-CD2 4.42Å; R336-L466 PolarHBondContact N-O 2.92Å; R336-L466 PolarHBondContact O-N 3.45Å; R336-W468 HydrophobicContact CB-CH2 3.99Å; R336-W468 HydrophobicContact CB-CZ3 3.7Å
337	S	93.3	Very high	88.3	Confident	95 Å²	95	67.3 Å²	67.3	66%	0.664	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	143.4	171.9	-63.9	0	0	0	0	110.7	I464	S337-I464 CarbonylContact C-O 3.51Å
338	L	94.1	Very high	89.5	Confident	10 Å²	10	68.4 Å²	68.4	5%	0.052	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.1	174.8	-57.1	173.5	0	0	0	108.7	L315 R336 M370 I464 L466	L315-L338 HydrophobicContact CD2-CD1 3.99Å; R336-L338 HydrophobicContact CG-CD2 4.42Å; L338-M370 HydrophobicContact CD1-CE 4.27Å; L338-I464 HydrophobicContact CB-CB 4.35Å; L338-I464 PolarHBondContact N-O 3.01Å; L338-I464 PolarHBondContact O-N 3.31Å; L338-L466 HydrophobicContact CD1-CD1 3.89Å
339	A	94.7	Very high	90.6	Very high	67 Å²	67	67.9 Å²	67.9	55%	0.554	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.2	171.8	0	0	0	0	0	109.7	N462 Y463	A339-N462 WeakPolarHBondContact CA-O 3.2Å; A339-Y463 HydrophobicContact CB-CD1 4.25Å; A339-Y463 HydrophobicContact CB-CE1 4.21Å
340	L	96	Very high	91.7	Very high	11 Å²	11	62.3 Å²	62.3	6%	0.058	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.5	178.3	173.2	62.3	0	0	0	109.2	L314 F342 N462 I464 I482	L314-L340 HydrophobicContact CB-CD1 4.01Å; L340-F342 HydrophobicContact CD2-CE1 4.22Å; L340-F342 HydrophobicContact CD2-CZ 4.21Å; L340-N462 HydrophobicContact CB-CB 4.25Å; L340-N462 PolarHBondContact N-O 3.4Å; L340-N462 WeakPolarHBondContact O-CB 3.35Å; L340-N462 PolarHBondContact O-N 2.66Å; L340-I464 HydrophobicContact CB-CD1 4.5Å; L340-I464 HydrophobicContact CD2-CD1 4.38Å; L340-I482 HydrophobicContact CD2-CG2 4.49Å
341	R	95.9	Very high	92.6	Very high	154 Å²	154	64.8 Å²	64.8	58%	0.581	34%	0.34	S	S	*	.			trans	-116.7	140.1	172.4	-72.1	-179.2	173.1	-84.5	2.9	108.9	P461	R341-P461 HydrophobicContact CG-CB 3.99Å
342	F	96.2	Very high	93	Very high	10 Å²	10	60.2 Å²	60.2	4%	0.044	32%	0.323	C	S	.	.			trans	-95.2	148.4	175	-63.3	-65	0	0	0	111.8	L314 L340 Q346 V347 I350 V368 L454 H455 P458 N462	L314-F342 HydrophobicContact CD1-CE1 4.05Å; L314-F342 HydrophobicContact CD2-CD1 4.28Å; L314-F342 HydrophobicContact CD2-CE1 4.34Å; L340-F342 HydrophobicContact CD2-CE1 4.22Å; L340-F342 HydrophobicContact CD2-CZ 4.21Å; F342-Q346 VanDerWaalsContact CA-OE1 3.27Å; F342-Q346 HydrophobicContact CB-CB 4.31Å; F342-Q346 HydrophobicContact CD1-CB 4.19Å; F342-V347 HydrophobicContact CB-CG2 3.64Å; F342-V347 HydrophobicContact CD2-CG2 4.3Å; F342-V347 HydrophobicContact CG-CG2 4.21Å; F342-I350 HydrophobicContact CD1-CD1 4.44Å; F342-I350 HydrophobicContact CE1-CD1 4.03Å; F342-I350 HydrophobicContact CZ-CD1 4.17Å; F342-V368 HydrophobicContact CE1-CG2 4.07Å; F342-V368 HydrophobicContact CZ-CG2 4Å; F342-L454 HydrophobicContact CE2-CB 4.44Å; F342-L454 HydrophobicContact CZ-CD1 4.1Å; F342-H455 WeakPolarHBondContact CE2-O 3.48Å; F342-P458 WeakPolarHBondContact O-CA 3.22Å; F342-N462 WeakPolarHBondContact CE2-ND2 3.33Å
343	T	95.8	Very high	93.1	Very high	70 Å²	70	55.8 Å²	55.8	43%	0.429	31%	0.308	S	S	.	.			trans	-74.1	164.1	161.2	71.4	0	0	0	0	110.3	D345 Q346 V347	T343-D345 PolarHBondContact O-N 3.32Å; T343-D345 PolarHBondContact OG1-N 3.31Å; T343-Q346 PolarHBondContact O-N 3.09Å; T343-Q346 VanDerWaalsContact OG1-CG 3.28Å; T343-Q346 WeakPolarHBondContact OG1-CG 3.42Å; T343-Q346 PolarHBondContact OG1-N 3.28Å; T343-Q346 VanDerWaalsContact OG1-N 3.07Å; T343-V347 PolarHBondContact O-N 3.11Å; T343-V347 VanDerWaalsContact O-N 3.14Å
344	S	94.8	Very high	93.1	Very high	69 Å²	69	52.7 Å²	52.7	48%	0.483	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-34.9	173.8	-164.2	0	0	0	0	112.1	V347 E348	S344-V347 PolarHBondContact O-N 3.26Å; S344-E348 WeakPolarHBondContact O-CB 3.44Å; S344-E348 PolarHBondContact O-N 3.37Å
345	D	95.1	Very high	92.7	Very high	108 Å²	108	55.3 Å²	55.3	58%	0.578	30%	0.295	S	S	*	.	H	α-helix	trans	-70.2	-40.5	179.6	176.7	54.2	0	0	0	112.6	T343 V347 E348 T349	T343-D345 PolarHBondContact O-N 3.32Å; T343-D345 PolarHBondContact OG1-N 3.31Å; D345-V347 VanDerWaalsContact C-N 3.34Å; D345-V347 PolarHBondContact O-N 3.02Å; D345-E348 PolarHBondContact O-N 3.04Å; D345-T349 VanDerWaalsContact O-CB 3.28Å; D345-T349 WeakPolarHBondContact O-CB 3.48Å; D345-T349 PolarHBondContact O-N 2.66Å; D345-T349 PolarHBondContact O-OG1 3.49Å
346	Q	95.4	Very high	92.3	Very high	21 Å²	21	60.1 Å²	60.1	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-40.8	171.9	-71.1	161.7	-3.9	0	0	111.3	D312 L314 F342 T343 I350 L484	D312-Q346 PolarHBondContact OD2-NE2 3.01Å; L314-Q346 VanDerWaalsContact CD2-CD 3.48Å; L314-Q346 HydrophobicContact CD2-CG 4.14Å; F342-Q346 VanDerWaalsContact CA-OE1 3.27Å; F342-Q346 HydrophobicContact CB-CB 4.31Å; F342-Q346 HydrophobicContact CD1-CB 4.19Å; T343-Q346 PolarHBondContact O-N 3.09Å; T343-Q346 VanDerWaalsContact OG1-CG 3.28Å; T343-Q346 WeakPolarHBondContact OG1-CG 3.42Å; T343-Q346 PolarHBondContact OG1-N 3.28Å; T343-Q346 VanDerWaalsContact OG1-N 3.07Å; Q346-I350 WeakPolarHBondContact O-CD1 3.47Å; Q346-I350 VanDerWaalsContact O-CG1 3.23Å; Q346-I350 WeakPolarHBondContact O-CG1 3.34Å; Q346-I350 PolarHBondContact O-N 3.37Å; Q346-L484 HydrophobicContact CB-CD2 4.5Å; Q346-L484 HydrophobicContact CG-CD2 4.32Å
347	V	94.5	Very high	91.6	Very high	8 Å²	8	58.9 Å²	58.9	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-44.9	175.4	162.9	0	0	0	0	111.8	F342 T343 S344 D345 I350 T351 V456	F342-V347 HydrophobicContact CB-CG2 3.64Å; F342-V347 HydrophobicContact CD2-CG2 4.3Å; F342-V347 HydrophobicContact CG-CG2 4.21Å; T343-V347 PolarHBondContact O-N 3.11Å; T343-V347 VanDerWaalsContact O-N 3.14Å; S344-V347 PolarHBondContact O-N 3.26Å; D345-V347 VanDerWaalsContact C-N 3.34Å; D345-V347 PolarHBondContact O-N 3.02Å; V347-I350 PolarHBondContact O-N 2.94Å; V347-T351 VanDerWaalsContact O-CB 3.3Å; V347-T351 WeakPolarHBondContact O-CB 3.12Å; V347-T351 PolarHBondContact O-N 3.27Å; V347-T351 PolarHBondContact O-OG1 2.82Å; V347-V456 HydrophobicContact CB-CG1 4.43Å; V347-V456 HydrophobicContact CG1-CG1 4.21Å; V347-V456 HydrophobicContact CG2-CG1 4.22Å
348	E	93.6	Very high	90.9	Very high	106 Å²	106	60 Å²	60	50%	0.495	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-46.7	176.1	-172	167.9	166.1	0	0	110.4	S344 D345 I350 T351 Y352	S344-E348 WeakPolarHBondContact O-CB 3.44Å; S344-E348 PolarHBondContact O-N 3.37Å; D345-E348 PolarHBondContact O-N 3.04Å; E348-I350 PolarHBondContact O-N 3.01Å; E348-T351 PolarHBondContact O-N 2.94Å; E348-Y352 WeakPolarHBondContact O-CB 3.48Å; E348-Y352 PolarHBondContact O-N 2.8Å
349	T	93.1	Very high	90.4	Very high	30 Å²	30	63.4 Å²	63.4	18%	0.184	34%	0.342	C	S	.	.	H	α-helix	trans	-59.1	-45.3	177.4	-63.1	0	0	0	0	112.8	I311 D345 H353 V366 L484	I311-T349 HydrophobicContact CD1-CG2 4.4Å; D345-T349 VanDerWaalsContact O-CB 3.28Å; D345-T349 WeakPolarHBondContact O-CB 3.48Å; D345-T349 PolarHBondContact O-N 2.66Å; D345-T349 PolarHBondContact O-OG1 3.49Å; T349-H353 PolarHBondContact O-CD2 2.8Å; T349-H353 PolarHBondContact O-N 2.99Å; T349-V366 HydrophobicContact CG2-CG1 4.21Å; T349-V366 HydrophobicContact CG2-CG2 4.41Å; T349-L484 HydrophobicContact CG2-CD2 4.24Å
350	I	92.5	Very high	89.6	Confident	1 Å²	1	67 Å²	67	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-44.2	176.2	-67.3	163.1	0	0	0	110.4	F342 Q346 V347 E348 C354 F364 V366 V368 T451 V456 L484	F342-I350 HydrophobicContact CD1-CD1 4.44Å; F342-I350 HydrophobicContact CE1-CD1 4.03Å; F342-I350 HydrophobicContact CZ-CD1 4.17Å; Q346-I350 WeakPolarHBondContact O-CD1 3.47Å; Q346-I350 VanDerWaalsContact O-CG1 3.23Å; Q346-I350 WeakPolarHBondContact O-CG1 3.34Å; Q346-I350 PolarHBondContact O-N 3.37Å; V347-I350 PolarHBondContact O-N 2.94Å; E348-I350 PolarHBondContact O-N 3.01Å; I350-C354 WeakPolarHBondContact O-CB 3.45Å; I350-C354 PolarHBondContact O-N 3.06Å; I350-F364 HydrophobicContact CG2-CD1 3.88Å; I350-F364 HydrophobicContact CG2-CE1 4.05Å; I350-V366 HydrophobicContact CG1-CG1 4.42Å; I350-V368 HydrophobicContact CD1-CG2 4.04Å; I350-T451 HydrophobicContact CG2-CG2 4.47Å; I350-V456 HydrophobicContact CB-CG1 3.96Å; I350-V456 HydrophobicContact CD1-CG1 4.27Å; I350-V456 HydrophobicContact CG2-CG1 3.76Å; I350-V456 HydrophobicContact CG2-CG2 4.09Å; I350-L484 HydrophobicContact CD1-CD1 3.89Å; I350-L484 HydrophobicContact CG1-CD1 3.65Å
351	T	91.3	Very high	88.9	Confident	82 Å²	82	74.9 Å²	74.9	50%	0.503	38%	0.376	S	S	.	.	H	α-helix	trans	-74.1	-38.9	-174.1	-53.2	0	0	0	0	112.3	V347 E348 H353 C354	V347-T351 VanDerWaalsContact O-CB 3.3Å; V347-T351 WeakPolarHBondContact O-CB 3.12Å; V347-T351 PolarHBondContact O-N 3.27Å; V347-T351 PolarHBondContact O-OG1 2.82Å; E348-T351 PolarHBondContact O-N 2.94Å; T351-H353 VanDerWaalsContact C-N 3.32Å; T351-H353 PolarHBondContact O-N 3.36Å; T351-C354 WeakPolarHBondContact O-CB 3.37Å; T351-C354 PolarHBondContact O-N 3.23Å; T351-C354 VanDerWaalsContact O-N 3.15Å
352	Y	89.8	Confident	88.1	Confident	47 Å²	47	72.6 Å²	72.6	18%	0.184	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-37.6	176.8	176.7	-86.1	0	0	0	112.1	L42 R43 S46 E348 C354	L42-Y352 HydrophobicContact CB-CE2 3.77Å; L42-Y352 PolarHBondContact O-OH 3.01Å; R43-Y352 WeakPolarHBondContact CA-OH 3.24Å; R43-Y352 HydrophobicContact CB-CE2 4.43Å; R43-Y352 HydrophobicContact CG-CD2 4.15Å; R43-Y352 HydrophobicContact CG-CE1 4.23Å; R43-Y352 HydrophobicContact CG-CE2 3.6Å; S46-Y352 WeakPolarHBondContact CB-OH 3.41Å; E348-Y352 WeakPolarHBondContact O-CB 3.48Å; E348-Y352 PolarHBondContact O-N 2.8Å; Y352-C354 VanDerWaalsContact C-N 3.29Å; Y352-C354 PolarHBondContact O-N 3.28Å
353	H	86.2	Confident	87.5	Confident	43 Å²	43	76.7 Å²	76.7	20%	0.199	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	20.6	174.6	-71.2	-60.3	0	0	0	113.7	T349 T351 W355 G365 V366	T349-H353 PolarHBondContact O-CD2 2.8Å; T349-H353 PolarHBondContact O-N 2.99Å; T351-H353 VanDerWaalsContact C-N 3.32Å; T351-H353 PolarHBondContact O-N 3.36Å; H353-W355 WeakPolarHBondContact O-CZ3 3.36Å; H353-G365 PolarHBondContact O-N 3.34Å; H353-V366 HydrophobicContact CB-CB 3.97Å; H353-V366 HydrophobicContact CB-CG2 3.72Å; H353-V366 WeakPolarHBondContact CD2-CG2 3.28Å
354	C	88	Confident	87	Confident	20 Å²	20	74.5 Å²	74.5	14%	0.135	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.3	177.2	-166.8	0	0	0	0	111	P32 I350 T351 Y352 M362 E363 F364	P32-C354 WeakPolarHBondContact CB-O 3.3Å; P32-C354 VanDerWaalsContact CG-O 3.32Å; P32-C354 WeakPolarHBondContact CG-O 3.44Å; I350-C354 WeakPolarHBondContact O-CB 3.45Å; I350-C354 PolarHBondContact O-N 3.06Å; T351-C354 WeakPolarHBondContact O-CB 3.37Å; T351-C354 PolarHBondContact O-N 3.23Å; T351-C354 VanDerWaalsContact O-N 3.15Å; Y352-C354 VanDerWaalsContact C-N 3.29Å; Y352-C354 PolarHBondContact O-N 3.28Å; C354-M362 WeakPolarHBondContact SG-CG 3.4Å; C354-E363 WeakPolarHBondContact CA-O 3.43Å; C354-F364 HydrophobicContact CB-CD1 4.33Å
355	W	83.4	Confident	86.6	Confident	92 Å²	92	71.6 Å²	71.6	35%	0.348	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	173.2	177.7	62.5	86	0	0	0	112.3	P32 H353 M362 E363 G365	P32-W355 HydrophobicContact CB-CB 3.71Å; P32-W355 HydrophobicContact CG-CB 4.13Å; H353-W355 WeakPolarHBondContact O-CZ3 3.36Å; W355-M362 CarbonylContact O-C 3.58Å; W355-M362 WeakPolarHBondContact O-CA 3.41Å; W355-E363 HydrophobicContact CD2-CB 4.41Å; W355-E363 HydrophobicContact CG-CB 4.39Å; W355-E363 HydrophobicContact CZ2-CB 4.37Å; W355-E363 PolarHBondContact N-O 3.46Å; W355-E363 PolarHBondContact NE1-OE2 3.37Å; W355-E363 PolarHBondContact O-N 3.14Å; W355-G365 VanDerWaalsContact CZ3-CA 3.44Å
356	R	82.7	Confident	86.5	Confident	177 Å²	177	66.5 Å²	66.5	67%	0.668	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.4	164.5	-74.4	-172.2	-177.9	-106.2	11.7	109	E360 R361	R356-E360 WeakPolarHBondContact CD-O 3.49Å; R356-E360 WeakPolarHBondContact CG-O 3.33Å; R356-E360 PolarHBondContact NH1-O 3.25Å; R356-R361 CarbonylContact C-O 3.55Å; R356-R361 VanDerWaalsContact CA-O 3.29Å; R356-R361 WeakPolarHBondContact CA-O 3.46Å
357	G	77.5	Confident	86.5	Confident	16 Å²	16	66.7 Å²	66.7	17%	0.165	33%	0.332	C	S	.	.			trans	-71	178.6	170.7	0	0	0	0	0	111.9	D359 E360 R361	G357-D359 PolarHBondContact O-N 2.85Å; G357-E360 WeakPolarHBondContact O-CA 3.2Å; G357-E360 PolarHBondContact O-N 3.45Å; G357-R361 PolarHBondContact N-O 3.11Å
358	A	79.2	Confident	86.6	Confident	119 Å²	119	66.3 Å²	66.3	98%	0.983	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.3	179.3	0	0	0	0	0	113.9	E360	A358-E360 VanDerWaalsContact C-N 3.27Å
359	D	83.2	Confident	86.7	Confident	81 Å²	81	61.3 Å²	61.3	43%	0.433	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	18.7	172.7	68.7	-14.4	0	0	0	112.8	G357 R361	G357-D359 PolarHBondContact O-N 2.85Å; D359-R361 PolarHBondContact O-N 2.9Å; D359-R361 VanDerWaalsContact OD1-CB 3.3Å; D359-R361 WeakPolarHBondContact OD1-CB 3.47Å; D359-R361 PolarHBondContact OD1-N 3.23Å; D359-R361 WeakPolarHBondContact OD2-CD 3.38Å; D359-R361 VanDerWaalsContact OD2-CG 3.3Å; D359-R361 WeakPolarHBondContact OD2-CG 3.45Å; D359-R361 IonicContact OD2-CZ 2.62Å; D359-R361 IonicContact OD2-NE 3.7Å; D359-R361 IonicContact OD2-NH1 2.64Å; D359-R361 PolarHBondContact OD2-NH1 3.46Å
360	E	78.1	Confident	86.9	Confident	143 Å²	143	59.9 Å²	59.9	67%	0.668	30%	0.298	S	S	*	.	S	Bend	trans	56.4	-1.6	-169.8	-56.7	-160.2	146.7	0	0	116.3	R356 G357 A358	R356-E360 WeakPolarHBondContact CD-O 3.49Å; R356-E360 WeakPolarHBondContact CG-O 3.33Å; R356-E360 PolarHBondContact NH1-O 3.25Å; G357-E360 WeakPolarHBondContact O-CA 3.2Å; G357-E360 PolarHBondContact O-N 3.45Å; A358-E360 VanDerWaalsContact C-N 3.27Å
361	R	79.9	Confident	87	Confident	176 Å²	176	60.6 Å²	60.6	66%	0.664	30%	0.3	S	S	*	.			trans	-69.6	148	-177.8	-64.7	-171.8	-176.5	119.8	-5.1	110.8	R356 G357 D359 E363	R356-R361 CarbonylContact C-O 3.55Å; R356-R361 VanDerWaalsContact CA-O 3.29Å; R356-R361 WeakPolarHBondContact CA-O 3.46Å; G357-R361 PolarHBondContact N-O 3.11Å; D359-R361 PolarHBondContact O-N 2.9Å; D359-R361 VanDerWaalsContact OD1-CB 3.3Å; D359-R361 WeakPolarHBondContact OD1-CB 3.47Å; D359-R361 PolarHBondContact OD1-N 3.23Å; D359-R361 WeakPolarHBondContact OD2-CD 3.38Å; D359-R361 VanDerWaalsContact OD2-CG 3.3Å; D359-R361 WeakPolarHBondContact OD2-CG 3.45Å; D359-R361 IonicContact OD2-CZ 2.62Å; D359-R361 IonicContact OD2-NE 3.7Å; D359-R361 IonicContact OD2-NH1 2.64Å; D359-R361 PolarHBondContact OD2-NH1 3.46Å; R361-E363 PolarHBondContact O-N 3.15Å
362	M	79.9	Confident	87.3	Confident	106 Å²	106	56.8 Å²	56.8	52%	0.522	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	109.8	-179.4	-164.4	160.6	76.4	0	0	110.2	C354 W355 F364	C354-M362 WeakPolarHBondContact SG-CG 3.4Å; W355-M362 CarbonylContact O-C 3.58Å; W355-M362 WeakPolarHBondContact O-CA 3.41Å; M362-F364 HydrophobicContact CE-CE1 4.42Å; M362-F364 HydrophobicContact CE-CE2 4.35Å; M362-F364 HydrophobicContact CE-CZ 3.73Å
363	E	83.1	Confident	87.5	Confident	95 Å²	95	54.6 Å²	54.6	44%	0.444	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.1	179	-67.5	-159.6	120.4	0	0	110.8	C354 W355 R361	C354-E363 WeakPolarHBondContact CA-O 3.43Å; W355-E363 HydrophobicContact CD2-CB 4.41Å; W355-E363 HydrophobicContact CG-CB 4.39Å; W355-E363 HydrophobicContact CZ2-CB 4.37Å; W355-E363 PolarHBondContact N-O 3.46Å; W355-E363 PolarHBondContact NE1-OE2 3.37Å; W355-E363 PolarHBondContact O-N 3.14Å; R361-E363 PolarHBondContact O-N 3.15Å
364	F	85.4	Confident	87.8	Confident	24 Å²	24	58.4 Å²	58.4	11%	0.105	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.5	-178.1	-62.9	-95	0	0	0	109.2	I350 C354 M362 V366 Q367 T451 Q452	I350-F364 HydrophobicContact CG2-CD1 3.88Å; I350-F364 HydrophobicContact CG2-CE1 4.05Å; C354-F364 HydrophobicContact CB-CD1 4.33Å; M362-F364 HydrophobicContact CE-CE1 4.42Å; M362-F364 HydrophobicContact CE-CE2 4.35Å; M362-F364 HydrophobicContact CE-CZ 3.73Å; F364-V366 WeakPolarHBondContact CB-O 3.48Å; F364-Q367 HydrophobicContact CB-CG 4.19Å; F364-Q367 WeakPolarHBondContact O-CG 3.38Å; F364-Q367 PolarHBondContact O-NE2 2.91Å; F364-T451 HydrophobicContact CB-CG2 4.2Å; F364-T451 HydrophobicContact CD1-CG2 3.67Å; F364-T451 HydrophobicContact CD2-CG2 4.13Å; F364-T451 HydrophobicContact CE1-CG2 3.93Å; F364-T451 HydrophobicContact CE2-CG2 4.37Å; F364-T451 HydrophobicContact CG-CG2 3.76Å; F364-T451 HydrophobicContact CZ-CG2 4.26Å; F364-Q452 HydrophobicContact CD2-CG 4.37Å; F364-Q452 HydrophobicContact CE2-CG 4.02Å
365	G	85.7	Confident	88	Confident	9 Å²	9	57.5 Å²	57.5	9%	0.093	28%	0.275	C	S	.	.	S	Bend	trans	-72.5	-30.1	173.2	0	0	0	0	0	113.1	H353 W355 R486 R487	H353-G365 PolarHBondContact O-N 3.34Å; W355-G365 VanDerWaalsContact CZ3-CA 3.44Å; G365-R486 WeakPolarHBondContact O-CA 3.23Å; G365-R487 PolarHBondContact O-N 2.72Å
366	V	94.1	Very high	88.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.4	167.5	171.9	0	0	0	0	109.1	I311 T349 I350 H353 F364 L484 M485 R486	I311-V366 HydrophobicContact CD1-CB 4.24Å; I311-V366 HydrophobicContact CD1-CG1 3.75Å; I311-V366 HydrophobicContact CD1-CG2 3.42Å; I311-V366 VanDerWaalsContact CD1-CG2 3.42Å; T349-V366 HydrophobicContact CG2-CG1 4.21Å; T349-V366 HydrophobicContact CG2-CG2 4.41Å; I350-V366 HydrophobicContact CG1-CG1 4.42Å; H353-V366 HydrophobicContact CB-CB 3.97Å; H353-V366 HydrophobicContact CB-CG2 3.72Å; H353-V366 WeakPolarHBondContact CD2-CG2 3.28Å; F364-V366 WeakPolarHBondContact CB-O 3.48Å; V366-L484 HydrophobicContact CG1-CD1 3.47Å; V366-L484 VanDerWaalsContact CG1-CD1 3.47Å; V366-L484 HydrophobicContact CG1-CD2 4.28Å; V366-L484 HydrophobicContact CG1-CG 3.62Å; V366-M485 WeakPolarHBondContact CA-O 3.46Å; V366-R486 HydrophobicContact CG2-CB 4.11Å; V366-R486 HydrophobicContact CG2-CG 4.45Å
367	Q	94.5	Very high	88.7	Confident	25 Å²	25	50.1 Å²	50.1	12%	0.117	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.3	-167.8	-58.7	-174.7	-4.1	0	0	110.4	F364 I369 N449 T451 M485	F364-Q367 HydrophobicContact CB-CG 4.19Å; F364-Q367 WeakPolarHBondContact O-CG 3.38Å; F364-Q367 PolarHBondContact O-NE2 2.91Å; Q367-I369 HydrophobicContact CB-CD1 3.71Å; Q367-I369 HydrophobicContact CB-CG1 4.12Å; Q367-N449 PolarHBondContact OE1-ND2 3.01Å; Q367-T451 WeakPolarHBondContact CA-OG1 3.31Å; Q367-M485 PolarHBondContact N-O 3.25Å; Q367-M485 PolarHBondContact O-N 3.41Å
368	V	96.6	Very high	89.3	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	111.5	168.3	-178.1	0	0	0	0	108.1	L314 F342 I350 I450 T451 L454 I482 Y483 L484	L314-V368 HydrophobicContact CD1-CB 4.42Å; L314-V368 HydrophobicContact CD1-CG1 3.78Å; L314-V368 HydrophobicContact CD1-CG2 4Å; F342-V368 HydrophobicContact CE1-CG2 4.07Å; F342-V368 HydrophobicContact CZ-CG2 4Å; I350-V368 HydrophobicContact CD1-CG2 4.04Å; V368-I450 HydrophobicContact CB-CG1 4.25Å; V368-I450 HydrophobicContact CG1-CD1 3.93Å; V368-I450 HydrophobicContact CG1-CG1 3.81Å; V368-I450 WeakPolarHBondContact O-CG1 3.3Å; V368-I450 PolarHBondContact O-N 2.72Å; V368-T451 PolarHBondContact N-OG1 3.15Å; V368-L454 HydrophobicContact CB-CD1 3.64Å; V368-L454 HydrophobicContact CG1-CD1 3.6Å; V368-L454 HydrophobicContact CG2-CD1 3.86Å; V368-I482 HydrophobicContact CG1-CG2 3.57Å; V368-Y483 WeakPolarHBondContact CA-O 3.41Å; V368-L484 HydrophobicContact CG2-CD1 4.14Å
369	I	96.2	Very high	89.7	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.4	-172.2	-58.5	-56.7	0	0	0	109.6	F308 Q367 R371 P447 N449 I482 Y483 M485	F308-I369 HydrophobicContact CD1-CG1 4.32Å; F308-I369 HydrophobicContact CE1-CD1 4.02Å; F308-I369 HydrophobicContact CE1-CG1 4.13Å; Q367-I369 HydrophobicContact CB-CD1 3.71Å; Q367-I369 HydrophobicContact CB-CG1 4.12Å; I369-R371 HydrophobicContact CG2-CG 4.22Å; I369-P447 HydrophobicContact CG2-CB 3.43Å; I369-P447 VanDerWaalsContact CG2-CB 3.43Å; I369-N449 HydrophobicContact CD1-CB 3.77Å; I369-I482 WeakPolarHBondContact O-CA 3.42Å; I369-Y483 PolarHBondContact N-O 2.69Å; I369-Y483 PolarHBondContact O-N 2.95Å; I369-M485 HydrophobicContact CB-CG 4.44Å; I369-M485 HydrophobicContact CB-SD 3.84Å; I369-M485 HydrophobicContact CG1-CB 4.02Å; I369-M485 HydrophobicContact CG1-CG 4.33Å; I369-M485 HydrophobicContact CG1-SD 4Å; I369-M485 HydrophobicContact CG2-SD 3.95Å
370	M	96.6	Very high	90	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.7	175.7	-168.4	165.5	-157.9	0	0	109.4	L338 F372 I419 I448 I450 I464 L466 V480 G481 I482	L338-M370 HydrophobicContact CD1-CE 4.27Å; M370-F372 HydrophobicContact CE-CE1 4.49Å; M370-F372 HydrophobicContact CE-CE2 4.47Å; M370-F372 HydrophobicContact CE-CZ 3.83Å; M370-F372 HydrophobicContact CG-CD2 4.47Å; M370-F372 HydrophobicContact CG-CE2 3.68Å; M370-F372 HydrophobicContact CG-CZ 3.99Å; M370-F372 HydrophobicContact SD-CE2 4.08Å; M370-F372 HydrophobicContact SD-CZ 3.94Å; M370-I419 HydrophobicContact SD-CD1 4.02Å; M370-I419 HydrophobicContact SD-CG2 4.45Å; M370-I448 HydrophobicContact CB-CB 4.49Å; M370-I448 PolarHBondContact N-O 2.86Å; M370-I448 PolarHBondContact O-N 3.49Å; M370-I450 HydrophobicContact CB-CD1 4.39Å; M370-I450 HydrophobicContact SD-CD1 4.42Å; M370-I464 HydrophobicContact CE-CG2 4.18Å; M370-I464 HydrophobicContact SD-CG2 4.45Å; M370-L466 HydrophobicContact CE-CD1 3.94Å; M370-L466 HydrophobicContact CE-CD2 3.74Å; M370-L466 HydrophobicContact CE-CG 4.29Å; M370-L466 HydrophobicContact SD-CD2 4.43Å; M370-V480 HydrophobicContact CE-CG2 3.42Å; M370-V480 VanDerWaalsContact CE-CG2 3.42Å; M370-V480 HydrophobicContact CG-CG2 4.19Å; M370-G481 WeakPolarHBondContact CA-O 3.35Å; M370-I482 HydrophobicContact CB-CG1 4.49Å; M370-I482 HydrophobicContact CE-CD1 4.06Å; M370-I482 HydrophobicContact CE-CG1 4.19Å; M370-I482 HydrophobicContact CG-CG1 4.06Å; M370-I482 HydrophobicContact SD-CG1 4.5Å
371	R	96.2	Very high	90.5	Very high	16 Å²	16	42.9 Å²	42.9	6%	0.06	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146.3	177.8	-60	-174	77.8	177.8	3.8	110.2	F302 K303 I369 D411 P447 V480 G481 Y483	F302-R371 VanDerWaalsContact CB-CZ 3.49Å; F302-R371 VanDerWaalsContact CB-NH1 3.3Å; F302-R371 HydrophobicContact CD1-CB 3.84Å; F302-R371 HydrophobicContact CE1-CB 3.56Å; F302-R371 HydrophobicContact CE2-CB 4.27Å; F302-R371 HydrophobicContact CG-CB 4.3Å; F302-R371 HydrophobicContact CZ-CB 3.79Å; K303-R371 VanDerWaalsContact O-CZ 3.32Å; K303-R371 PolarHBondContact O-NH1 2.88Å; K303-R371 PolarHBondContact O-NH2 2.88Å; I369-R371 HydrophobicContact CG2-CG 4.22Å; R371-D411 IonicContact CZ-OD1 2.88Å; R371-D411 IonicContact CZ-OD2 3.2Å; R371-D411 IonicContact NE-OD1 3.84Å; R371-D411 PolarHBondContact NE-OD1 3.45Å; R371-D411 IonicContact NE-OD2 3.86Å; R371-D411 PolarHBondContact NE-OD2 3.31Å; R371-D411 IonicContact NH2-OD1 2.73Å; R371-D411 IonicContact NH2-OD2 2.72Å; R371-D411 PolarHBondContact NH2-OD2 3.19Å; R371-P447 HydrophobicContact CG-CB 4.06Å; R371-P447 HydrophobicContact CG-CG 4.26Å; R371-V480 WeakPolarHBondContact O-CA 3.37Å; R371-G481 PolarHBondContact N-O 3.4Å; R371-G481 PolarHBondContact O-N 3.48Å; R371-Y483 HydrophobicContact CB-CE2 4.18Å; R371-Y483 HydrophobicContact CG-CD2 4.16Å; R371-Y483 HydrophobicContact CG-CE2 4.2Å
372	F	96	Very high	90.8	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.8	178.3	-65.9	-94.7	0	0	0	109	F302 I320 M370 D411 S412 L413 P414 L417 I419 L466 V479 V480	F302-F372 VanDerWaalsContact CE1-C 3.49Å; I320-F372 HydrophobicContact CD1-CD1 3.86Å; I320-F372 HydrophobicContact CD1-CE1 3.9Å; M370-F372 HydrophobicContact CE-CE1 4.49Å; M370-F372 HydrophobicContact CE-CE2 4.47Å; M370-F372 HydrophobicContact CE-CZ 3.83Å; M370-F372 HydrophobicContact CG-CD2 4.47Å; M370-F372 HydrophobicContact CG-CE2 3.68Å; M370-F372 HydrophobicContact CG-CZ 3.99Å; M370-F372 HydrophobicContact SD-CE2 4.08Å; M370-F372 HydrophobicContact SD-CZ 3.94Å; F372-D411 CarbonylContact O-C 3.57Å; F372-D411 VanDerWaalsContact O-CA 3.3Å; F372-D411 WeakPolarHBondContact O-CA 3.31Å; F372-S412 CarbonylContact C-O 3.41Å; F372-S412 VanDerWaalsContact C-O 3.25Å; F372-S412 WeakPolarHBondContact CB-O 3.44Å; F372-S412 PolarHBondContact O-N 3.27Å; F372-L413 HydrophobicContact CB-CD2 4.3Å; F372-L413 HydrophobicContact CD2-CD2 3.78Å; F372-L413 HydrophobicContact CG-CD2 4.31Å; F372-P414 HydrophobicContact CD1-CG 4.04Å; F372-L417 HydrophobicContact CD2-CD2 4.28Å; F372-L417 HydrophobicContact CE1-CD1 4.08Å; F372-L417 HydrophobicContact CE1-CD2 4.33Å; F372-L417 HydrophobicContact CE2-CD2 3.91Å; F372-L417 HydrophobicContact CZ-CD1 4.16Å; F372-L417 HydrophobicContact CZ-CD2 3.94Å; F372-I419 HydrophobicContact CE2-CD1 3.7Å; F372-I419 HydrophobicContact CZ-CD1 3.79Å; F372-I419 HydrophobicContact CZ-CG1 4.43Å; F372-L466 HydrophobicContact CE1-CD1 4.22Å; F372-L466 HydrophobicContact CE1-CD2 4.39Å; F372-L466 HydrophobicContact CZ-CD2 3.97Å; F372-V479 CarbonylContact C-O 3.53Å; F372-V479 VanDerWaalsContact CA-O 3.24Å; F372-V479 WeakPolarHBondContact CA-O 3.46Å; F372-V480 HydrophobicContact CD1-CB 4.18Å; F372-V480 HydrophobicContact CD1-CG2 4.16Å; F372-V480 HydrophobicContact CE1-CB 4.14Å; F372-V480 HydrophobicContact CE1-CG2 3.8Å; F372-V480 HydrophobicContact CZ-CG2 4.13Å
373	A	94.8	Very high	91.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.5	176.3	0	0	0	0	0	110	F300 F302 A409 N478 V479	F300-A373 HydrophobicContact CZ-CB 4.31Å; F302-A373 HydrophobicContact CD1-CB 4.14Å; F302-A373 HydrophobicContact CE1-CB 3.54Å; F302-A373 HydrophobicContact CZ-CB 4.14Å; A373-A409 HydrophobicContact CB-CB 3.86Å; A373-N478 CarbonylContact O-C 3.58Å; A373-N478 WeakPolarHBondContact O-CA 3.45Å; A373-V479 HydrophobicContact CB-CB 4.4Å; A373-V479 PolarHBondContact N-O 2.97Å; A373-V479 PolarHBondContact O-N 3.06Å
374	R	92.6	Very high	91.5	Very high	123 Å²	123	28 Å²	28	46%	0.464	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.4	173	175.6	172.4	171.6	-111.6	1.9	109	Y477	R374-Y477 WeakPolarHBondContact CA-O 3.26Å
375	L	91.8	Very high	91.5	Very high	2 Å²	2	33 Å²	33	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122	162.1	-56.6	178	0	0	0	107.3	L297 F300 I319 A379 L383 T476 Y477 V479	L297-L375 HydrophobicContact CD1-CD1 4.32Å; F300-L375 HydrophobicContact CE2-CD2 3.74Å; F300-L375 HydrophobicContact CZ-CD2 4.17Å; I319-L375 HydrophobicContact CD1-CD1 4.04Å; I319-L375 HydrophobicContact CG1-CD1 4.21Å; L375-A379 HydrophobicContact CD2-CB 4.19Å; L375-L383 HydrophobicContact CD1-CD1 4.03Å; L375-L383 HydrophobicContact CD2-CD1 3.81Å; L375-T476 CarbonylContact O-C 3.52Å; L375-T476 VanDerWaalsContact O-CA 3.25Å; L375-T476 WeakPolarHBondContact O-CA 3.37Å; L375-T476 WeakPolarHBondContact O-CB 3.08Å; L375-Y477 PolarHBondContact N-O 3.26Å; L375-Y477 PolarHBondContact O-N 3.17Å; L375-V479 HydrophobicContact CD1-CG2 3.67Å; L375-V479 HydrophobicContact CD2-CG2 4.28Å; L375-V479 HydrophobicContact CG-CG2 3.78Å
376	D	90.9	Very high	91.5	Very high	62 Å²	62	33.5 Å²	33.5	33%	0.332	17%	0.167	S	C	.	.			trans	-92.4	176.6	164.9	64.8	25	0	0	0	110.1	Q378 A379 C380 T476	D376-Q378 PolarHBondContact O-N 2.94Å; D376-Q378 PolarHBondContact OD1-N 2.82Å; D376-A379 PolarHBondContact O-N 2.95Å; D376-A379 PolarHBondContact OD1-N 3.25Å; D376-C380 PolarHBondContact O-N 2.85Å; D376-T476 HydrophobicContact CB-CG2 4.08Å
377	P	90.2	Very high	91.1	Very high	52 Å²	52	33.7 Å²	33.7	34%	0.338	17%	0.167	S	C	.	.	H	α-helix	trans	-61.9	-29.9	-174.3	-25.9	38	0	0	0	113	V287 Q381	V287-P377 HydrophobicContact CG2-CB 4.37Å; P377-Q381 VanDerWaalsContact O-CB 3.3Å; P377-Q381 WeakPolarHBondContact O-CB 3.38Å; P377-Q381 PolarHBondContact O-N 3.17Å
378	Q	89.3	Confident	90.5	Very high	115 Å²	115	35.8 Å²	35.8	54%	0.537	18%	0.177	S	C	.	.	H	α-helix	trans	-71.5	-49.3	176	-170.5	62.9	54.3	0	0	110.7	D376 C380 Q381 D382	D376-Q378 PolarHBondContact O-N 2.94Å; D376-Q378 PolarHBondContact OD1-N 2.82Å; Q378-C380 PolarHBondContact O-N 3.04Å; Q378-Q381 WeakPolarHBondContact O-CA 3.44Å; Q378-Q381 WeakPolarHBondContact O-CB 3.36Å; Q378-Q381 PolarHBondContact O-N 3.21Å; Q378-D382 PolarHBondContact NE2-OD1 3.23Å; Q378-D382 PolarHBondContact O-N 3.28Å
379	A	89	Confident	89.6	Confident	21 Å²	21	37.9 Å²	37.9	17%	0.174	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-34.6	176.1	0	0	0	0	0	112.5	L375 D376 L383	L375-A379 HydrophobicContact CD2-CB 4.19Å; D376-A379 PolarHBondContact O-N 2.95Å; D376-A379 PolarHBondContact OD1-N 3.25Å; A379-L383 WeakPolarHBondContact O-CB 3.47Å; A379-L383 WeakPolarHBondContact O-CD1 3.32Å; A379-L383 WeakPolarHBondContact O-CG 3.39Å; A379-L383 PolarHBondContact O-N 3.23Å; A379-L383 VanDerWaalsContact O-N 3.13Å
380	C	89.3	Confident	88.3	Confident	2 Å²	2	44 Å²	44	1%	0.014	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-46.8	170.5	-76.9	0	0	0	0	112.1	F291 D376 Q378 L383 V384	F291-C380 HydrophobicContact CE1-CB 4.48Å; F291-C380 HydrophobicContact CE2-CB 3.8Å; F291-C380 HydrophobicContact CZ-CB 3.61Å; D376-C380 PolarHBondContact O-N 2.85Å; Q378-C380 PolarHBondContact O-N 3.04Å; C380-L383 PolarHBondContact O-N 2.83Å; C380-V384 WeakPolarHBondContact O-CG2 3.26Å; C380-V384 PolarHBondContact O-N 3.35Å
381	Q	87.6	Confident	86.2	Confident	68 Å²	68	48.2 Å²	48.2	32%	0.318	26%	0.255	S	S	.	.	H	α-helix	trans	-60.2	-46.7	177.8	177.5	59	27.9	0	0	111.9	P377 Q378 L383 V384 Q385 Y390	P377-Q381 VanDerWaalsContact O-CB 3.3Å; P377-Q381 WeakPolarHBondContact O-CB 3.38Å; P377-Q381 PolarHBondContact O-N 3.17Å; Q378-Q381 WeakPolarHBondContact O-CA 3.44Å; Q378-Q381 WeakPolarHBondContact O-CB 3.36Å; Q378-Q381 PolarHBondContact O-N 3.21Å; Q381-L383 VanDerWaalsContact C-N 3.31Å; Q381-L383 PolarHBondContact O-N 3.15Å; Q381-V384 PolarHBondContact O-N 2.81Å; Q381-Q385 PolarHBondContact O-N 3.01Å; Q381-Y390 VanDerWaalsContact CD-OH 3.29Å; Q381-Y390 PolarHBondContact NE2-OH 3.4Å; Q381-Y390 PolarHBondContact OE1-OH 3.33Å
382	D	87.8	Confident	83.6	Confident	55 Å²	55	51.9 Å²	51.9	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-60.8	-39.7	178.1	-60.1	-19.1	0	0	0	111.1	Q378 Q385 A386	Q378-D382 PolarHBondContact NE2-OD1 3.23Å; Q378-D382 PolarHBondContact O-N 3.28Å; D382-Q385 PolarHBondContact O-N 3.13Å; D382-A386 WeakPolarHBondContact O-CB 3.3Å; D382-A386 PolarHBondContact O-N 3.03Å
383	L	88.5	Confident	81	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-68.2	-40.2	175.1	-73	169.5	0	0	0	112.8	L293 L297 F300 L375 A379 C380 Q381 Q385 A386 Y387 I406	L293-L383 HydrophobicContact CD1-CB 4.26Å; L293-L383 HydrophobicContact CD1-CD1 4.41Å; L293-L383 HydrophobicContact CD2-CB 3.85Å; L297-L383 HydrophobicContact CD1-CD1 4.29Å; F300-L383 HydrophobicContact CD2-CD1 4.25Å; F300-L383 HydrophobicContact CD2-CD2 4.16Å; F300-L383 HydrophobicContact CE2-CD1 4.37Å; L375-L383 HydrophobicContact CD1-CD1 4.03Å; L375-L383 HydrophobicContact CD2-CD1 3.81Å; A379-L383 WeakPolarHBondContact O-CB 3.47Å; A379-L383 WeakPolarHBondContact O-CD1 3.32Å; A379-L383 WeakPolarHBondContact O-CG 3.39Å; A379-L383 PolarHBondContact O-N 3.23Å; A379-L383 VanDerWaalsContact O-N 3.13Å; C380-L383 PolarHBondContact O-N 2.83Å; Q381-L383 VanDerWaalsContact C-N 3.31Å; Q381-L383 PolarHBondContact O-N 3.15Å; L383-Q385 VanDerWaalsContact C-N 3.26Å; L383-Q385 PolarHBondContact O-N 3.09Å; L383-A386 PolarHBondContact O-N 3.49Å; L383-Y387 HydrophobicContact CB-CD2 4.36Å; L383-Y387 HydrophobicContact CB-CE2 4.19Å; L383-Y387 HydrophobicContact CD2-CE2 3.85Å; L383-Y387 WeakPolarHBondContact O-CD2 3.36Å; L383-Y387 PolarHBondContact O-N 3.02Å; L383-I406 HydrophobicContact CD2-CD1 4.44Å; L383-I406 HydrophobicContact CD2-CG2 3.75Å
384	V	88.1	Confident	78.6	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.03	36%	0.363	C	S	.	.	H	α-helix	trans	-61.6	-38.6	175.4	175	0	0	0	0	110.5	F291 L293 C380 Q381 E388 L389 Y390	F291-V384 HydrophobicContact CB-CG2 4.23Å; F291-V384 HydrophobicContact CD2-CG2 3.53Å; F291-V384 HydrophobicContact CE2-CG2 4.27Å; F291-V384 HydrophobicContact CG-CG2 4.23Å; L293-V384 HydrophobicContact CD2-CB 4.47Å; L293-V384 HydrophobicContact CD2-CG2 3.66Å; L293-V384 HydrophobicContact CG-CG2 4.02Å; C380-V384 WeakPolarHBondContact O-CG2 3.26Å; C380-V384 PolarHBondContact O-N 3.35Å; Q381-V384 PolarHBondContact O-N 2.81Å; V384-E388 PolarHBondContact O-N 2.89Å; V384-L389 HydrophobicContact CG1-CB 4.19Å; V384-L389 PolarHBondContact O-N 3.01Å; V384-L389 VanDerWaalsContact O-N 3.13Å; V384-Y390 HydrophobicContact CB-CE2 4.29Å; V384-Y390 HydrophobicContact CG1-CD2 3.94Å; V384-Y390 HydrophobicContact CG1-CE1 4.32Å; V384-Y390 HydrophobicContact CG1-CE2 3.47Å; V384-Y390 VanDerWaalsContact CG1-CE2 3.47Å
385	Q	86.4	Confident	76.2	Confident	131 Å²	131	72 Å²	72	61%	0.612	38%	0.384	S	S	*	.	H	α-helix	trans	-68.9	-45.5	174.4	-177.9	171.9	-14	0	0	112.5	Q381 D382 L383 Y387 E388	Q381-Q385 PolarHBondContact O-N 3.01Å; D382-Q385 PolarHBondContact O-N 3.13Å; L383-Q385 VanDerWaalsContact C-N 3.26Å; L383-Q385 PolarHBondContact O-N 3.09Å; Q385-Y387 VanDerWaalsContact C-N 3.31Å; Q385-Y387 PolarHBondContact O-N 3.11Å; Q385-E388 PolarHBondContact O-N 2.86Å; Q385-E388 VanDerWaalsContact O-N 3.14Å
386	A	85.1	Confident	74.2	Confident	19 Å²	19	74.8 Å²	74.8	16%	0.157	40%	0.403	C	S	.	.	H	α-helix	trans	-63.7	-33.6	180	0	0	0	0	0	113.2	D382 L383 E388 I406	D382-A386 WeakPolarHBondContact O-CB 3.3Å; D382-A386 PolarHBondContact O-N 3.03Å; L383-A386 PolarHBondContact O-N 3.49Å; A386-E388 VanDerWaalsContact C-N 3.33Å; A386-I406 HydrophobicContact CB-CD1 4.38Å; A386-I406 HydrophobicContact CB-CG1 3.94Å
387	Y	85.3	Confident	72.4	Confident	3 Å²	3	76.6 Å²	76.6	1%	0.012	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	7.8	175.7	-63.1	-50.6	0	0	0	114.5	L293 P294 L297 P298 L383 Q385 L389 L398 I406	L293-Y387 HydrophobicContact CD2-CD2 3.99Å; L293-Y387 HydrophobicContact CD2-CE2 4.45Å; P294-Y387 HydrophobicContact CG-CD2 4.15Å; P294-Y387 HydrophobicContact CG-CE2 4.31Å; P294-Y387 HydrophobicContact CG-CG 4.49Å; L297-Y387 HydrophobicContact CD2-CE2 4.1Å; P298-Y387 HydrophobicContact CB-CE1 4.49Å; P298-Y387 HydrophobicContact CG-CE1 4.49Å; P298-Y387 VanDerWaalsContact O-CE1 3.27Å; P298-Y387 WeakPolarHBondContact O-CE1 3.45Å; P298-Y387 PolarHBondContact O-OH 3.14Å; L383-Y387 HydrophobicContact CB-CD2 4.36Å; L383-Y387 HydrophobicContact CB-CE2 4.19Å; L383-Y387 HydrophobicContact CD2-CE2 3.85Å; L383-Y387 WeakPolarHBondContact O-CD2 3.36Å; L383-Y387 PolarHBondContact O-N 3.02Å; Q385-Y387 VanDerWaalsContact C-N 3.31Å; Q385-Y387 PolarHBondContact O-N 3.11Å; Y387-L389 WeakPolarHBondContact O-CD2 3.45Å; Y387-L389 WeakPolarHBondContact O-CG 3.21Å; Y387-L389 PolarHBondContact O-N 3.21Å; Y387-L398 HydrophobicContact CD1-CD2 3.99Å; Y387-I406 HydrophobicContact CE1-CD1 4.21Å
388	E	82.3	Confident	70.7	Confident	69 Å²	69	76.1 Å²	76.1	32%	0.322	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	25.3	179.8	-52.5	-162.8	154.3	0	0	115.3	V384 Q385 A386 Y390 S396 K402	V384-E388 PolarHBondContact O-N 2.89Å; Q385-E388 PolarHBondContact O-N 2.86Å; Q385-E388 VanDerWaalsContact O-N 3.14Å; A386-E388 VanDerWaalsContact C-N 3.33Å; E388-Y390 PolarHBondContact O-N 3.09Å; E388-S396 VanDerWaalsContact OE2-CB 3.23Å; E388-S396 WeakPolarHBondContact OE2-CB 3.46Å; E388-S396 PolarHBondContact OE2-OG 3.27Å; E388-K402 IonicContact OE1-NZ 3.49Å; E388-K402 PolarHBondContact OE1-NZ 3.16Å
389	L	78.5	Confident	69	Low	46 Å²	46	73 Å²	73	24%	0.241	41%	0.406	C	S	.	.			trans	-75.8	4.5	-166.4	-60.6	176.6	0	0	0	115.2	I278 L281 R292 L293 V384 Y387 G391	I278-L389 HydrophobicContact CD1-CD2 4.12Å; L281-L389 HydrophobicContact CD1-CD2 4.09Å; L281-L389 HydrophobicContact CD2-CD1 3.94Å; L281-L389 HydrophobicContact CD2-CD2 4.12Å; R292-L389 VanDerWaalsContact O-CD1 3.23Å; R292-L389 WeakPolarHBondContact O-CD1 3.39Å; L293-L389 HydrophobicContact CD2-CD1 4.21Å; V384-L389 HydrophobicContact CG1-CB 4.19Å; V384-L389 PolarHBondContact O-N 3.01Å; V384-L389 VanDerWaalsContact O-N 3.13Å; Y387-L389 WeakPolarHBondContact O-CD2 3.45Å; Y387-L389 WeakPolarHBondContact O-CG 3.21Å; Y387-L389 PolarHBondContact O-N 3.21Å; L389-G391 PolarHBondContact O-N 3.01Å; L389-G391 VanDerWaalsContact O-N 3.09Å
390	Y	67.9	Low	67.2	Low	129 Å²	129	76.1 Å²	76.1	51%	0.506	43%	0.426	S	S	.	.	S	Bend	trans	-81.8	77.5	179.1	-79.8	-69.1	0	0	0	113.9	Q381 V384 E388 S392	Q381-Y390 VanDerWaalsContact CD-OH 3.29Å; Q381-Y390 PolarHBondContact NE2-OH 3.4Å; Q381-Y390 PolarHBondContact OE1-OH 3.33Å; V384-Y390 HydrophobicContact CB-CE2 4.29Å; V384-Y390 HydrophobicContact CG1-CD2 3.94Å; V384-Y390 HydrophobicContact CG1-CE1 4.32Å; V384-Y390 HydrophobicContact CG1-CE2 3.47Å; V384-Y390 VanDerWaalsContact CG1-CE2 3.47Å; E388-Y390 PolarHBondContact O-N 3.09Å; Y390-S392 PolarHBondContact O-N 2.68Å
391	G	53.4	Low	65.5	Low	88 Å²	88	81.6 Å²	81.6	91%	0.907	46%	0.456	S	S	*	.	S	Bend	trans	58.3	-5.2	145.7	0	0	0	0	0	120.5	L389	L389-G391 PolarHBondContact O-N 3.01Å; L389-G391 VanDerWaalsContact O-N 3.09Å
392	S	40.9	Very low	63.9	Low	93 Å²	93	82.2 Å²	82.2	65%	0.65	46%	0.457	S	S	*	.			trans	-103	140.4	-169.6	-165.3	0	0	0	0	111.4	Y390 K394	Y390-S392 PolarHBondContact O-N 2.68Å; S392-K394 PolarHBondContact O-N 3.13Å
393	R	40.3	Very low	62.3	Low	254 Å²	254	81.3 Å²	81.3	96%	0.958	45%	0.452	S	S	*	.	S	Bend	trans	-78.6	62	-172	-60.8	-174.6	-172.6	178	2.9	112.8
394	K	45	Very low	60.6	Low	166 Å²	166	87.6 Å²	87.6	72%	0.722	48%	0.484	S	S	*	.			trans	-130.5	97.4	171.8	-67.8	-174.7	-179.9	-179.6	0	109.1	S392 S396	S392-K394 PolarHBondContact O-N 3.13Å; K394-S396 PolarHBondContact O-N 3.19Å; K394-S396 PolarHBondContact O-OG 3.47Å
395	S	42.1	Very low	59.3	Low	129 Å²	129	94.8 Å²	94.8	90%	0.902	52%	0.518	S	S	*	.			trans	-77.5	68.2	172	56.1	0	0	0	0	110.2
396	S	49.9	Very low	58.6	Low	59 Å²	59	89.4 Å²	89.4	41%	0.413	49%	0.493	S	S	.	.			trans	-67.2	135.7	168	-13	0	0	0	0	109	E388 K394 L398	E388-S396 VanDerWaalsContact OE2-CB 3.23Å; E388-S396 WeakPolarHBondContact OE2-CB 3.46Å; E388-S396 PolarHBondContact OE2-OG 3.27Å; K394-S396 PolarHBondContact O-N 3.19Å; K394-S396 PolarHBondContact O-OG 3.47Å; S396-L398 PolarHBondContact O-N 2.99Å
397	S	53.2	Low	57.6	Low	100 Å²	100	91.9 Å²	91.9	70%	0.699	51%	0.507	S	S	*	.			trans	-65.8	129.3	158.8	51.9	0	0	0	0	108.6	S399	S397-S399 PolarHBondContact O-N 3.41Å
398	L	54.4	Low	57.3	Low	42 Å²	42	96.5 Å²	96.5	22%	0.22	53%	0.532	C	S	.	.			trans	-55.9	114.7	170.6	-87	80.8	0	0	0	109.1	I278 Y387 S396 L403	I278-L398 HydrophobicContact CD1-CD1 3.98Å; I278-L398 HydrophobicContact CG1-CD1 4.41Å; Y387-L398 HydrophobicContact CD1-CD2 3.99Å; S396-L398 PolarHBondContact O-N 2.99Å; L398-L403 HydrophobicContact CB-CD1 4.3Å; L398-L403 HydrophobicContact CD2-CD1 4.36Å; L398-L403 HydrophobicContact CD2-CG 4.43Å
399	S	53.2	Low	57.4	Low	50 Å²	50	94 Å²	94	35%	0.35	52%	0.523	S	S	.	.			trans	-71	140.9	169.1	53.9	0	0	0	0	109.2	S397 D401 K402	S397-S399 PolarHBondContact O-N 3.41Å; S399-D401 PolarHBondContact O-N 3.1Å; S399-K402 PolarHBondContact O-N 2.99Å
400	S	52.6	Low	57.8	Low	87 Å²	87	97.7 Å²	97.7	61%	0.608	54%	0.539	S	S	*	.	H	α-helix	trans	-53.4	-32.5	179.6	-53.8	0	0	0	0	112.4	K402 L403 I404	S400-K402 PolarHBondContact O-N 3.17Å; S400-L403 PolarHBondContact O-N 2.82Å; S400-L403 VanDerWaalsContact O-N 3.09Å; S400-I404 PolarHBondContact O-N 2.83Å
401	D	52.9	Low	59	Low	117 Å²	117	92.9 Å²	92.9	63%	0.626	52%	0.522	S	S	*	.	H	α-helix	trans	-62.8	-26.7	-179.5	-44.1	-51.1	0	0	0	113.4	S399	S399-D401 PolarHBondContact O-N 3.1Å
402	K	54.8	Low	60.8	Low	81 Å²	81	90.9 Å²	90.9	35%	0.352	49%	0.494	S	S	.	.	H	α-helix	trans	-77.5	-32.5	173.9	-73.7	-167.2	174.2	-168.1	0	112.9	E388 S399 S400 I404 Q405	E388-K402 IonicContact OE1-NZ 3.49Å; E388-K402 PolarHBondContact OE1-NZ 3.16Å; S399-K402 PolarHBondContact O-N 2.99Å; S400-K402 PolarHBondContact O-N 3.17Å; K402-I404 PolarHBondContact O-N 3.44Å; K402-Q405 WeakPolarHBondContact O-CB 3.47Å; K402-Q405 PolarHBondContact O-N 3.47Å; K402-Q405 VanDerWaalsContact O-N 3.1Å
403	L	54.3	Low	63.3	Low	35 Å²	35	87.7 Å²	87.7	18%	0.183	47%	0.47	C	S	.	.	H	α-helix	trans	-66.4	-27.1	175.4	-74.1	126.2	0	0	0	111.9	P298 L398 S400 Q405 I406	P298-L403 WeakPolarHBondContact O-CD2 3.4Å; L398-L403 HydrophobicContact CB-CD1 4.3Å; L398-L403 HydrophobicContact CD2-CD1 4.36Å; L398-L403 HydrophobicContact CD2-CG 4.43Å; S400-L403 PolarHBondContact O-N 2.82Å; S400-L403 VanDerWaalsContact O-N 3.09Å; L403-Q405 PolarHBondContact O-N 3.16Å; L403-I406 HydrophobicContact CD2-CD1 4.26Å; L403-I406 PolarHBondContact O-N 2.88Å
404	I	52.8	Low	65.8	Low	137 Å²	137	75.9 Å²	75.9	70%	0.703	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.9	173.6	-60.6	174.1	0	0	0	112.1	S400 K402	S400-I404 PolarHBondContact O-N 2.83Å; K402-I404 PolarHBondContact O-N 3.44Å
405	Q	60.1	Low	67.9	Low	156 Å²	156	71 Å²	71	73%	0.729	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.4	179.9	-59.1	-170.6	-53.1	0	0	114.3	K402 L403 P407	K402-Q405 WeakPolarHBondContact O-CB 3.47Å; K402-Q405 PolarHBondContact O-N 3.47Å; K402-Q405 VanDerWaalsContact O-N 3.1Å; L403-Q405 PolarHBondContact O-N 3.16Å; Q405-P407 WeakPolarHBondContact O-CD 3.47Å
406	I	70.7	Confident	70.2	Confident	18 Å²	18	68.8 Å²	68.8	9%	0.092	39%	0.385	C	S	.	.	S	Bend	trans	-71.6	122.3	179.1	-61.8	176.5	0	0	0	109.3	F300 L383 A386 Y387 L403 L408	F300-I406 HydrophobicContact CD2-CG2 4.44Å; L383-I406 HydrophobicContact CD2-CD1 4.44Å; L383-I406 HydrophobicContact CD2-CG2 3.75Å; A386-I406 HydrophobicContact CB-CD1 4.38Å; A386-I406 HydrophobicContact CB-CG1 3.94Å; Y387-I406 HydrophobicContact CE1-CD1 4.21Å; L403-I406 HydrophobicContact CD2-CD1 4.26Å; L403-I406 PolarHBondContact O-N 2.88Å; I406-L408 PolarHBondContact O-N 3.08Å
407	P	65.4	Low	72.3	Confident	71 Å²	71	66 Å²	66	46%	0.461	37%	0.366	S	S	.	.			trans	-65.9	131.5	-175.9	25	-33.5	0	0	0	112.2	Q405 A409	Q405-P407 WeakPolarHBondContact O-CD 3.47Å; P407-A409 PolarHBondContact O-N 3.22Å
408	L	78.4	Confident	74.3	Confident	100 Å²	100	65.3 Å²	65.3	52%	0.524	35%	0.353	S	S	.	.			trans	-65.1	114.2	179.1	-74.7	168.6	0	0	0	111.4	H301 K303 I406	H301-L408 HydrophobicContact CB-CD2 3.7Å; K303-L408 HydrophobicContact CB-CB 4.22Å; I406-L408 PolarHBondContact O-N 3.08Å
409	A	84.5	Confident	76.3	Confident	17 Å²	17	63.3 Å²	63.3	14%	0.14	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-77.3	132.4	-176	0	0	0	0	0	112.6	F300 H301 F302 K303 A373 P407	F300-A409 HydrophobicContact CE1-CB 3.99Å; F300-A409 HydrophobicContact CE2-CB 4.11Å; F300-A409 HydrophobicContact CZ-CB 3.38Å; H301-A409 PolarHBondContact O-N 3.4Å; H301-A409 VanDerWaalsContact O-N 3.15Å; F302-A409 CarbonylContact C-O 3.55Å; F302-A409 WeakPolarHBondContact CA-O 3.08Å; K303-A409 PolarHBondContact N-O 3.35Å; A373-A409 HydrophobicContact CB-CB 3.86Å; P407-A409 PolarHBondContact O-N 3.22Å
410	E	87.8	Confident	78.4	Confident	122 Å²	122	64.3 Å²	64.3	57%	0.57	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-76.7	154.2	171.4	-53.4	-155.5	133.9	0	0	111.4	K303 S412	K303-E410 HydrophobicContact CD-CG 3.88Å; K303-E410 WeakPolarHBondContact CD-OE1 3.46Å; K303-E410 IonicContact NZ-OE1 3.75Å; K303-E410 PolarHBondContact NZ-OE1 3.18Å; E410-S412 PolarHBondContact O-N 2.87Å
411	D	91.9	Very high	80.5	Confident	29 Å²	29	60.2 Å²	60.2	16%	0.155	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-61.1	137.7	175.7	-65.1	-83.2	0	0	0	110.7	R371 F372 P445	R371-D411 IonicContact CZ-OD1 2.88Å; R371-D411 IonicContact CZ-OD2 3.2Å; R371-D411 IonicContact NE-OD1 3.84Å; R371-D411 PolarHBondContact NE-OD1 3.45Å; R371-D411 IonicContact NE-OD2 3.86Å; R371-D411 PolarHBondContact NE-OD2 3.31Å; R371-D411 IonicContact NH2-OD1 2.73Å; R371-D411 IonicContact NH2-OD2 2.72Å; R371-D411 PolarHBondContact NH2-OD2 3.19Å; F372-D411 CarbonylContact O-C 3.57Å; F372-D411 VanDerWaalsContact O-CA 3.3Å; F372-D411 WeakPolarHBondContact O-CA 3.31Å; D411-P445 HydrophobicContact CB-CB 4.28Å; D411-P445 WeakPolarHBondContact O-CB 3.47Å
412	S	92	Very high	82.6	Confident	45 Å²	45	56.3 Å²	56.3	32%	0.315	29%	0.292	S	S	.	.			trans	-151.9	119.5	178.1	-141.3	0	0	0	0	109.5	F372 E410	F372-S412 CarbonylContact C-O 3.41Å; F372-S412 VanDerWaalsContact C-O 3.25Å; F372-S412 WeakPolarHBondContact CB-O 3.44Å; F372-S412 PolarHBondContact O-N 3.27Å; E410-S412 PolarHBondContact O-N 2.87Å
413	L	93.2	Very high	84.5	Confident	27 Å²	27	55.5 Å²	55.5	14%	0.141	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-88.6	128.1	-177.4	-63.7	173.9	0	0	0	110.5	F372 L417 P429 R443 I448	F372-L413 HydrophobicContact CB-CD2 4.3Å; F372-L413 HydrophobicContact CD2-CD2 3.78Å; F372-L413 HydrophobicContact CG-CD2 4.31Å; L413-L417 HydrophobicContact CD2-CD2 4.06Å; L413-P429 HydrophobicContact CD1-CG 4.25Å; L413-R443 HydrophobicContact CD1-CB 3.85Å; L413-I448 HydrophobicContact CD1-CD1 4.38Å; L413-I448 HydrophobicContact CD2-CD1 4.22Å; L413-I448 HydrophobicContact CD2-CG1 4.1Å
414	P	92.4	Very high	86.5	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.032	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-52.5	149.4	174.6	-27.6	31	0	0	0	114.2	F372 H416 L417 W468 N478	F372-P414 HydrophobicContact CD1-CG 4.04Å; P414-H416 PolarHBondContact O-N 2.96Å; P414-L417 HydrophobicContact CB-CB 4.29Å; P414-L417 HydrophobicContact CB-CD1 4.4Å; P414-L417 HydrophobicContact CG-CD1 4.26Å; P414-L417 WeakPolarHBondContact O-CB 3.47Å; P414-L417 PolarHBondContact O-N 3.46Å; P414-W468 HydrophobicContact CB-CB 3.79Å; P414-W468 HydrophobicContact CB-CG 4.22Å; P414-N478 HydrophobicContact CG-CB 4.02Å; P414-N478 WeakPolarHBondContact CG-OD1 3.35Å
415	V	88.8	Confident	88.5	Confident	63 Å²	63	59.4 Å²	59.4	38%	0.382	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	135.4	177.4	-172.5	0	0	0	0	109.5	L417 D440 T469	V415-L417 PolarHBondContact O-N 3.03Å; V415-L417 VanDerWaalsContact O-N 3.13Å; V415-D440 HydrophobicContact CG1-CB 4.11Å; V415-T469 PolarHBondContact O-N 3.3Å
416	H	90.1	Very high	90.2	Very high	84 Å²	84	53.2 Å²	53.2	39%	0.389	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	26.7	-173.9	-50.6	128.5	0	0	0	115.5	P414 I418 D440 T469	P414-H416 PolarHBondContact O-N 2.96Å; H416-I418 PolarHBondContact O-N 2.97Å; H416-D440 IonicContact CE1-OD1 2.66Å; H416-T469 PolarHBondContact ND1-OG1 3.34Å
417	L	94.3	Very high	91.2	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	33%	0.332	C	S	.	.			trans	-52.7	132.4	176.6	-177.1	73	0	0	0	111.8	F372 L413 P414 V415 I419 L428 R443 T467 W468	F372-L417 HydrophobicContact CD2-CD2 4.28Å; F372-L417 HydrophobicContact CE1-CD1 4.08Å; F372-L417 HydrophobicContact CE1-CD2 4.33Å; F372-L417 HydrophobicContact CE2-CD2 3.91Å; F372-L417 HydrophobicContact CZ-CD1 4.16Å; F372-L417 HydrophobicContact CZ-CD2 3.94Å; L413-L417 HydrophobicContact CD2-CD2 4.06Å; P414-L417 HydrophobicContact CB-CB 4.29Å; P414-L417 HydrophobicContact CB-CD1 4.4Å; P414-L417 HydrophobicContact CG-CD1 4.26Å; P414-L417 WeakPolarHBondContact O-CB 3.47Å; P414-L417 PolarHBondContact O-N 3.46Å; V415-L417 PolarHBondContact O-N 3.03Å; V415-L417 VanDerWaalsContact O-N 3.13Å; L417-I419 HydrophobicContact CD1-CG1 4.33Å; L417-I419 HydrophobicContact CD2-CD1 4.07Å; L417-I419 HydrophobicContact CD2-CG1 4.09Å; L417-I419 HydrophobicContact CG-CG1 4.09Å; L417-L428 HydrophobicContact CB-CD1 4.36Å; L417-L428 HydrophobicContact CD2-CD1 4.1Å; L417-L428 HydrophobicContact CG-CD1 4.08Å; L417-L428 VanDerWaalsContact O-CD1 3.22Å; L417-L428 WeakPolarHBondContact O-CD1 3.4Å; L417-R443 PolarHBondContact O-NH1 2.68Å; L417-R443 PolarHBondContact O-NH2 3.38Å; L417-R443 VanDerWaalsContact O-NH2 3.12Å; L417-T467 CarbonylContact C-O 3.57Å; L417-T467 VanDerWaalsContact CA-O 3.29Å; L417-T467 WeakPolarHBondContact CA-O 3.29Å; L417-W468 HydrophobicContact CD1-CB 4.35Å
418	I	94.8	Very high	92.5	Very high	85 Å²	85	59.6 Å²	59.6	44%	0.436	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.2	164	-53.3	174.5	0	0	0	106.8	H416 T467	H416-I418 PolarHBondContact O-N 2.97Å; I418-T467 PolarHBondContact N-O 3.43Å; I418-T467 PolarHBondContact O-N 3.05Å
419	I	96.9	Very high	92.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.7	174.4	-51.1	-178.8	0	0	0	107.6	M370 F372 L417 V421 I426 L428 I448 I464 L466	M370-I419 HydrophobicContact SD-CD1 4.02Å; M370-I419 HydrophobicContact SD-CG2 4.45Å; F372-I419 HydrophobicContact CE2-CD1 3.7Å; F372-I419 HydrophobicContact CZ-CD1 3.79Å; F372-I419 HydrophobicContact CZ-CG1 4.43Å; L417-I419 HydrophobicContact CD1-CG1 4.33Å; L417-I419 HydrophobicContact CD2-CD1 4.07Å; L417-I419 HydrophobicContact CD2-CG1 4.09Å; L417-I419 HydrophobicContact CG-CG1 4.09Å; I419-V421 HydrophobicContact CG2-CG2 4.09Å; I419-I426 HydrophobicContact CB-CB 4.17Å; I419-I426 HydrophobicContact CB-CG1 4.17Å; I419-I426 HydrophobicContact CG2-CB 4.46Å; I419-I426 HydrophobicContact CG2-CG1 3.93Å; I419-I426 PolarHBondContact O-N 3.16Å; I419-L428 HydrophobicContact CD1-CD2 3.9Å; I419-L428 HydrophobicContact CG1-CD1 4.39Å; I419-L428 HydrophobicContact CG1-CD2 4.26Å; I419-I448 HydrophobicContact CD1-CG2 4.33Å; I419-I464 HydrophobicContact CG2-CG2 4.01Å; I419-L466 HydrophobicContact CB-CD2 4.27Å; I419-L466 HydrophobicContact CD1-CD2 4.32Å; I419-L466 HydrophobicContact CG1-CD2 3.79Å; I419-L466 HydrophobicContact CG2-CD2 3.99Å
420	Q	97.5	Very high	92.9	Very high	71 Å²	71	59.4 Å²	59.4	33%	0.332	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.6	168.2	-64.9	174.6	-22.8	0	0	109.1	R424 P425 I464 K465	Q420-R424 CarbonylContact C-O 3.52Å; Q420-R424 VanDerWaalsContact CA-O 3.28Å; Q420-R424 WeakPolarHBondContact CA-O 3.48Å; Q420-P425 HydrophobicContact CG-CB 4.43Å; Q420-I464 CarbonylContact O-C 3.6Å; Q420-I464 WeakPolarHBondContact O-CA 3.39Å; Q420-K465 HydrophobicContact CB-CB 4.33Å; Q420-K465 PolarHBondContact N-O 2.97Å; Q420-K465 PolarHBondContact O-N 3.26Å
421	V	97.6	Very high	92.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.9	178.6	180	0	0	0	0	107.9	I419 G423 R424 I426 I450 S453 L454 Y463 I464	I419-V421 HydrophobicContact CG2-CG2 4.09Å; V421-G423 PolarHBondContact O-N 2.84Å; V421-R424 PolarHBondContact N-O 3.02Å; V421-R424 WeakPolarHBondContact O-CB 3.27Å; V421-R424 PolarHBondContact O-N 2.89Å; V421-I426 HydrophobicContact CB-CD1 4.11Å; V421-I426 HydrophobicContact CB-CG1 4.42Å; V421-I426 HydrophobicContact CG2-CD1 3.76Å; V421-I426 HydrophobicContact CG2-CG1 3.71Å; V421-I450 HydrophobicContact CG2-CB 4.33Å; V421-I450 HydrophobicContact CG2-CG2 4.29Å; V421-S453 WeakPolarHBondContact CG1-O 3.47Å; V421-L454 HydrophobicContact CG1-CD2 3.43Å; V421-L454 VanDerWaalsContact CG1-CD2 3.43Å; V421-L454 HydrophobicContact CG1-CG 4.02Å; V421-Y463 CarbonylContact C-O 3.49Å; V421-Y463 WeakPolarHBondContact CA-O 3.18Å; V421-I464 HydrophobicContact CG1-CG1 4.42Å; V421-I464 HydrophobicContact CG2-CG1 4.23Å; V421-I464 HydrophobicContact CG2-CG2 4.24Å
422	N	96.7	Very high	92.2	Very high	35 Å²	35	60.3 Å²	60.3	19%	0.187	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	41.9	-175.1	-57.3	-42.6	0	0	0	112.4	R424 S453 N462 Y463	N422-R424 VanDerWaalsContact C-N 3.25Å; N422-R424 PolarHBondContact O-N 3.28Å; N422-S453 PolarHBondContact ND2-O 2.85Å; N422-N462 PolarHBondContact ND2-OD1 3.04Å; N422-N462 WeakPolarHBondContact OD1-CA 3.49Å; N422-Y463 PolarHBondContact N-O 3.43Å; N422-Y463 PolarHBondContact OD1-N 3.06Å
423	G	94.2	Very high	91.5	Very high	64 Å²	64	63.5 Å²	63.5	66%	0.66	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	-8.5	-176.4	0	0	0	0	0	115.8	V421	V421-G423 PolarHBondContact O-N 2.84Å
424	R	96	Very high	90.8	Very high	161 Å²	161	64.1 Å²	64.1	61%	0.608	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.4	-178.1	-58.9	-178.9	179.1	-174	-0.8	111.2	Q420 V421 N422	Q420-R424 CarbonylContact C-O 3.52Å; Q420-R424 VanDerWaalsContact CA-O 3.28Å; Q420-R424 WeakPolarHBondContact CA-O 3.48Å; V421-R424 PolarHBondContact N-O 3.02Å; V421-R424 WeakPolarHBondContact O-CB 3.27Å; V421-R424 PolarHBondContact O-N 2.89Å; N422-R424 VanDerWaalsContact C-N 3.25Å; N422-R424 PolarHBondContact O-N 3.28Å
425	P	95.8	Very high	90.1	Very high	94 Å²	94	71.7 Å²	71.7	61%	0.61	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	135.2	176.9	29.1	-34	0	0	0	111.7	Q420	Q420-P425 HydrophobicContact CG-CB 4.43Å
426	I	95.8	Very high	89.6	Confident	25 Å²	25	77 Å²	77	13%	0.128	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-84.5	135.6	175.9	-58.1	-63.1	0	0	0	110	I419 V421 L428 I448 I450 S453	I419-I426 HydrophobicContact CB-CB 4.17Å; I419-I426 HydrophobicContact CB-CG1 4.17Å; I419-I426 HydrophobicContact CG2-CB 4.46Å; I419-I426 HydrophobicContact CG2-CG1 3.93Å; I419-I426 PolarHBondContact O-N 3.16Å; V421-I426 HydrophobicContact CB-CD1 4.11Å; V421-I426 HydrophobicContact CB-CG1 4.42Å; V421-I426 HydrophobicContact CG2-CD1 3.76Å; V421-I426 HydrophobicContact CG2-CG1 3.71Å; I426-L428 HydrophobicContact CG2-CD2 4.42Å; I426-L428 PolarHBondContact O-N 3.42Å; I426-I448 HydrophobicContact CG2-CG2 3.93Å; I426-I450 HydrophobicContact CD1-CB 4.48Å; I426-I450 HydrophobicContact CD1-CG2 4.16Å; I426-I450 HydrophobicContact CG1-CG2 4.09Å; I426-I450 HydrophobicContact CG2-CG2 4.38Å; I426-S453 WeakPolarHBondContact CD1-OG 3.41Å
427	Q	91.8	Very high	88.9	Confident	191 Å²	191	79.4 Å²	79.4	89%	0.893	43%	0.432	S	S	*	.			trans	-72.4	112.2	171.7	-65	-173.5	7.6	0	0	110.2
428	L	91.7	Very high	87.9	Confident	32 Å²	32	83.1 Å²	83.1	17%	0.168	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-93.5	162.6	176.3	-64	177	0	0	0	110.8	L417 I419 I426 I448	L417-L428 HydrophobicContact CB-CD1 4.36Å; L417-L428 HydrophobicContact CD2-CD1 4.1Å; L417-L428 HydrophobicContact CG-CD1 4.08Å; L417-L428 VanDerWaalsContact O-CD1 3.22Å; L417-L428 WeakPolarHBondContact O-CD1 3.4Å; I419-L428 HydrophobicContact CD1-CD2 3.9Å; I419-L428 HydrophobicContact CG1-CD1 4.39Å; I419-L428 HydrophobicContact CG1-CD2 4.26Å; I426-L428 HydrophobicContact CG2-CD2 4.42Å; I426-L428 PolarHBondContact O-N 3.42Å; L428-I448 HydrophobicContact CD2-CD1 3.87Å; L428-I448 HydrophobicContact CD2-CG1 4.04Å; L428-I448 HydrophobicContact CD2-CG2 3.93Å
429	P	87	Confident	86.9	Confident	12 Å²	12	83 Å²	83	8%	0.078	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-53.7	148.1	172.8	-24.7	34.4	0	0	0	111.8	L413 R443 R446 I448	L413-P429 HydrophobicContact CD1-CG 4.25Å; P429-R443 HydrophobicContact CB-CB 4.38Å; P429-R443 WeakPolarHBondContact O-CD 3.29Å; P429-R443 WeakPolarHBondContact O-CG 3.39Å; P429-R443 PolarHBondContact O-NE 3.21Å; P429-R446 HydrophobicContact CG-CG 3.81Å; P429-I448 HydrophobicContact CG-CD1 4.29Å
430	P	85.1	Confident	86	Confident	101 Å²	101	85 Å²	85	66%	0.656	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-60.2	145.3	178.9	25.3	-34.1	0	0	0	111.1	L432	P430-L432 PolarHBondContact O-N 2.87Å
431	L	83	Confident	85	Confident	86 Å²	86	82.9 Å²	82.9	45%	0.45	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	116.4	169.5	-76.4	160.1	0	0	0	108.1	R443	L431-R443 HydrophobicContact CD2-CG 3.69Å; L431-R443 HydrophobicContact CG-CG 4.04Å
432	L	81.4	Confident	84.2	Confident	84 Å²	84	91.8 Å²	91.8	44%	0.44	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131	171.1	-56.8	-177.9	0	0	0	108.8	P430 G441 R442 N444	P430-L432 PolarHBondContact O-N 2.87Å; L432-G441 CarbonylContact O-C 3.57Å; L432-G441 WeakPolarHBondContact O-CA 3.19Å; L432-R442 WeakPolarHBondContact CB-O 3.14Å; L432-R442 PolarHBondContact N-O 3.34Å; L432-R442 PolarHBondContact O-N 2.88Å; L432-N444 VanDerWaalsContact CD1-OD1 3.29Å; L432-N444 WeakPolarHBondContact CD1-OD1 3.22Å
433	P	77.5	Confident	83.7	Confident	112 Å²	112	92.4 Å²	92.4	73%	0.727	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-65.3	149.5	177.5	28	-34.6	0	0	0	111.2
434	S	78.5	Confident	83.3	Confident	41 Å²	41	93.3 Å²	93.3	29%	0.287	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-88.1	127.9	173.1	173	0	0	0	0	110.5	R436 M439	S434-R436 PolarHBondContact O-N 2.84Å; S434-R436 PolarHBondContact OG-N 3.46Å; S434-R436 PolarHBondContact OG-O 2.88Å; S434-M439 WeakPolarHBondContact CB-O 3.01Å; S434-M439 WeakPolarHBondContact OG-CB 3.25Å
435	N	76.8	Confident	82.9	Confident	164 Å²	164	89.2 Å²	89.2	88%	0.877	49%	0.494	S	S	*	.	S	Bend	trans	-74.2	-2.3	169.5	-68.1	-5.5	0	0	0	113.1
436	R	79.2	Confident	82.6	Confident	175 Å²	175	91.3 Å²	91.3	66%	0.66	49%	0.49	S	S	*	.	S	Bend	trans	-103.9	118.5	176.1	-68.6	179	177	-171.3	0.5	109.5	S434 M439	S434-R436 PolarHBondContact O-N 2.84Å; S434-R436 PolarHBondContact OG-N 3.46Å; S434-R436 PolarHBondContact OG-O 2.88Å; R436-M439 HydrophobicContact CB-CB 4.25Å; R436-M439 HydrophobicContact CB-CG 4.29Å; R436-M439 HydrophobicContact CB-SD 3.78Å; R436-M439 WeakPolarHBondContact CD-SD 3.38Å; R436-M439 HydrophobicContact CG-SD 4.24Å; R436-M439 PolarHBondContact O-N 2.77Å
437	P	76	Confident	82.5	Confident	133 Å²	133	91.1 Å²	91.1	86%	0.864	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	139.8	175.3	-27.3	35.5	0	0	0	112.3	M439	P437-M439 PolarHBondContact O-N 2.71Å
438	G	72.2	Confident	82.6	Confident	79 Å²	79	82.3 Å²	82.3	81%	0.814	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	-5	179.6	0	0	0	0	0	116.1
439	M	74.8	Confident	82.8	Confident	84 Å²	84	83.4 Å²	83.4	41%	0.414	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-93.6	136.1	170.5	-79.7	179.4	51.4	0	0	111.5	S434 R436 P437	S434-M439 WeakPolarHBondContact CB-O 3.01Å; S434-M439 WeakPolarHBondContact OG-CB 3.25Å; R436-M439 HydrophobicContact CB-CB 4.25Å; R436-M439 HydrophobicContact CB-CG 4.29Å; R436-M439 HydrophobicContact CB-SD 3.78Å; R436-M439 WeakPolarHBondContact CD-SD 3.38Å; R436-M439 HydrophobicContact CG-SD 4.24Å; R436-M439 PolarHBondContact O-N 2.77Å; P437-M439 PolarHBondContact O-N 2.71Å
440	D	76.5	Confident	83.2	Confident	42 Å²	42	83 Å²	83	23%	0.225	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-66.4	149.5	178.3	-43	-88.3	0	0	0	112.3	R331 V415 H416	R331-D440 IonicContact CZ-OD1 3.09Å; R331-D440 IonicContact CZ-OD2 2.77Å; R331-D440 IonicContact NH1-OD1 3.13Å; R331-D440 PolarHBondContact NH1-OD1 3.25Å; R331-D440 IonicContact NH1-OD2 3.7Å; R331-D440 PolarHBondContact NH1-OD2 3.45Å; R331-D440 IonicContact NH2-OD2 3.42Å; R331-D440 PolarHBondContact NH2-OD2 3.1Å; V415-D440 HydrophobicContact CG1-CB 4.11Å; H416-D440 IonicContact CE1-OD1 2.66Å
441	G	77.2	Confident	83.6	Confident	25 Å²	25	78.2 Å²	78.2	26%	0.258	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-63.3	144.3	169.6	0	0	0	0	0	111.8	L432	L432-G441 CarbonylContact O-C 3.57Å; L432-G441 WeakPolarHBondContact O-CA 3.19Å
442	R	81.1	Confident	84	Confident	187 Å²	187	81.1 Å²	81.1	71%	0.706	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.1	-179.5	-68.4	-171.9	175.9	-164.1	-1.5	110.9	L432	L432-R442 WeakPolarHBondContact CB-O 3.14Å; L432-R442 PolarHBondContact N-O 3.34Å; L432-R442 PolarHBondContact O-N 2.88Å
443	R	86.8	Confident	84.6	Confident	49 Å²	49	78.3 Å²	78.3	19%	0.185	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	150.4	166.4	-66.7	-171.5	173.4	114.6	-7.2	109.7	L413 L417 P429 L431	L413-R443 HydrophobicContact CD1-CB 3.85Å; L417-R443 PolarHBondContact O-NH1 2.68Å; L417-R443 PolarHBondContact O-NH2 3.38Å; L417-R443 VanDerWaalsContact O-NH2 3.12Å; P429-R443 HydrophobicContact CB-CB 4.38Å; P429-R443 WeakPolarHBondContact O-CD 3.29Å; P429-R443 WeakPolarHBondContact O-CG 3.39Å; P429-R443 PolarHBondContact O-NE 3.21Å; L431-R443 HydrophobicContact CD2-CG 3.69Å; L431-R443 HydrophobicContact CG-CG 4.04Å
444	N	85.6	Confident	85.4	Confident	83 Å²	83	73.7 Å²	73.7	44%	0.444	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-61.7	126.5	165.6	-74.7	-2.1	0	0	0	109.1	L432 R446	L432-N444 VanDerWaalsContact CD1-OD1 3.29Å; L432-N444 WeakPolarHBondContact CD1-OD1 3.22Å; N444-R446 PolarHBondContact O-N 2.94Å
445	P	86.8	Confident	86.2	Confident	75 Å²	75	76 Å²	76	49%	0.487	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-66.6	131.8	175.7	26.7	-32.6	0	0	0	110.3	D411	D411-P445 HydrophobicContact CB-CB 4.28Å; D411-P445 WeakPolarHBondContact O-CB 3.47Å
446	R	89.7	Confident	86.9	Confident	138 Å²	138	70.4 Å²	70.4	52%	0.521	37%	0.366	S	S	.	.			trans	-168	155.1	172.4	48.1	174.4	-76.1	-143.3	0.9	110.6	P429 N444	P429-R446 HydrophobicContact CG-CG 3.81Å; N444-R446 PolarHBondContact O-N 2.94Å
447	P	93.4	Very high	87.6	Confident	21 Å²	21	63.5 Å²	63.5	14%	0.136	35%	0.345	C	S	.	.			trans	-57.4	143.3	168.1	-22.9	33.3	0	0	0	112.4	F308 I369 R371	F308-P447 HydrophobicContact CE2-CG 4.43Å; I369-P447 HydrophobicContact CG2-CB 3.43Å; I369-P447 VanDerWaalsContact CG2-CB 3.43Å; R371-P447 HydrophobicContact CG-CB 4.06Å; R371-P447 HydrophobicContact CG-CG 4.26Å
448	I	94.9	Very high	88.4	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.4	-177.9	-53	-58.2	0	0	0	109.5	M370 L413 I419 I426 L428 P429 I450	M370-I448 HydrophobicContact CB-CB 4.49Å; M370-I448 PolarHBondContact N-O 2.86Å; M370-I448 PolarHBondContact O-N 3.49Å; L413-I448 HydrophobicContact CD1-CD1 4.38Å; L413-I448 HydrophobicContact CD2-CD1 4.22Å; L413-I448 HydrophobicContact CD2-CG1 4.1Å; I419-I448 HydrophobicContact CD1-CG2 4.33Å; I426-I448 HydrophobicContact CG2-CG2 3.93Å; L428-I448 HydrophobicContact CD2-CD1 3.87Å; L428-I448 HydrophobicContact CD2-CG1 4.04Å; L428-I448 HydrophobicContact CD2-CG2 3.93Å; P429-I448 HydrophobicContact CG-CD1 4.29Å; I448-I450 HydrophobicContact CG2-CG2 4.14Å
449	N	94.4	Very high	89.5	Confident	55 Å²	55	60.6 Å²	60.6	29%	0.294	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.4	172.2	178.2	-8.6	0	0	0	109.6	Q367 I369 T451	Q367-N449 PolarHBondContact OE1-ND2 3.01Å; I369-N449 HydrophobicContact CD1-CB 3.77Å; N449-T451 VanDerWaalsContact OD1-CB 3.28Å; N449-T451 WeakPolarHBondContact OD1-CB 3.5Å; N449-T451 PolarHBondContact OD1-N 3.43Å; N449-T451 PolarHBondContact OD1-OG1 2.77Å
450	I	95.5	Very high	90.4	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	31%	0.307	C	S	.	.			trans	-114.5	-1.3	178.4	54.7	165.9	0	0	0	113.7	V368 M370 V421 I426 I448 Q452 S453 L454 I464 I482	V368-I450 HydrophobicContact CB-CG1 4.25Å; V368-I450 HydrophobicContact CG1-CD1 3.93Å; V368-I450 HydrophobicContact CG1-CG1 3.81Å; V368-I450 WeakPolarHBondContact O-CG1 3.3Å; V368-I450 PolarHBondContact O-N 2.72Å; M370-I450 HydrophobicContact CB-CD1 4.39Å; M370-I450 HydrophobicContact SD-CD1 4.42Å; V421-I450 HydrophobicContact CG2-CB 4.33Å; V421-I450 HydrophobicContact CG2-CG2 4.29Å; I426-I450 HydrophobicContact CD1-CB 4.48Å; I426-I450 HydrophobicContact CD1-CG2 4.16Å; I426-I450 HydrophobicContact CG1-CG2 4.09Å; I426-I450 HydrophobicContact CG2-CG2 4.38Å; I448-I450 HydrophobicContact CG2-CG2 4.14Å; I450-Q452 VanDerWaalsContact C-N 3.3Å; I450-Q452 PolarHBondContact O-N 2.9Å; I450-Q452 VanDerWaalsContact O-N 3.14Å; I450-S453 PolarHBondContact O-N 3.38Å; I450-L454 HydrophobicContact CD1-CD1 4.05Å; I450-L454 HydrophobicContact CG1-CD1 3.97Å; I450-I464 HydrophobicContact CD1-CD1 3.83Å; I450-I482 HydrophobicContact CD1-CG2 4.46Å
451	T	94.4	Very high	91.4	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-48.5	-45.3	-173	-39.1	0	0	0	0	113.6	I350 F364 Q367 V368 N449 S453 L454	I350-T451 HydrophobicContact CG2-CG2 4.47Å; F364-T451 HydrophobicContact CB-CG2 4.2Å; F364-T451 HydrophobicContact CD1-CG2 3.67Å; F364-T451 HydrophobicContact CD2-CG2 4.13Å; F364-T451 HydrophobicContact CE1-CG2 3.93Å; F364-T451 HydrophobicContact CE2-CG2 4.37Å; F364-T451 HydrophobicContact CG-CG2 3.76Å; F364-T451 HydrophobicContact CZ-CG2 4.26Å; Q367-T451 WeakPolarHBondContact CA-OG1 3.31Å; V368-T451 PolarHBondContact N-OG1 3.15Å; N449-T451 VanDerWaalsContact OD1-CB 3.28Å; N449-T451 WeakPolarHBondContact OD1-CB 3.5Å; N449-T451 PolarHBondContact OD1-N 3.43Å; N449-T451 PolarHBondContact OD1-OG1 2.77Å; T451-S453 PolarHBondContact O-N 2.82Å; T451-S453 VanDerWaalsContact O-N 3.13Å; T451-L454 PolarHBondContact O-N 3.35Å
452	Q	91.5	Very high	92.3	Very high	148 Å²	148	57.2 Å²	57.2	69%	0.692	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-67.5	-11.3	-175.6	-69.7	179.3	-18.1	0	0	114.9	F364 I450	F364-Q452 HydrophobicContact CD2-CG 4.37Å; F364-Q452 HydrophobicContact CE2-CG 4.02Å; I450-Q452 VanDerWaalsContact C-N 3.3Å; I450-Q452 PolarHBondContact O-N 2.9Å; I450-Q452 VanDerWaalsContact O-N 3.14Å
453	S	93.3	Very high	93.1	Very high	25 Å²	25	55 Å²	55	18%	0.175	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-107.5	-0.4	177.1	-61.4	0	0	0	0	113.7	V421 N422 I426 I450 T451	V421-S453 WeakPolarHBondContact CG1-O 3.47Å; N422-S453 PolarHBondContact ND2-O 2.85Å; I426-S453 WeakPolarHBondContact CD1-OG 3.41Å; I450-S453 PolarHBondContact O-N 3.38Å; T451-S453 PolarHBondContact O-N 2.82Å; T451-S453 VanDerWaalsContact O-N 3.13Å
454	L	95.3	Very high	93.6	Very high	15 Å²	15	52.7 Å²	52.7	8%	0.079	28%	0.275	C	S	.	.	S	Bend	trans	-93.9	141.3	-177	-65.6	167.2	0	0	0	111.7	F342 V368 V421 I450 T451 V456 N462	F342-L454 HydrophobicContact CE2-CB 4.44Å; F342-L454 HydrophobicContact CZ-CD1 4.1Å; V368-L454 HydrophobicContact CB-CD1 3.64Å; V368-L454 HydrophobicContact CG1-CD1 3.6Å; V368-L454 HydrophobicContact CG2-CD1 3.86Å; V421-L454 HydrophobicContact CG1-CD2 3.43Å; V421-L454 VanDerWaalsContact CG1-CD2 3.43Å; V421-L454 HydrophobicContact CG1-CG 4.02Å; I450-L454 HydrophobicContact CD1-CD1 4.05Å; I450-L454 HydrophobicContact CG1-CD1 3.97Å; T451-L454 PolarHBondContact O-N 3.35Å; L454-V456 PolarHBondContact O-N 2.84Å; L454-N462 VanDerWaalsContact CA-OD1 3.29Å; L454-N462 WeakPolarHBondContact CA-OD1 3.23Å; L454-N462 HydrophobicContact CD2-CB 3.61Å; L454-N462 WeakPolarHBondContact CD2-OD1 3.25Å
455	H	94.8	Very high	94.1	Very high	89 Å²	89	52 Å²	52	41%	0.412	27%	0.268	S	S	.	.			trans	-74.1	105	164.3	-56.1	146.4	0	0	0	108.2	F342 S457 V460 N462	F342-H455 WeakPolarHBondContact CE2-O 3.48Å; H455-S457 PolarHBondContact O-N 3.11Å; H455-V460 HydrophobicContact CB-CB 4.42Å; H455-V460 HydrophobicContact CB-CG1 4.09Å; H455-N462 PolarHBondContact N-OD1 2.83Å; H455-N462 PolarHBondContact O-ND2 2.89Å
456	V	92.5	Very high	94.5	Very high	46 Å²	46	48.5 Å²	48.5	28%	0.279	25%	0.245	S	C	.	.			trans	-80.6	73.8	177.9	-171.7	0	0	0	0	108.8	V347 I350 L454	V347-V456 HydrophobicContact CB-CG1 4.43Å; V347-V456 HydrophobicContact CG1-CG1 4.21Å; V347-V456 HydrophobicContact CG2-CG1 4.22Å; I350-V456 HydrophobicContact CB-CG1 3.96Å; I350-V456 HydrophobicContact CD1-CG1 4.27Å; I350-V456 HydrophobicContact CG2-CG1 3.76Å; I350-V456 HydrophobicContact CG2-CG2 4.09Å; L454-V456 PolarHBondContact O-N 2.84Å
457	S	93	Very high	94.8	Very high	30 Å²	30	43.3 Å²	43.3	21%	0.21	23%	0.229	C	C	.	.			trans	-147.7	143.5	-178.8	171.9	0	0	0	0	110.5	H455 T459	H455-S457 PolarHBondContact O-N 3.11Å; S457-T459 PolarHBondContact OG-N 2.77Å; S457-T459 PolarHBondContact OG-OG1 3.26Å
458	P	94	Very high	94.8	Very high	43 Å²	43	42.4 Å²	42.4	28%	0.279	22%	0.222	S	C	.	.	S	Bend	trans	-79	-19.6	175.5	33.1	-34.4	0	0	0	112.6	F342	F342-P458 WeakPolarHBondContact O-CA 3.22Å
459	T	94.1	Very high	94.5	Very high	109 Å²	109	43 Å²	43	67%	0.669	23%	0.226	S	C	*	.	S	Bend	trans	-83.9	-30.5	-177.8	58.4	0	0	0	0	112.8	S457	S457-T459 PolarHBondContact OG-N 2.77Å; S457-T459 PolarHBondContact OG-OG1 3.26Å
460	V	94.5	Very high	94.3	Very high	57 Å²	57	40.6 Å²	40.6	35%	0.345	21%	0.213	S	C	.	.	S	Bend	trans	-102.6	121.2	-172.7	-178.8	0	0	0	0	110.5	H455	H455-V460 HydrophobicContact CB-CB 4.42Å; H455-V460 HydrophobicContact CB-CG1 4.09Å
461	P	96.1	Very high	93.9	Very high	22 Å²	22	42.1 Å²	42.1	14%	0.143	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-70.2	150.9	171.8	30.8	-34	0	0	0	111.4	R341 Y463	R341-P461 HydrophobicContact CG-CB 3.99Å; P461-Y463 HydrophobicContact CB-CE2 4.42Å; P461-Y463 HydrophobicContact CG-CE2 3.9Å
462	N	97.7	Very high	93.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.7	171.3	-73.6	-83.7	0	0	0	109.7	A339 L340 F342 N422 L454 H455	A339-N462 WeakPolarHBondContact CA-O 3.2Å; L340-N462 HydrophobicContact CB-CB 4.25Å; L340-N462 PolarHBondContact N-O 3.4Å; L340-N462 WeakPolarHBondContact O-CB 3.35Å; L340-N462 PolarHBondContact O-N 2.66Å; F342-N462 WeakPolarHBondContact CE2-ND2 3.33Å; N422-N462 PolarHBondContact ND2-OD1 3.04Å; N422-N462 WeakPolarHBondContact OD1-CA 3.49Å; L454-N462 VanDerWaalsContact CA-OD1 3.29Å; L454-N462 WeakPolarHBondContact CA-OD1 3.23Å; L454-N462 HydrophobicContact CD2-CB 3.61Å; L454-N462 WeakPolarHBondContact CD2-OD1 3.25Å; H455-N462 PolarHBondContact N-OD1 2.83Å; H455-N462 PolarHBondContact O-ND2 2.89Å
463	Y	97.4	Very high	93.1	Very high	141 Å²	141	39.1 Å²	39.1	55%	0.553	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.5	178.6	-62.7	-73.3	0	0	0	110.3	A339 V421 N422 P461	A339-Y463 HydrophobicContact CB-CD1 4.25Å; A339-Y463 HydrophobicContact CB-CE1 4.21Å; V421-Y463 CarbonylContact C-O 3.49Å; V421-Y463 WeakPolarHBondContact CA-O 3.18Å; N422-Y463 PolarHBondContact N-O 3.43Å; N422-Y463 PolarHBondContact OD1-N 3.06Å; P461-Y463 HydrophobicContact CB-CE2 4.42Å; P461-Y463 HydrophobicContact CG-CE2 3.9Å
464	I	97.4	Very high	92.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	110.8	-178.4	-53.5	175.7	0	0	0	108.1	S337 L338 L340 M370 I419 Q420 V421 I450 L466 I482	S337-I464 CarbonylContact C-O 3.51Å; L338-I464 HydrophobicContact CB-CB 4.35Å; L338-I464 PolarHBondContact N-O 3.01Å; L338-I464 PolarHBondContact O-N 3.31Å; L340-I464 HydrophobicContact CB-CD1 4.5Å; L340-I464 HydrophobicContact CD2-CD1 4.38Å; M370-I464 HydrophobicContact CE-CG2 4.18Å; M370-I464 HydrophobicContact SD-CG2 4.45Å; I419-I464 HydrophobicContact CG2-CG2 4.01Å; Q420-I464 CarbonylContact O-C 3.6Å; Q420-I464 WeakPolarHBondContact O-CA 3.39Å; V421-I464 HydrophobicContact CG1-CG1 4.42Å; V421-I464 HydrophobicContact CG2-CG1 4.23Å; V421-I464 HydrophobicContact CG2-CG2 4.24Å; I450-I464 HydrophobicContact CD1-CD1 3.83Å; I464-L466 HydrophobicContact CG2-CD2 4.28Å; I464-I482 HydrophobicContact CD1-CD1 3.72Å
465	K	96	Very high	92.4	Very high	69 Å²	69	43.4 Å²	43.4	30%	0.3	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.3	171.8	-178.4	179.2	177.9	178.1	0	109.5	D335 Q420	D335-K465 VanDerWaalsContact OD1-CE 3.31Å; D335-K465 WeakPolarHBondContact OD1-CE 3.45Å; D335-K465 IonicContact OD1-NZ 2.79Å; D335-K465 WeakPolarHBondContact OD2-CE 3.29Å; D335-K465 IonicContact OD2-NZ 3.74Å; D335-K465 PolarHBondContact OD2-NZ 3.05Å; Q420-K465 HydrophobicContact CB-CB 4.33Å; Q420-K465 PolarHBondContact N-O 2.97Å; Q420-K465 PolarHBondContact O-N 3.26Å
466	L	95.9	Very high	92.2	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	133	172.1	-59.5	177.9	0	0	0	109.2	D335 R336 L338 M370 F372 I419 I464 W468	D335-L466 CarbonylContact C-O 3.51Å; D335-L466 VanDerWaalsContact CA-O 3.29Å; D335-L466 WeakPolarHBondContact CA-O 3.47Å; R336-L466 PolarHBondContact N-O 2.92Å; R336-L466 PolarHBondContact O-N 3.45Å; L338-L466 HydrophobicContact CD1-CD1 3.89Å; M370-L466 HydrophobicContact CE-CD1 3.94Å; M370-L466 HydrophobicContact CE-CD2 3.74Å; M370-L466 HydrophobicContact CE-CG 4.29Å; M370-L466 HydrophobicContact SD-CD2 4.43Å; F372-L466 HydrophobicContact CE1-CD1 4.22Å; F372-L466 HydrophobicContact CE1-CD2 4.39Å; F372-L466 HydrophobicContact CZ-CD2 3.97Å; I419-L466 HydrophobicContact CB-CD2 4.27Å; I419-L466 HydrophobicContact CD1-CD2 4.32Å; I419-L466 HydrophobicContact CG1-CD2 3.79Å; I419-L466 HydrophobicContact CG2-CD2 3.99Å; I464-L466 HydrophobicContact CG2-CD2 4.28Å; L466-W468 HydrophobicContact CB-CE3 4.46Å
467	T	94.5	Very high	92.2	Very high	29 Å²	29	37.9 Å²	37.9	18%	0.178	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.3	167.4	-53.9	0	0	0	0	108.1	Y334 D335 L417 I418	Y334-T467 CarbonylContact O-C 3.53Å; Y334-T467 VanDerWaalsContact O-CA 3.29Å; Y334-T467 WeakPolarHBondContact O-CA 3.42Å; D335-T467 VanDerWaalsContact OD1-CB 3.24Å; D335-T467 WeakPolarHBondContact OD1-CB 3.4Å; D335-T467 VanDerWaalsContact OD1-CG2 3.27Å; D335-T467 WeakPolarHBondContact OD1-CG2 3.41Å; D335-T467 PolarHBondContact OD1-OG1 3.25Å; L417-T467 CarbonylContact C-O 3.57Å; L417-T467 VanDerWaalsContact CA-O 3.29Å; L417-T467 WeakPolarHBondContact CA-O 3.29Å; I418-T467 PolarHBondContact N-O 3.43Å; I418-T467 PolarHBondContact O-N 3.05Å
468	W	93.4	Very high	92.2	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	158.4	176.1	74.4	105.3	0	0	0	111.5	I320 P322 S333 Y334 R336 P414 L417 L466 H470	I320-W468 HydrophobicContact CB-CZ2 4.31Å; I320-W468 HydrophobicContact CG2-CD2 4.23Å; I320-W468 HydrophobicContact CG2-CE3 4.08Å; I320-W468 HydrophobicContact CG2-CH2 3.44Å; I320-W468 VanDerWaalsContact CG2-CH2 3.44Å; I320-W468 HydrophobicContact CG2-CZ2 3.53Å; I320-W468 HydrophobicContact CG2-CZ3 3.71Å; P322-W468 HydrophobicContact CG-CZ2 4.34Å; S333-W468 CarbonylContact C-O 3.55Å; S333-W468 WeakPolarHBondContact CA-O 3.39Å; Y334-W468 PolarHBondContact N-O 2.91Å; Y334-W468 VanDerWaalsContact O-CE3 3.22Å; Y334-W468 WeakPolarHBondContact O-CZ3 3.43Å; Y334-W468 PolarHBondContact O-N 3.37Å; R336-W468 HydrophobicContact CB-CH2 3.99Å; R336-W468 HydrophobicContact CB-CZ3 3.7Å; P414-W468 HydrophobicContact CB-CB 3.79Å; P414-W468 HydrophobicContact CB-CG 4.22Å; L417-W468 HydrophobicContact CD1-CB 4.35Å; L466-W468 HydrophobicContact CB-CE3 4.46Å; W468-H470 AromaticContact NE1-CD2 3.94Å
469	T	89.9	Confident	92.2	Very high	18 Å²	18	35.1 Å²	35.1	11%	0.11	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.4	168.7	-57.6	0	0	0	0	110.2	R331 R332 S333 V415 H416	R331-T469 HydrophobicContact CB-CG2 3.96Å; R332-T469 CarbonylContact O-C 3.48Å; R332-T469 WeakPolarHBondContact O-CA 3.22Å; S333-T469 PolarHBondContact OG-OG1 3.19Å; V415-T469 PolarHBondContact O-N 3.3Å; H416-T469 PolarHBondContact ND1-OG1 3.34Å
470	H	89	Confident	92.3	Very high	6 Å²	6	30 Å²	30	3%	0.028	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	153	171	-163.6	-94.9	0	0	0	110.5	R331 R332 Y334 W468 Y472 T476 Y477	R331-H470 WeakPolarHBondContact CA-O 3.41Å; R332-H470 PolarHBondContact N-O 2.73Å; R332-H470 PolarHBondContact O-N 2.92Å; Y334-H470 HydrophobicContact CD2-CB 3.66Å; Y334-H470 HydrophobicContact CE2-CB 3.77Å; W468-H470 AromaticContact NE1-CD2 3.94Å; H470-Y472 AromaticContact CE1-CD1 3.48Å; H470-Y472 VanDerWaalsContact CE1-CD1 3.48Å; H470-Y472 WeakPolarHBondContact CE1-CD1 3.23Å; H470-Y472 AromaticContact CE1-CE1 3.6Å; H470-Y472 AromaticContact ND1-CD1 3.7Å; H470-Y472 AromaticContact ND1-CE1 3.76Å; H470-Y472 AromaticContact ND1-CG 3.88Å; H470-Y472 AromaticContact ND1-CZ 3.99Å; H470-T476 PolarHBondContact NE2-O 2.8Å; H470-Y477 AromaticContact CE1-CE1 3.82Å; H470-Y477 AromaticContact NE2-CD1 3.59Å; H470-Y477 AromaticContact NE2-CE1 3.85Å
471	D	86.5	Confident	92.4	Very high	33 Å²	33	27.2 Å²	27.2	18%	0.176	14%	0.139	C	C	.	.			trans	-142.2	105.8	174.6	-170.1	-17.8	0	0	0	109.6	R331 S473 S474	R331-D471 HydrophobicContact CG-CB 3.97Å; R331-D471 VanDerWaalsContact CG-OD2 3.24Å; R331-D471 WeakPolarHBondContact CG-OD2 3.42Å; R331-D471 IonicContact NE-OD2 3.91Å; D471-S473 VanDerWaalsContact CG-OG 3.24Å; D471-S473 PolarHBondContact O-N 3.2Å; D471-S473 WeakPolarHBondContact OD1-CB 3.47Å; D471-S473 PolarHBondContact OD1-N 3.05Å; D471-S473 PolarHBondContact OD1-OG 3.4Å; D471-S473 PolarHBondContact OD2-OG 3.38Å; D471-S474 PolarHBondContact O-N 3.31Å; D471-S474 PolarHBondContact O-OG 3.44Å
472	Y	84.8	Confident	92.4	Very high	12 Å²	12	26.3 Å²	26.3	5%	0.047	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-64.9	-20.7	-178.3	-70	-71.8	0	0	0	113.4	P322 F327 H470 S474 Y475 Y477	P322-Y472 WeakPolarHBondContact CD-OH 3.3Å; P322-Y472 WeakPolarHBondContact CG-OH 3.47Å; F327-Y472 AromaticContact CD1-CD1 3.65Å; F327-Y472 HydrophobicContact CD1-CD1 3.65Å; F327-Y472 AromaticContact CD1-CE1 3.54Å; F327-Y472 HydrophobicContact CD1-CE1 3.54Å; F327-Y472 HydrophobicContact CD1-CG 4.21Å; F327-Y472 HydrophobicContact CE1-CD1 4.19Å; F327-Y472 AromaticContact CE1-CE1 3.82Å; F327-Y472 HydrophobicContact CE1-CE1 3.82Å; H470-Y472 AromaticContact CE1-CD1 3.48Å; H470-Y472 VanDerWaalsContact CE1-CD1 3.48Å; H470-Y472 WeakPolarHBondContact CE1-CD1 3.23Å; H470-Y472 AromaticContact CE1-CE1 3.6Å; H470-Y472 AromaticContact ND1-CD1 3.7Å; H470-Y472 AromaticContact ND1-CE1 3.76Å; H470-Y472 AromaticContact ND1-CG 3.88Å; H470-Y472 AromaticContact ND1-CZ 3.99Å; Y472-S474 PolarHBondContact O-N 2.93Å; Y472-Y475 PolarHBondContact O-N 2.64Å; Y472-Y475 VanDerWaalsContact O-N 3.16Å; Y472-Y477 HydrophobicContact CD1-CE1 4.41Å; Y472-Y477 HydrophobicContact CE1-CE1 4.15Å
473	S	84.9	Confident	92.4	Very high	75 Å²	75	27 Å²	27	52%	0.524	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-67.4	-17.2	177.7	69	0	0	0	0	113.6	D471	D471-S473 VanDerWaalsContact CG-OG 3.24Å; D471-S473 PolarHBondContact O-N 3.2Å; D471-S473 WeakPolarHBondContact OD1-CB 3.47Å; D471-S473 PolarHBondContact OD1-N 3.05Å; D471-S473 PolarHBondContact OD1-OG 3.4Å; D471-S473 PolarHBondContact OD2-OG 3.38Å
474	S	85.8	Confident	92.4	Very high	46 Å²	46	20.4 Å²	20.4	32%	0.322	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-84	-14.5	176.2	71.6	0	0	0	0	114.1	D471 Y472 T476	D471-S474 PolarHBondContact O-N 3.31Å; D471-S474 PolarHBondContact O-OG 3.44Å; Y472-S474 PolarHBondContact O-N 2.93Å; S474-T476 VanDerWaalsContact O-CG2 3.22Å; S474-T476 WeakPolarHBondContact O-CG2 3.46Å; S474-T476 PolarHBondContact O-N 3.21Å; S474-T476 PolarHBondContact OG-N 3.03Å; S474-T476 PolarHBondContact OG-OG1 2.67Å
475	Y	88.4	Confident	92.3	Very high	83 Å²	83	20.9 Å²	20.9	33%	0.325	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	22.1	-167.2	-52.5	-72.3	0	0	0	114.5	A285 G286 V287 Y472	A285-Y475 HydrophobicContact CB-CD1 4.3Å; A285-Y475 HydrophobicContact CB-CE1 4.37Å; G286-Y475 VanDerWaalsContact C-CD1 3.48Å; G286-Y475 WeakPolarHBondContact O-CE1 3.39Å; V287-Y475 HydrophobicContact CG2-CD2 4.01Å; V287-Y475 HydrophobicContact CG2-CE2 4.36Å; Y472-Y475 PolarHBondContact O-N 2.64Å; Y472-Y475 VanDerWaalsContact O-N 3.16Å
476	T	90.4	Very high	92.2	Very high	19 Å²	19	21.8 Å²	21.8	12%	0.117	11%	0.114	C	C	.	.			trans	-105.1	125.1	-178.2	67.7	0	0	0	0	111.4	L375 D376 H470 S474	L375-T476 CarbonylContact O-C 3.52Å; L375-T476 VanDerWaalsContact O-CA 3.25Å; L375-T476 WeakPolarHBondContact O-CA 3.37Å; L375-T476 WeakPolarHBondContact O-CB 3.08Å; D376-T476 HydrophobicContact CB-CG2 4.08Å; H470-T476 PolarHBondContact NE2-O 2.8Å; S474-T476 VanDerWaalsContact O-CG2 3.22Å; S474-T476 WeakPolarHBondContact O-CG2 3.46Å; S474-T476 PolarHBondContact O-N 3.21Å; S474-T476 PolarHBondContact OG-N 3.03Å; S474-T476 PolarHBondContact OG-OG1 2.67Å
477	Y	92.1	Very high	92	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	165.1	-177.4	-69.4	-76.7	0	0	0	110.9	L284 A285 F291 I319 L321 R374 L375 H470 Y472	L284-Y477 HydrophobicContact CB-CE2 3.99Å; L284-Y477 HydrophobicContact CD1-CD2 4.49Å; L284-Y477 HydrophobicContact CD2-CD1 4.23Å; L284-Y477 HydrophobicContact CD2-CE1 3.83Å; L284-Y477 HydrophobicContact CD2-CE2 4.29Å; L284-Y477 HydrophobicContact CG-CE2 4.5Å; A285-Y477 PolarHBondContact N-OH 3.26Å; A285-Y477 WeakPolarHBondContact O-CE2 3.36Å; A285-Y477 PolarHBondContact O-OH 3.21Å; F291-Y477 HydrophobicContact CZ-CD2 4.49Å; F291-Y477 HydrophobicContact CZ-CE2 4.21Å; I319-Y477 HydrophobicContact CG2-CD1 4.47Å; L321-Y477 HydrophobicContact CD2-CD1 3.85Å; L321-Y477 HydrophobicContact CD2-CE1 3.73Å; R374-Y477 WeakPolarHBondContact CA-O 3.26Å; L375-Y477 PolarHBondContact N-O 3.26Å; L375-Y477 PolarHBondContact O-N 3.17Å; H470-Y477 AromaticContact CE1-CE1 3.82Å; H470-Y477 AromaticContact NE2-CD1 3.59Å; H470-Y477 AromaticContact NE2-CE1 3.85Å; Y472-Y477 HydrophobicContact CD1-CE1 4.41Å; Y472-Y477 HydrophobicContact CE1-CE1 4.15Å
478	N	93.2	Very high	91.8	Very high	16 Å²	16	29.2 Å²	29.2	9%	0.086	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.6	178.1	-63.4	-99	0	0	0	109.1	I320 A373 P414	I320-N478 HydrophobicContact CD1-CB 4.09Å; I320-N478 HydrophobicContact CG1-CB 4.48Å; I320-N478 PolarHBondContact N-O 2.91Å; A373-N478 CarbonylContact O-C 3.58Å; A373-N478 WeakPolarHBondContact O-CA 3.45Å; P414-N478 HydrophobicContact CG-CB 4.02Å; P414-N478 WeakPolarHBondContact CG-OD1 3.35Å
479	V	94.7	Very high	91.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.4	178.8	169.6	0	0	0	0	108.9	L297 F300 F302 P317 Q318 I319 F372 A373 L375	L297-V479 HydrophobicContact CD1-CG2 3.82Å; F300-V479 HydrophobicContact CD1-CG1 4.39Å; F300-V479 HydrophobicContact CE1-CG1 3.91Å; F300-V479 HydrophobicContact CZ-CG1 4.36Å; F302-V479 HydrophobicContact CZ-CG1 4.34Å; P317-V479 HydrophobicContact CB-CG1 3.84Å; Q318-V479 CarbonylContact O-C 3.57Å; Q318-V479 VanDerWaalsContact O-CA 3.31Å; Q318-V479 WeakPolarHBondContact O-CA 3.5Å; I319-V479 HydrophobicContact CG1-CG2 4.01Å; F372-V479 CarbonylContact C-O 3.53Å; F372-V479 VanDerWaalsContact CA-O 3.24Å; F372-V479 WeakPolarHBondContact CA-O 3.46Å; A373-V479 HydrophobicContact CB-CB 4.4Å; A373-V479 PolarHBondContact N-O 2.97Å; A373-V479 PolarHBondContact O-N 3.06Å; L375-V479 HydrophobicContact CD1-CG2 3.67Å; L375-V479 HydrophobicContact CD2-CG2 4.28Å; L375-V479 HydrophobicContact CG-CG2 3.78Å
480	V	96.2	Very high	92	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.9	174.5	64.1	0	0	0	0	110.9	P317 Q318 I320 M370 R371 F372	P317-V480 WeakPolarHBondContact CA-O 3.18Å; Q318-V480 HydrophobicContact CG-CG1 3.72Å; Q318-V480 PolarHBondContact N-O 3.09Å; Q318-V480 PolarHBondContact O-N 3.26Å; I320-V480 HydrophobicContact CD1-CB 3.91Å; I320-V480 HydrophobicContact CD1-CG1 4.25Å; I320-V480 HydrophobicContact CG1-CB 3.94Å; I320-V480 HydrophobicContact CG1-CG1 3.79Å; M370-V480 HydrophobicContact CE-CG2 3.42Å; M370-V480 VanDerWaalsContact CE-CG2 3.42Å; M370-V480 HydrophobicContact CG-CG2 4.19Å; R371-V480 WeakPolarHBondContact O-CA 3.37Å; F372-V480 HydrophobicContact CD1-CB 4.18Å; F372-V480 HydrophobicContact CD1-CG2 4.16Å; F372-V480 HydrophobicContact CE1-CB 4.14Å; F372-V480 HydrophobicContact CE1-CG2 3.8Å; F372-V480 HydrophobicContact CZ-CG2 4.13Å
481	G	95.9	Very high	92.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.5	166.9	0	0	0	0	0	111	L315 M370 R371	L315-G481 WeakPolarHBondContact O-CA 3.04Å; M370-G481 WeakPolarHBondContact CA-O 3.35Å; R371-G481 PolarHBondContact N-O 3.4Å; R371-G481 PolarHBondContact O-N 3.48Å
482	I	97.4	Very high	92.6	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.5	175.8	-52.1	173.7	0	0	0	108.6	L314 L315 L340 V368 I369 M370 I450 I464	L314-I482 HydrophobicContact CB-CB 4.36Å; L314-I482 HydrophobicContact CB-CG2 4.14Å; L314-I482 HydrophobicContact CD1-CG2 4.24Å; L314-I482 PolarHBondContact N-O 3Å; L315-I482 HydrophobicContact CB-CB 3.75Å; L315-I482 HydrophobicContact CB-CD1 4.13Å; L315-I482 HydrophobicContact CB-CG1 3.92Å; L315-I482 HydrophobicContact CD2-CD1 3.77Å; L315-I482 HydrophobicContact CD2-CG1 3.9Å; L315-I482 PolarHBondContact N-O 3.24Å; L315-I482 PolarHBondContact O-N 3.28Å; L340-I482 HydrophobicContact CD2-CG2 4.49Å; V368-I482 HydrophobicContact CG1-CG2 3.57Å; I369-I482 WeakPolarHBondContact O-CA 3.42Å; M370-I482 HydrophobicContact CB-CG1 4.49Å; M370-I482 HydrophobicContact CE-CD1 4.06Å; M370-I482 HydrophobicContact CE-CG1 4.19Å; M370-I482 HydrophobicContact CG-CG1 4.06Å; M370-I482 HydrophobicContact SD-CG1 4.5Å; I450-I482 HydrophobicContact CD1-CG2 4.46Å; I464-I482 HydrophobicContact CD1-CD1 3.72Å
483	Y	97.1	Very high	93.2	Very high	15 Å²	15	38 Å²	38	6%	0.059	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.8	-169.1	-58.5	-82.1	0	0	0	111.4	F302 L310 D312 V313 P317 V368 I369 R371 M485	F302-Y483 HydrophobicContact CD2-CE2 4.16Å; F302-Y483 WeakPolarHBondContact CD2-OH 3.42Å; F302-Y483 HydrophobicContact CE2-CE2 4.18Å; F302-Y483 WeakPolarHBondContact CE2-OH 3.37Å; L310-Y483 HydrophobicContact CD1-CD1 3.73Å; L310-Y483 HydrophobicContact CD1-CG 4.29Å; D312-Y483 WeakPolarHBondContact O-CA 3.37Å; V313-Y483 HydrophobicContact CB-CD1 4.41Å; V313-Y483 HydrophobicContact CB-CE1 4.47Å; V313-Y483 HydrophobicContact CG1-CD1 4.23Å; V313-Y483 HydrophobicContact CG1-CE1 3.93Å; V313-Y483 HydrophobicContact CG2-CD1 4.04Å; V313-Y483 HydrophobicContact CG2-CE1 4.03Å; P317-Y483 WeakPolarHBondContact CG-OH 3.32Å; V368-Y483 WeakPolarHBondContact CA-O 3.41Å; I369-Y483 PolarHBondContact N-O 2.69Å; I369-Y483 PolarHBondContact O-N 2.95Å; R371-Y483 HydrophobicContact CB-CE2 4.18Å; R371-Y483 HydrophobicContact CG-CD2 4.16Å; R371-Y483 HydrophobicContact CG-CE2 4.2Å; Y483-M485 HydrophobicContact CD1-CE 4.38Å; Y483-M485 HydrophobicContact CD2-CE 4.14Å; Y483-M485 HydrophobicContact CG-CE 3.81Å
484	L	96.9	Very high	93.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120	164	-165.6	64.2	0	0	0	107.8	I311 D312 L314 Q346 T349 I350 V366 V368	I311-L484 HydrophobicContact CB-CB 4.39Å; I311-L484 HydrophobicContact CB-CD2 4.44Å; I311-L484 HydrophobicContact CB-CG 4.31Å; I311-L484 WeakPolarHBondContact CB-O 3.48Å; I311-L484 HydrophobicContact CG2-CD2 4Å; I311-L484 HydrophobicContact CG2-CG 4.41Å; I311-L484 PolarHBondContact N-O 3.21Å; D312-L484 HydrophobicContact CB-CB 3.94Å; D312-L484 HydrophobicContact CB-CD2 4.28Å; D312-L484 PolarHBondContact N-O 2.86Å; D312-L484 PolarHBondContact O-N 3.23Å; L314-L484 HydrophobicContact CD1-CB 4.08Å; L314-L484 HydrophobicContact CD1-CD1 4.44Å; L314-L484 HydrophobicContact CD2-CB 4.49Å; L314-L484 HydrophobicContact CG-CB 4.18Å; Q346-L484 HydrophobicContact CB-CD2 4.5Å; Q346-L484 HydrophobicContact CG-CD2 4.32Å; T349-L484 HydrophobicContact CG2-CD2 4.24Å; I350-L484 HydrophobicContact CD1-CD1 3.89Å; I350-L484 HydrophobicContact CG1-CD1 3.65Å; V366-L484 HydrophobicContact CG1-CD1 3.47Å; V366-L484 VanDerWaalsContact CG1-CD1 3.47Å; V366-L484 HydrophobicContact CG1-CD2 4.28Å; V366-L484 HydrophobicContact CG1-CG 3.62Å; V368-L484 HydrophobicContact CG2-CD1 4.14Å
485	M	95.5	Very high	94.1	Very high	12 Å²	12	34.4 Å²	34.4	6%	0.059	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.9	-172.4	-65.9	179.8	159.3	0	0	111.9	F308 K309 L310 V366 Q367 I369 Y483	F308-M485 HydrophobicContact CB-CB 4.39Å; F308-M485 HydrophobicContact CB-SD 3.88Å; F308-M485 HydrophobicContact CD1-CB 4.14Å; F308-M485 HydrophobicContact CD1-SD 4.15Å; F308-M485 HydrophobicContact CG-SD 4.14Å; K309-M485 CarbonylContact O-C 3.53Å; K309-M485 WeakPolarHBondContact O-CA 3.48Å; L310-M485 HydrophobicContact CD1-CE 4.18Å; L310-M485 HydrophobicContact CD1-CG 4.31Å; V366-M485 WeakPolarHBondContact CA-O 3.46Å; Q367-M485 PolarHBondContact N-O 3.25Å; Q367-M485 PolarHBondContact O-N 3.41Å; I369-M485 HydrophobicContact CB-CG 4.44Å; I369-M485 HydrophobicContact CB-SD 3.84Å; I369-M485 HydrophobicContact CG1-CB 4.02Å; I369-M485 HydrophobicContact CG1-CG 4.33Å; I369-M485 HydrophobicContact CG1-SD 4Å; I369-M485 HydrophobicContact CG2-SD 3.95Å; Y483-M485 HydrophobicContact CD1-CE 4.38Å; Y483-M485 HydrophobicContact CD2-CE 4.14Å; Y483-M485 HydrophobicContact CG-CE 3.81Å
486	R	94.3	Very high	94.4	Very high	87 Å²	87	32.9 Å²	32.9	33%	0.328	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.8	167.1	-176.3	167.5	170.7	-178.9	-6.5	108.9	K309 I311 G365 V366	K309-R486 PolarHBondContact N-O 2.77Å; K309-R486 PolarHBondContact O-N 3.3Å; I311-R486 HydrophobicContact CD1-CB 4.05Å; G365-R486 WeakPolarHBondContact O-CA 3.23Å; V366-R486 HydrophobicContact CG2-CB 4.11Å; V366-R486 HydrophobicContact CG2-CG 4.45Å
487	R	90.9	Very high	94.7	Very high	113 Å²	113	32.1 Å²	32.1	43%	0.426	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	140.4	173.3	-174.5	177	173.9	-144.3	0.8	109.2	F307 F308 G365 E591	F307-R487 CarbonylContact O-C 3.55Å; F307-R487 WeakPolarHBondContact O-CA 3.34Å; F308-R487 HydrophobicContact CD1-CB 4.5Å; F308-R487 HydrophobicContact CE1-CB 4.36Å; F308-R487 HydrophobicContact CE1-CG 4.34Å; G365-R487 PolarHBondContact O-N 2.72Å; R487-E591 IonicContact CZ-OE1 3.54Å; R487-E591 IonicContact NE-OE1 3.5Å; R487-E591 PolarHBondContact NE-OE1 3.43Å; R487-E591 IonicContact NH2-OE1 3.38Å; R487-E591 PolarHBondContact NH2-OE1 3.48Å; R487-E591 IonicContact NH2-OE2 2.66Å
488	R	91.3	Very high	94.7	Very high	74 Å²	74	35.4 Å²	35.4	28%	0.279	17%	0.171	S	C	.	.			trans	-106.3	138.2	170.1	-74.4	171.4	163.8	168.1	-10.4	109.7	P306 F307 L493	P306-R488 VanDerWaalsContact O-CD 3.31Å; P306-R488 WeakPolarHBondContact O-CD 3.13Å; F307-R488 PolarHBondContact O-N 2.88Å; R488-L493 HydrophobicContact CB-CD2 4.23Å; R488-L493 HydrophobicContact CB-CG 4.16Å
489	S	91.8	Very high	94.8	Very high	36 Å²	36	39 Å²	39	25%	0.252	20%	0.197	S	C	.	.			trans	-79.2	160	170.5	71.1	0	0	0	0	111.5	Q491 Q492 L493	S489-Q491 PolarHBondContact O-N 3.05Å; S489-Q491 PolarHBondContact OG-OE1 3.24Å; S489-Q492 PolarHBondContact O-N 2.84Å; S489-Q492 VanDerWaalsContact O-N 3.14Å; S489-Q492 WeakPolarHBondContact OG-CG 3.37Å; S489-Q492 PolarHBondContact OG-N 3.22Å; S489-Q492 VanDerWaalsContact OG-N 3.16Å; S489-L493 PolarHBondContact O-N 3.41Å
490	P	95.1	Very high	94.7	Very high	10 Å²	10	44.2 Å²	44.2	7%	0.065	23%	0.23	C	C	.	.	H	α-helix	trans	-50.3	-41.5	169.3	-29.8	37.4	0	0	0	113	Q492 L493 C494 T584 L587 I588	P490-Q492 PolarHBondContact O-N 2.76Å; P490-L493 CarbonylContact O-C 3.56Å; P490-L493 WeakPolarHBondContact O-CA 3.24Å; P490-L493 WeakPolarHBondContact O-CB 3.45Å; P490-L493 PolarHBondContact O-N 3.2Å; P490-L493 VanDerWaalsContact O-N 3.11Å; P490-C494 PolarHBondContact O-N 2.89Å; P490-C494 PolarHBondContact O-SG 3.02Å; P490-T584 HydrophobicContact CB-CG2 4.48Å; P490-L587 HydrophobicContact CB-CB 3.96Å; P490-I588 HydrophobicContact CB-CG1 4.12Å; P490-I588 HydrophobicContact CG-CG1 3.74Å
491	Q	94.3	Very high	94.6	Very high	113 Å²	113	44.8 Å²	44.8	53%	0.528	23%	0.234	S	C	.	.	H	α-helix	trans	-65.9	-39.6	179.2	-62.7	76.2	13	0	0	112.5	S489 L493 C494 G495	S489-Q491 PolarHBondContact O-N 3.05Å; S489-Q491 PolarHBondContact OG-OE1 3.24Å; Q491-L493 VanDerWaalsContact C-N 3.26Å; Q491-L493 PolarHBondContact O-N 3.41Å; Q491-C494 PolarHBondContact O-N 2.63Å; Q491-G495 PolarHBondContact O-N 3.24Å
492	Q	94.4	Very high	94.6	Very high	95 Å²	95	49.5 Å²	49.5	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-65.5	-32.2	173.2	-72.8	169.2	-11.5	0	0	111.8	S489 P490 L496	S489-Q492 PolarHBondContact O-N 2.84Å; S489-Q492 VanDerWaalsContact O-N 3.14Å; S489-Q492 WeakPolarHBondContact OG-CG 3.37Å; S489-Q492 PolarHBondContact OG-N 3.22Å; S489-Q492 VanDerWaalsContact OG-N 3.16Å; P490-Q492 PolarHBondContact O-N 2.76Å; Q492-L496 WeakPolarHBondContact O-CD1 3.19Å; Q492-L496 VanDerWaalsContact O-CG 3.29Å; Q492-L496 WeakPolarHBondContact O-CG 3.17Å; Q492-L496 PolarHBondContact O-N 2.89Å; Q492-L496 VanDerWaalsContact O-N 3.11Å
493	L	96.2	Very high	94.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-73	-35.6	173.5	-69.8	174.8	0	0	0	112.5	P306 F307 R488 S489 P490 Q491 L496 L497 L587 Y607	P306-L493 HydrophobicContact CB-CD1 4.24Å; P306-L493 HydrophobicContact CB-CD2 4Å; P306-L493 WeakPolarHBondContact O-CD2 3.31Å; F307-L493 HydrophobicContact CD1-CD1 3.46Å; F307-L493 VanDerWaalsContact CD1-CD1 3.46Å; F307-L493 HydrophobicContact CE1-CD1 3.56Å; F307-L493 HydrophobicContact CG-CD1 4.2Å; F307-L493 HydrophobicContact CZ-CD1 4.37Å; R488-L493 HydrophobicContact CB-CD2 4.23Å; R488-L493 HydrophobicContact CB-CG 4.16Å; S489-L493 PolarHBondContact O-N 3.41Å; P490-L493 CarbonylContact O-C 3.56Å; P490-L493 WeakPolarHBondContact O-CA 3.24Å; P490-L493 WeakPolarHBondContact O-CB 3.45Å; P490-L493 PolarHBondContact O-N 3.2Å; P490-L493 VanDerWaalsContact O-N 3.11Å; Q491-L493 VanDerWaalsContact C-N 3.26Å; Q491-L493 PolarHBondContact O-N 3.41Å; L493-L496 HydrophobicContact CD2-CD1 4.25Å; L493-L496 PolarHBondContact O-N 3.02Å; L493-L497 WeakPolarHBondContact O-CG 3.4Å; L493-L497 PolarHBondContact O-N 2.81Å; L493-L587 HydrophobicContact CB-CD1 3.77Å; L493-L587 HydrophobicContact CB-CD2 4.44Å; L493-L587 HydrophobicContact CD1-CD2 4.18Å; L493-Y607 HydrophobicContact CB-CE2 3.91Å; L493-Y607 HydrophobicContact CD2-CE1 4.21Å; L493-Y607 HydrophobicContact CD2-CE2 4.08Å; L493-Y607 WeakPolarHBondContact CD2-OH 3.36Å; L493-Y607 HydrophobicContact CG-CE2 4.43Å; L493-Y607 PolarHBondContact O-OH 3.04Å
494	C	96.1	Very high	94.5	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.041	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-47.9	170.2	-63	0	0	0	0	111.2	P490 Q491 L496 L497 H498 V568 T584	P490-C494 PolarHBondContact O-N 2.89Å; P490-C494 PolarHBondContact O-SG 3.02Å; Q491-C494 PolarHBondContact O-N 2.63Å; C494-L496 VanDerWaalsContact C-N 3.27Å; C494-L496 PolarHBondContact O-N 3.3Å; C494-L497 WeakPolarHBondContact O-CB 3.48Å; C494-L497 PolarHBondContact O-N 2.97Å; C494-H498 PolarHBondContact O-CD2 3.06Å; C494-H498 PolarHBondContact O-N 3.15Å; C494-V568 HydrophobicContact CB-CG2 4.36Å; C494-T584 PolarHBondContact SG-OG1 2.91Å; C494-T584 VanDerWaalsContact SG-OG1 3.38Å
495	G	94.5	Very high	94.4	Very high	40 Å²	40	54.4 Å²	54.4	41%	0.412	28%	0.282	S	S	.	.	H	α-helix	trans	-60.8	-33	175.6	0	0	0	0	0	113.8	Q491 S499	Q491-G495 PolarHBondContact O-N 3.24Å; G495-S499 PolarHBondContact O-N 2.96Å; G495-S499 PolarHBondContact O-OG 2.93Å
496	L	94.9	Very high	94.4	Very high	50 Å²	50	58.9 Å²	58.9	26%	0.262	31%	0.306	S	S	.	.	H	α-helix	trans	-72	-34.9	171.8	-74.6	165.1	0	0	0	112.9	Q492 L493 C494 S499 T500 Y607	Q492-L496 WeakPolarHBondContact O-CD1 3.19Å; Q492-L496 VanDerWaalsContact O-CG 3.29Å; Q492-L496 WeakPolarHBondContact O-CG 3.17Å; Q492-L496 PolarHBondContact O-N 2.89Å; Q492-L496 VanDerWaalsContact O-N 3.11Å; L493-L496 HydrophobicContact CD2-CD1 4.25Å; L493-L496 PolarHBondContact O-N 3.02Å; C494-L496 VanDerWaalsContact C-N 3.27Å; C494-L496 PolarHBondContact O-N 3.3Å; L496-S499 WeakPolarHBondContact CA-OG 3.49Å; L496-S499 PolarHBondContact O-N 3.47Å; L496-S499 PolarHBondContact O-OG 2.98Å; L496-T500 WeakPolarHBondContact O-CB 3.34Å; L496-T500 WeakPolarHBondContact O-CG2 3.28Å; L496-T500 PolarHBondContact O-N 2.96Å; L496-T500 PolarHBondContact O-OG1 2.8Å; L496-Y607 WeakPolarHBondContact CB-OH 3.49Å
497	L	96	Very high	94.4	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-44.4	172.3	-71.5	173.3	0	0	0	111	L493 C494 S499 T500 S501 V570 Y607 L610 V612	L493-L497 WeakPolarHBondContact O-CG 3.4Å; L493-L497 PolarHBondContact O-N 2.81Å; C494-L497 WeakPolarHBondContact O-CB 3.48Å; C494-L497 PolarHBondContact O-N 2.97Å; L497-S499 PolarHBondContact O-N 2.89Å; L497-T500 PolarHBondContact O-N 3.46Å; L497-S501 VanDerWaalsContact C-OG 3.31Å; L497-S501 WeakPolarHBondContact CA-OG 3.5Å; L497-S501 WeakPolarHBondContact CD2-OG 3.46Å; L497-S501 WeakPolarHBondContact O-CA 3.41Å; L497-S501 PolarHBondContact O-N 2.89Å; L497-S501 PolarHBondContact O-OG 2.9Å; L497-V570 HydrophobicContact CD1-CG1 4.39Å; L497-Y607 HydrophobicContact CD1-CD2 4.37Å; L497-Y607 HydrophobicContact CD1-CE2 3.76Å; L497-Y607 HydrophobicContact CD2-CD2 4.18Å; L497-Y607 HydrophobicContact CD2-CE1 4.44Å; L497-Y607 HydrophobicContact CD2-CE2 3.64Å; L497-Y607 HydrophobicContact CG-CD2 4.45Å; L497-Y607 HydrophobicContact CG-CE2 3.58Å; L497-L610 HydrophobicContact CD1-CB 4.31Å; L497-L610 HydrophobicContact CD1-CD1 3.88Å; L497-L610 HydrophobicContact CD2-CB 3.92Å; L497-V612 HydrophobicContact CB-CG2 3.84Å
498	H	93	Very high	94.6	Very high	69 Å²	69	53 Å²	53	32%	0.319	29%	0.292	S	S	.	.	H	α-helix	trans	-57.6	-35.2	175	-80.4	-78.2	0	0	0	113	C494 V568	C494-H498 PolarHBondContact O-CD2 3.06Å; C494-H498 PolarHBondContact O-N 3.15Å; H498-V568 WeakPolarHBondContact NE2-CG1 3.34Å
499	S	93.5	Very high	94.7	Very high	91 Å²	91	52.5 Å²	52.5	64%	0.636	29%	0.291	S	S	*	.	H	α-helix	trans	-91.3	-14.9	-177.6	47.4	0	0	0	0	114.9	G495 L496 L497	G495-S499 PolarHBondContact O-N 2.96Å; G495-S499 PolarHBondContact O-OG 2.93Å; L496-S499 WeakPolarHBondContact CA-OG 3.49Å; L496-S499 PolarHBondContact O-N 3.47Å; L496-S499 PolarHBondContact O-OG 2.98Å; L497-S499 PolarHBondContact O-N 2.89Å
500	T	93.8	Very high	94.8	Very high	110 Å²	110	56.8 Å²	56.8	68%	0.675	31%	0.309	S	S	*	.	H	α-helix	trans	-121	-16	-177.7	63.1	0	0	0	0	115.4	L496 L497	L496-T500 WeakPolarHBondContact O-CB 3.34Å; L496-T500 WeakPolarHBondContact O-CG2 3.28Å; L496-T500 PolarHBondContact O-N 2.96Å; L496-T500 PolarHBondContact O-OG1 2.8Å; L497-T500 PolarHBondContact O-N 3.46Å
501	S	94.4	Very high	94.7	Very high	13 Å²	13	58.8 Å²	58.8	9%	0.091	32%	0.318	C	S	.	.	S	Bend	trans	-139.8	16.6	-167.2	72.5	0	0	0	0	114.7	L497 Q503 L610 I611 V612	L497-S501 VanDerWaalsContact C-OG 3.31Å; L497-S501 WeakPolarHBondContact CA-OG 3.5Å; L497-S501 WeakPolarHBondContact CD2-OG 3.46Å; L497-S501 WeakPolarHBondContact O-CA 3.41Å; L497-S501 PolarHBondContact O-N 2.89Å; L497-S501 PolarHBondContact O-OG 2.9Å; S501-Q503 PolarHBondContact O-N 2.99Å; S501-L610 WeakPolarHBondContact CB-O 3.42Å; S501-I611 VanDerWaalsContact O-CA 3.31Å; S501-I611 WeakPolarHBondContact O-CA 3.41Å; S501-V612 PolarHBondContact O-N 3.27Å
502	F	96.1	Very high	94.7	Very high	98 Å²	98	53.4 Å²	53.4	43%	0.43	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	128.3	177.5	-177.6	-102.9	0	0	0	112	V612 L617	F502-V612 HydrophobicContact CD2-CB 4.18Å; F502-V612 HydrophobicContact CD2-CG1 4.06Å; F502-L617 HydrophobicContact CE2-CD2 3.99Å
503	Q	96.2	Very high	94.7	Very high	38 Å²	38	51.8 Å²	51.8	18%	0.178	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.2	173.8	176.2	164.8	102.3	0	0	109.6	S501 V507 R571 I611 V612 G614	S501-Q503 PolarHBondContact O-N 2.99Å; Q503-V507 HydrophobicContact CG-CB 3.73Å; Q503-V507 HydrophobicContact CG-CG1 4.05Å; Q503-V507 HydrophobicContact CG-CG2 4.16Å; Q503-R571 VanDerWaalsContact OE1-NH2 3.15Å; Q503-I611 HydrophobicContact CB-CD1 4.36Å; Q503-V612 PolarHBondContact N-O 2.88Å; Q503-G614 VanDerWaalsContact O-CA 3.26Å; Q503-G614 WeakPolarHBondContact O-CA 3.47Å; Q503-G614 PolarHBondContact O-N 3.19Å
504	N	95	Very high	94.4	Very high	79 Å²	79	59.6 Å²	59.6	42%	0.422	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-60.6	140.9	176.6	179.6	-89.2	0	0	0	111.7	N506 V507	N504-N506 PolarHBondContact O-N 3.48Å; N504-N506 VanDerWaalsContact O-N 3.08Å; N504-N506 WeakPolarHBondContact OD1-CB 3.38Å; N504-N506 PolarHBondContact OD1-N 3.37Å; N504-N506 VanDerWaalsContact OD1-N 3.15Å; N504-N506 PolarHBondContact OD1-ND2 2.8Å; N504-V507 WeakPolarHBondContact O-CB 3.47Å; N504-V507 PolarHBondContact O-N 2.84Å
505	A	95.8	Very high	94.1	Very high	6 Å²	6	63.2 Å²	63.2	5%	0.05	34%	0.335	C	S	.	.	H	α-helix	trans	-53.9	-32.4	-173.3	0	0	0	0	0	114.8	V507 M508 K509 L615 E618	A505-V507 PolarHBondContact O-N 2.85Å; A505-M508 PolarHBondContact O-N 3.13Å; A505-K509 WeakPolarHBondContact O-CB 3.32Å; A505-K509 PolarHBondContact O-N 2.93Å; A505-L615 HydrophobicContact CB-CB 3.81Å; A505-L615 HydrophobicContact CB-CD1 4.19Å; A505-E618 VanDerWaalsContact CB-CD 3.49Å; A505-E618 VanDerWaalsContact CB-OE1 3.23Å; A505-E618 WeakPolarHBondContact CB-OE1 3.27Å; A505-E618 WeakPolarHBondContact CB-OE2 3.24Å
506	N	95.2	Very high	93.9	Very high	106 Å²	106	62.2 Å²	62.2	57%	0.567	32%	0.32	S	S	*	.	H	α-helix	trans	-58.1	-30.4	177.3	-68.9	-66.2	0	0	0	113	N504 M510	N504-N506 PolarHBondContact O-N 3.48Å; N504-N506 VanDerWaalsContact O-N 3.08Å; N504-N506 WeakPolarHBondContact OD1-CB 3.38Å; N504-N506 PolarHBondContact OD1-N 3.37Å; N504-N506 VanDerWaalsContact OD1-N 3.15Å; N504-N506 PolarHBondContact OD1-ND2 2.8Å; N506-M510 WeakPolarHBondContact O-CB 3.37Å; N506-M510 WeakPolarHBondContact O-CG 3.38Å; N506-M510 PolarHBondContact O-N 2.93Å
507	V	94.4	Very high	93.4	Very high	76 Å²	76	62 Å²	62	46%	0.461	32%	0.322	S	S	.	.	H	α-helix	trans	-69.4	-48.8	180	-176	0	0	0	0	110.9	Q503 N504 A505 K509 M510 E511	Q503-V507 HydrophobicContact CG-CB 3.73Å; Q503-V507 HydrophobicContact CG-CG1 4.05Å; Q503-V507 HydrophobicContact CG-CG2 4.16Å; N504-V507 WeakPolarHBondContact O-CB 3.47Å; N504-V507 PolarHBondContact O-N 2.84Å; A505-V507 PolarHBondContact O-N 2.85Å; V507-K509 VanDerWaalsContact C-N 3.34Å; V507-M510 PolarHBondContact O-N 2.85Å; V507-E511 PolarHBondContact O-N 2.81Å
508	M	94.1	Very high	92.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-66.7	-37.9	176.4	178.8	80.4	-71.1	0	0	110.8	A505 M510 E511 I512 R571 V578 D613 L615	A505-M508 PolarHBondContact O-N 3.13Å; M508-M510 PolarHBondContact O-N 2.85Å; M508-E511 HydrophobicContact CE-CB 3.63Å; M508-E511 HydrophobicContact CE-CG 3.82Å; M508-E511 VanDerWaalsContact CE-OE2 3.3Å; M508-E511 WeakPolarHBondContact CE-OE2 3.36Å; M508-E511 PolarHBondContact O-N 3.2Å; M508-I512 HydrophobicContact CE-CG1 4.23Å; M508-I512 HydrophobicContact CG-CD1 3.95Å; M508-I512 WeakPolarHBondContact O-CG1 3.38Å; M508-I512 PolarHBondContact O-N 3.21Å; M508-R571 VanDerWaalsContact CE-NH2 3.31Å; M508-R571 PolarHBondContact SD-NH2 2.9Å; M508-V578 HydrophobicContact CE-CG1 4.41Å; M508-V578 HydrophobicContact CE-CG2 3.98Å; M508-V578 HydrophobicContact SD-CB 4.44Å; M508-V578 HydrophobicContact SD-CG1 3.91Å; M508-V578 HydrophobicContact SD-CG2 4.49Å; M508-D613 WeakPolarHBondContact CG-OD2 3.43Å; M508-L615 HydrophobicContact CB-CB 3.97Å; M508-L615 HydrophobicContact CB-CD2 4.11Å; M508-L615 HydrophobicContact CG-CB 4.08Å; M508-L615 HydrophobicContact CG-CD2 3.79Å
509	K	95	Very high	90.5	Very high	63 Å²	63	68.9 Å²	68.9	27%	0.274	37%	0.366	S	S	.	.	H	α-helix	trans	-59	-47.7	174.3	-179.1	167.6	171.4	138	0	111.9	A505 V507 E511 I512 M513 L615 D636 G637	A505-K509 WeakPolarHBondContact O-CB 3.32Å; A505-K509 PolarHBondContact O-N 2.93Å; V507-K509 VanDerWaalsContact C-N 3.34Å; K509-E511 VanDerWaalsContact C-N 3.32Å; K509-E511 PolarHBondContact O-N 3.22Å; K509-I512 PolarHBondContact O-N 3.04Å; K509-M513 HydrophobicContact CD-SD 4.47Å; K509-M513 HydrophobicContact CG-CG 4.37Å; K509-M513 HydrophobicContact CG-SD 3.92Å; K509-M513 VanDerWaalsContact O-CG 3.3Å; K509-M513 WeakPolarHBondContact O-CG 3.4Å; K509-M513 PolarHBondContact O-N 3.41Å; K509-L615 HydrophobicContact CB-CD2 4.18Å; K509-D636 WeakPolarHBondContact CE-O 3.16Å; K509-D636 PolarHBondContact NZ-O 3.37Å; K509-G637 WeakPolarHBondContact CD-O 3.45Å; K509-G637 WeakPolarHBondContact CE-O 3.43Å; K509-G637 VanDerWaalsContact NZ-C 3.29Å; K509-G637 PolarHBondContact NZ-O 3.41Å
510	M	93.8	Very high	88.8	Confident	126 Å²	126	67.7 Å²	67.7	62%	0.621	36%	0.362	S	S	*	.	H	α-helix	trans	-66	-32.6	177.1	-70.1	-65.4	-72.4	0	0	112.8	N506 V507 M508 M513 K514	N506-M510 WeakPolarHBondContact O-CB 3.37Å; N506-M510 WeakPolarHBondContact O-CG 3.38Å; N506-M510 PolarHBondContact O-N 2.93Å; V507-M510 PolarHBondContact O-N 2.85Å; M508-M510 PolarHBondContact O-N 2.85Å; M510-M513 HydrophobicContact SD-SD 4.09Å; M510-K514 VanDerWaalsContact O-CB 3.3Å; M510-K514 WeakPolarHBondContact O-CB 3.04Å; M510-K514 PolarHBondContact O-N 2.88Å
511	E	92.7	Very high	86.8	Confident	52 Å²	52	68.8 Å²	68.8	24%	0.243	37%	0.369	C	S	.	.	H	α-helix	trans	-67.4	-37.5	172.7	-171.1	-171.5	143.4	0	0	112	V507 M508 K509 K515 R571	V507-E511 PolarHBondContact O-N 2.81Å; M508-E511 HydrophobicContact CE-CB 3.63Å; M508-E511 HydrophobicContact CE-CG 3.82Å; M508-E511 VanDerWaalsContact CE-OE2 3.3Å; M508-E511 WeakPolarHBondContact CE-OE2 3.36Å; M508-E511 PolarHBondContact O-N 3.2Å; K509-E511 VanDerWaalsContact C-N 3.32Å; K509-E511 PolarHBondContact O-N 3.22Å; E511-K515 VanDerWaalsContact O-CG 3.31Å; E511-K515 WeakPolarHBondContact O-CG 3.37Å; E511-K515 PolarHBondContact O-N 2.87Å; E511-K515 VanDerWaalsContact O-N 3.15Å; E511-K515 WeakPolarHBondContact OE1-CE 3.25Å; E511-K515 IonicContact OE1-NZ 3.53Å; E511-K515 PolarHBondContact OE1-NZ 3.02Å; E511-R571 IonicContact OE1-NH1 3.61Å; E511-R571 PolarHBondContact OE1-NH1 3.24Å; E511-R571 VanDerWaalsContact OE1-NH1 3.09Å; E511-R571 IonicContact OE2-CZ 3.68Å; E511-R571 IonicContact OE2-NH1 3.99Å; E511-R571 PolarHBondContact OE2-NH1 3.43Å; E511-R571 VanDerWaalsContact OE2-NH1 3.13Å; E511-R571 IonicContact OE2-NH2 2.69Å; E511-R571 PolarHBondContact OE2-NH2 2.84Å
512	I	94	Very high	84.6	Confident	0 Å²	0	74 Å²	74	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-67.3	-52.2	173.9	-70.8	160.9	0	0	0	110.9	M508 K509 K514 K515 L516 V578 L615 F633	M508-I512 HydrophobicContact CE-CG1 4.23Å; M508-I512 HydrophobicContact CG-CD1 3.95Å; M508-I512 WeakPolarHBondContact O-CG1 3.38Å; M508-I512 PolarHBondContact O-N 3.21Å; K509-I512 PolarHBondContact O-N 3.04Å; I512-K514 PolarHBondContact O-N 3.43Å; I512-K515 PolarHBondContact O-N 3.28Å; I512-L516 HydrophobicContact CG2-CD1 3.94Å; I512-L516 PolarHBondContact O-N 3.49Å; I512-V578 HydrophobicContact CD1-CG1 3.92Å; I512-V578 HydrophobicContact CG1-CG1 4.1Å; I512-V578 HydrophobicContact CG1-CG2 3.91Å; I512-L615 HydrophobicContact CD1-CD2 3.66Å; I512-F633 HydrophobicContact CD1-CD1 3.82Å; I512-F633 HydrophobicContact CD1-CD2 4.14Å; I512-F633 HydrophobicContact CD1-CE1 3.74Å; I512-F633 HydrophobicContact CD1-CE2 4.07Å; I512-F633 HydrophobicContact CD1-CG 4.01Å; I512-F633 HydrophobicContact CD1-CZ 3.87Å; I512-F633 HydrophobicContact CG2-CB 3.89Å; I512-F633 HydrophobicContact CG2-CD1 4.44Å; I512-F633 HydrophobicContact CG2-CG 4.25Å
513	M	93.4	Very high	81.9	Confident	62 Å²	62	72.6 Å²	72.6	31%	0.305	41%	0.413	S	S	.	.	H	α-helix	trans	-55.8	-38.3	177.3	-68.5	172.8	76.2	0	0	111.6	K509 M510 S517	K509-M513 HydrophobicContact CD-SD 4.47Å; K509-M513 HydrophobicContact CG-CG 4.37Å; K509-M513 HydrophobicContact CG-SD 3.92Å; K509-M513 VanDerWaalsContact O-CG 3.3Å; K509-M513 WeakPolarHBondContact O-CG 3.4Å; K509-M513 PolarHBondContact O-N 3.41Å; M510-M513 HydrophobicContact SD-SD 4.09Å; M513-S517 WeakPolarHBondContact O-CB 3.36Å; M513-S517 PolarHBondContact O-N 2.94Å
514	K	91	Very high	79.3	Confident	163 Å²	163	78.4 Å²	78.4	71%	0.709	45%	0.446	S	S	*	.	H	α-helix	trans	-64.9	-42.9	174.1	-177	172.9	-180	174.2	0	112.6	M510 I512 S517	M510-K514 VanDerWaalsContact O-CB 3.3Å; M510-K514 WeakPolarHBondContact O-CB 3.04Å; M510-K514 PolarHBondContact O-N 2.88Å; I512-K514 PolarHBondContact O-N 3.43Å; K514-S517 PolarHBondContact O-N 2.88Å; K514-S517 PolarHBondContact O-OG 2.9Å
515	K	89.9	Confident	76.8	Confident	83 Å²	83	83.1 Å²	83.1	36%	0.361	47%	0.469	S	S	.	.	H	α-helix	trans	-68.5	-32.6	179.1	-74	171	-171.9	174.4	0	113.3	E511 I512 R576 V578	E511-K515 VanDerWaalsContact O-CG 3.31Å; E511-K515 WeakPolarHBondContact O-CG 3.37Å; E511-K515 PolarHBondContact O-N 2.87Å; E511-K515 VanDerWaalsContact O-N 3.15Å; E511-K515 WeakPolarHBondContact OE1-CE 3.25Å; E511-K515 IonicContact OE1-NZ 3.53Å; E511-K515 PolarHBondContact OE1-NZ 3.02Å; I512-K515 PolarHBondContact O-N 3.28Å; K515-R576 PolarHBondContact NZ-O 3.12Å; K515-V578 HydrophobicContact CD-CG2 4.26Å
516	L	90.2	Very high	74	Confident	19 Å²	19	86.6 Å²	86.6	10%	0.099	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	8.5	179.8	-64.4	-179.9	0	0	0	113.4	I512 L553 S635	I512-L516 HydrophobicContact CG2-CD1 3.94Å; I512-L516 PolarHBondContact O-N 3.49Å; L516-L553 HydrophobicContact CD1-CB 3.99Å; L516-L553 HydrophobicContact CD2-CB 4.16Å; L516-L553 HydrophobicContact CG-CB 4.42Å; L516-S635 WeakPolarHBondContact O-CB 3.21Å
517	S	83.6	Confident	71.3	Confident	45 Å²	45	86.9 Å²	86.9	32%	0.315	52%	0.515	S	S	.	.			trans	-74.4	129.7	177	66.2	0	0	0	0	110.7	M513 K514 N519 A520	M513-S517 WeakPolarHBondContact O-CB 3.36Å; M513-S517 PolarHBondContact O-N 2.94Å; K514-S517 PolarHBondContact O-N 2.88Å; K514-S517 PolarHBondContact O-OG 2.9Å; S517-N519 PolarHBondContact O-N 3.42Å; S517-A520 WeakPolarHBondContact O-CB 3.19Å; S517-A520 PolarHBondContact O-N 2.93Å
518	P	69.3	Low	68.7	Low	85 Å²	85	89.1 Å²	89.1	55%	0.552	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-64.5	-17.1	-172.4	24	-34.4	0	0	0	114.1	A520	P518-A520 VanDerWaalsContact C-N 3.33Å
519	N	60	Low	66.1	Low	132 Å²	132	96.4 Å²	96.4	71%	0.706	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-83.6	-3.3	178	-67.7	1.3	0	0	0	113.7	S517 T521	S517-N519 PolarHBondContact O-N 3.42Å; N519-T521 PolarHBondContact O-N 3.48Å
520	A	56.2	Low	63.5	Low	66 Å²	66	97.7 Å²	97.7	55%	0.545	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-63.5	-29	-178.9	0	0	0	0	0	113.2	S517 P518	S517-A520 WeakPolarHBondContact O-CB 3.19Å; S517-A520 PolarHBondContact O-N 2.93Å; P518-A520 VanDerWaalsContact C-N 3.33Å
521	T	52	Low	61.1	Low	133 Å²	133	100.4 Å²	100.4	82%	0.816	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-78.4	-26.4	-173.9	-44.5	0	0	0	0	113.5	N519	N519-T521 PolarHBondContact O-N 3.48Å
522	T	48.8	Very low	58.8	Low	122 Å²	122	102.3 Å²	102.3	75%	0.748	62%	0.615	S	S	*	*	S	Bend	trans	-105	-1.9	-166.4	-23.2	0	0	0	0	114.2
523	G	39.2	Very low	56.4	Low	68 Å²	68	110.9 Å²	110.9	70%	0.701	66%	0.655	S	S	*	*	S	Bend	trans	-91.1	4.4	-161.5	0	0	0	0	0	118.4
524	N	41.3	Very low	53.7	Low	161 Å²	161	112.9 Å²	112.9	86%	0.861	68%	0.675	S	S	*	*	S	Bend	trans	-133.1	36.2	-164.9	-154.5	63.9	0	0	0	116.2
525	I	42.1	Very low	51.2	Low	178 Å²	178	110.6 Å²	110.6	91%	0.913	68%	0.68	S	S	*	*			trans	-131	107	164.8	-58.1	178.8	0	0	0	107.4
526	G	37.2	Very low	48.9	Very low	78 Å²	78	111.2 Å²	111.2	80%	0.804	70%	0.7	S	S	*	*			trans	-169.7	21.9	-166.1	0	0	0	0	0	119.7
527	S	40	Very low	46.5	Very low	113 Å²	113	116.3 Å²	116.3	79%	0.79	74%	0.736	S	S	*	*			trans	-171.1	92.2	159.8	-160	0	0	0	0	108.5
528	V	39.4	Very low	44.4	Very low	122 Å²	122	120 Å²	120	74%	0.739	75%	0.752	S	S	*	*				68.2	101.8	72	-176.6	0	0	0	0	112.8
529	N	38.5	Very low	43	Very low	153 Å²	153	123 Å²	123	82%	0.818	76%	0.759	S	S	*	*			trans	137.2	120.1	165.3	-76.8	-22.4	0	0	0	109
530	S	40.6	Very low	42.2	Very low	90 Å²	90	123.3 Å²	123.3	63%	0.629	76%	0.76	S	S	*	*			cis	-151.7	164.7	4.7	-64.4	0	0	0	0	111.2
531	Q	44.5	Very low	41.8	Very low	184 Å²	184	127.1 Å²	127.1	86%	0.86	77%	0.772	S	S	*	*			trans	29.9	131.1	136.9	-63.8	164.3	6.5	0	0	118.5
532	S	44	Very low	41.8	Very low	92 Å²	92	128.9 Å²	128.9	64%	0.643	78%	0.776	S	S	*	*			cis	-174.4	156.4	18.4	50.5	0	0	0	0	113.4
533	Q	42.4	Very low	41.9	Very low	180 Å²	180	131 Å²	131	84%	0.841	78%	0.783	S	S	*	*			trans	66.7	154.1	154.7	-67.9	165.9	22.8	0	0	119.3
534	S	37.2	Very low	43	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	79%	0.791	S	S	*	*				174.4	97.1	-54.1	48.1	0	0	0	0	110.8
535	S	39.7	Very low	43.9	Very low	115 Å²	115	135.3 Å²	135.3	80%	0.804	79%	0.79	S	S	*	*			trans	-178.4	109.8	162.7	50.6	0	0	0	0	108
536	A	39.9	Very low	44.9	Very low	96 Å²	96	134.1 Å²	134.1	79%	0.793	79%	0.785	S	S	*	*			cis	79.8	81.3	38.1	0	0	0	0	0	114.3
537	C	41.2	Very low	46	Very low	126 Å²	126	137.9 Å²	137.9	85%	0.851	79%	0.786	S	S	*	*			trans	-149.4	140	151.8	49.8	0	0	0	0	107.2
538	N	38.8	Very low	47.1	Very low	121 Å²	121	138.8 Å²	138.8	65%	0.647	79%	0.787	S	S	*	*			trans	-110	171	-157.4	-60.1	12.3	0	0	0	114
539	E	39.9	Very low	48.2	Very low	149 Å²	149	139.5 Å²	139.5	70%	0.696	78%	0.783	S	S	*	*			trans	52.1	112.8	143.5	-68.2	146.7	-129	0	0	116.4
540	N	42.3	Very low	49.7	Very low	138 Å²	138	135.9 Å²	135.9	74%	0.738	77%	0.769	S	S	*	*				-170.3	164.4	61.6	-74.3	-77.3	0	0	0	111.6
541	D	48.5	Very low	51.9	Low	147 Å²	147	135.8 Å²	135.8	79%	0.786	76%	0.761	S	S	*	*			trans	38	112.4	151.6	-49.2	-20.1	0	0	0	121.5
542	D	51.9	Low	54.1	Low	169 Å²	169	128.3 Å²	128.3	90%	0.904	73%	0.728	S	S	*	*			trans	-157	146.4	138.5	-106.3	-34.3	0	0	0	108.5	D544	D542-D544 PolarHBondContact O-N 3.05Å
543	D	52.4	Low	56.4	Low	168 Å²	168	126.3 Å²	126.3	90%	0.898	71%	0.71	S	S	*	*			trans	-83	102.1	-171.1	-69.7	-63.1	0	0	0	113.4	D545	D543-D545 PolarHBondContact O-N 3Å
544	D	61	Low	58.9	Low	163 Å²	163	121.1 Å²	121.1	87%	0.872	69%	0.692	S	S	*	*			trans	-83	99	160.6	-89.8	-42.8	0	0	0	109.8	D542 D546	D542-D544 PolarHBondContact O-N 3.05Å; D544-D546 PolarHBondContact O-N 3Å
545	D	60	Low	61.6	Low	156 Å²	156	116.4 Å²	116.4	83%	0.834	66%	0.659	S	S	*	*			trans	-64.4	94.2	168.5	-115.8	-26.7	0	0	0	108.7	D543 L547	D543-D545 PolarHBondContact O-N 3Å; D545-L547 VanDerWaalsContact C-N 3.31Å; D545-L547 PolarHBondContact O-N 3.29Å
546	D	62.8	Low	64.4	Low	152 Å²	152	115 Å²	115	81%	0.813	64%	0.639	S	S	*	*			trans	-66.6	86.3	-174.9	-152.3	4.7	0	0	0	110	D544 V548	D544-D546 PolarHBondContact O-N 3Å; D546-V548 VanDerWaalsContact C-N 3.32Å; D546-V548 WeakPolarHBondContact O-CG2 3.36Å; D546-V548 PolarHBondContact O-N 3.06Å
547	L	62	Low	67.1	Low	158 Å²	158	110.4 Å²	110.4	83%	0.827	60%	0.601	S	S	*	*			trans	-65.3	87.6	-174.2	-90.6	166.9	0	0	0	110.6	D545 M549	D545-L547 VanDerWaalsContact C-N 3.31Å; D545-L547 PolarHBondContact O-N 3.29Å; L547-M549 VanDerWaalsContact C-N 3.29Å; L547-M549 PolarHBondContact O-N 3.47Å
548	V	62.5	Low	69.8	Low	132 Å²	132	106 Å²	106	80%	0.8	57%	0.569	S	S	*	*			trans	-60.7	90.2	174.4	-175.5	0	0	0	0	109.5	D546	D546-V548 VanDerWaalsContact C-N 3.32Å; D546-V548 WeakPolarHBondContact O-CG2 3.36Å; D546-V548 PolarHBondContact O-N 3.06Å
549	M	62.7	Low	72.6	Confident	136 Å²	136	100.3 Å²	100.3	67%	0.67	54%	0.539	S	S	*	.			trans	-53.4	126	165.9	-94	-62.5	-52.2	0	0	108.3	L547	L547-M549 VanDerWaalsContact C-N 3.29Å; L547-M549 PolarHBondContact O-N 3.47Å
550	P	70	Confident	75.4	Confident	78 Å²	78	94.8 Å²	94.8	51%	0.506	52%	0.516	S	S	.	.			trans	-58.7	144.7	173.5	25.2	-34.1	0	0	0	109.6	T552	P550-T552 HydrophobicContact CB-CG2 4.21Å; P550-T552 PolarHBondContact O-N 3.42Å
551	N	85.9	Confident	78	Confident	87 Å²	87	91.2 Å²	91.2	47%	0.465	50%	0.496	S	S	.	.	S	Bend	trans	-75.1	54.2	179.4	-72.3	-33.7	0	0	0	111.4	S635	N551-S635 PolarHBondContact O-N 3.16Å
552	T	90.8	Very high	80.2	Confident	28 Å²	28	86.2 Å²	86.2	17%	0.172	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156.9	-172.4	70	0	0	0	0	110.7	P550 I632 F633 H634	P550-T552 HydrophobicContact CB-CG2 4.21Å; P550-T552 PolarHBondContact O-N 3.42Å; T552-I632 HydrophobicContact CG2-CG2 4.18Å; T552-F633 CarbonylContact C-O 3.37Å; T552-F633 WeakPolarHBondContact CA-O 3.5Å; T552-F633 WeakPolarHBondContact CB-O 3.3Å; T552-H634 VanDerWaalsContact CG2-ND1 3.3Å; T552-H634 WeakPolarHBondContact CG2-ND1 3.41Å
553	L	92.8	Very high	82.4	Confident	50 Å²	50	85 Å²	85	26%	0.262	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	104.8	-176.6	-177.7	65.5	0	0	0	110.8	L516 V555 V578 F633	L516-L553 HydrophobicContact CD1-CB 3.99Å; L516-L553 HydrophobicContact CD2-CB 4.16Å; L516-L553 HydrophobicContact CG-CB 4.42Å; L553-V555 HydrophobicContact CD2-CG2 4.17Å; L553-V555 HydrophobicContact CG-CG2 3.89Å; L553-V578 HydrophobicContact CD2-CB 3.96Å; L553-V578 HydrophobicContact CD2-CG1 4.42Å; L553-V578 HydrophobicContact CD2-CG2 3.57Å; L553-F633 HydrophobicContact CB-CB 4.32Å; L553-F633 PolarHBondContact N-O 3.35Å; L553-F633 PolarHBondContact O-N 2.8Å
554	P	93.9	Very high	84.5	Confident	71 Å²	71	80.8 Å²	80.8	46%	0.461	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	137	171	26.8	-32.7	0	0	0	111.5	E630 I631	P554-E630 WeakPolarHBondContact CB-OE1 3.46Å; P554-I631 CarbonylContact C-O 3.45Å; P554-I631 WeakPolarHBondContact CA-O 3.34Å
555	V	95.8	Very high	86.2	Confident	5 Å²	5	76.1 Å²	76.1	3%	0.03	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	132.9	-174.9	-179.2	0	0	0	0	111.1	L553 V578 F616 E630 I631 F633	L553-V555 HydrophobicContact CD2-CG2 4.17Å; L553-V555 HydrophobicContact CG-CG2 3.89Å; V555-V578 HydrophobicContact CG2-CB 4.42Å; V555-V578 HydrophobicContact CG2-CG1 4.11Å; V555-F616 HydrophobicContact CG1-CE1 4.34Å; V555-F616 HydrophobicContact CG1-CE2 3.84Å; V555-F616 HydrophobicContact CG1-CZ 3.34Å; V555-E630 WeakPolarHBondContact O-CG 3.38Å; V555-I631 PolarHBondContact N-O 3.17Å; V555-I631 PolarHBondContact O-N 3.34Å; V555-F633 HydrophobicContact CB-CD2 4.18Å; V555-F633 HydrophobicContact CB-CE2 4Å; V555-F633 HydrophobicContact CG1-CE2 4.33Å; V555-F633 HydrophobicContact CG2-CD2 3.69Å; V555-F633 HydrophobicContact CG2-CE2 3.84Å
556	Q	96.8	Very high	88	Confident	84 Å²	84	69 Å²	69	39%	0.393	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.5	-176.7	-63.4	-172.1	-22.4	0	0	112.6	L558 Q579 E630	Q556-L558 VanDerWaalsContact C-N 3.33Å; Q556-Q579 PolarHBondContact O-NE2 3.19Å; Q556-Q579 PolarHBondContact O-OE1 3.24Å; Q556-E630 HydrophobicContact CG-CB 4.43Å; Q556-E630 HydrophobicContact CG-CG 4.21Å; Q556-E630 WeakPolarHBondContact CG-OE2 3.43Å; Q556-E630 PolarHBondContact NE2-OE2 2.84Å
557	L	97.4	Very high	89.6	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.005	37%	0.368	C	S	.	.	S	Bend	trans	-85.1	-10.8	169	-57.9	-175	0	0	0	112.1	I566 F616 I619 L620 L628 E629 I631	L557-I566 WeakPolarHBondContact O-CG1 3.39Å; L557-I566 PolarHBondContact O-N 2.95Å; L557-F616 HydrophobicContact CD2-CD1 4.43Å; L557-F616 HydrophobicContact CD2-CE1 4.21Å; L557-I619 HydrophobicContact CD1-CG2 4.34Å; L557-I619 HydrophobicContact CD2-CG2 3.86Å; L557-L620 HydrophobicContact CB-CD2 3.96Å; L557-L620 HydrophobicContact CD2-CD2 4.1Å; L557-L620 HydrophobicContact CD2-CG 4.48Å; L557-L620 HydrophobicContact CG-CD2 4.42Å; L557-L628 HydrophobicContact CD1-CB 4.21Å; L557-E629 PolarHBondContact N-O 3.26Å; L557-I631 HydrophobicContact CD1-CG2 4.04Å; L557-I631 HydrophobicContact CD2-CD1 4.42Å; L557-I631 HydrophobicContact CD2-CG1 4.17Å; L557-I631 HydrophobicContact CG-CG1 4.49Å; L557-I631 HydrophobicContact CG-CG2 4.42Å
558	L	97.5	Very high	91.2	Very high	33 Å²	33	61.9 Å²	61.9	17%	0.173	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-78.6	141.4	168	-58.8	-174.7	0	0	0	111.7	Q556 R565 E629	Q556-L558 VanDerWaalsContact C-N 3.33Å; L558-R565 HydrophobicContact CD2-CB 4.4Å; L558-E629 HydrophobicContact CD1-CB 4.05Å; L558-E629 HydrophobicContact CD1-CG 4.11Å; L558-E629 HydrophobicContact CD2-CB 4.47Å; L558-E629 HydrophobicContact CD2-CG 4.28Å; L558-E629 HydrophobicContact CG-CB 4Å; L558-E629 HydrophobicContact CG-CG 4.25Å
559	C	98.2	Very high	92.9	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.007	30%	0.295	C	S	.	.			trans	-74	126.9	177.4	176.3	0	0	0	0	110.5	L561 S562 K563 C564 I566 D582	C559-L561 PolarHBondContact O-N 2.92Å; C559-L561 VanDerWaalsContact O-N 3.09Å; C559-L561 PolarHBondContact SG-N 3.48Å; C559-S562 VanDerWaalsContact CB-OG 3.27Å; C559-S562 WeakPolarHBondContact CB-OG 3.42Å; C559-S562 PolarHBondContact SG-OG 2.97Å; C559-K563 VanDerWaalsContact O-CA 3.32Å; C559-K563 WeakPolarHBondContact O-CA 3.42Å; C559-K563 PolarHBondContact O-N 3.36Å; C559-C564 WeakPolarHBondContact CB-O 3.41Å; C559-C564 PolarHBondContact N-O 3.31Å; C559-I566 HydrophobicContact CB-CG1 3.74Å; C559-D582 HydrophobicContact CB-CB 4Å; C559-D582 PolarHBondContact SG-N 3.15Å
560	P	97.7	Very high	94.6	Very high	34 Å²	34	49.1 Å²	49.1	22%	0.221	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.8	-180	24.1	-34	0	0	0	113.5	K563 C580 V600	P560-K563 WeakPolarHBondContact O-CE 3.47Å; P560-K563 PolarHBondContact O-NZ 3.28Å; P560-C580 WeakPolarHBondContact CD-O 3.46Å; P560-V600 HydrophobicContact CG-CG2 3.86Å
561	L	96.9	Very high	95.9	Very high	62 Å²	62	45.7 Å²	45.7	33%	0.325	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-53.8	178.3	-74.6	169.2	0	0	0	114.1	C559 T585 Y586 I589 P599	C559-L561 PolarHBondContact O-N 2.92Å; C559-L561 VanDerWaalsContact O-N 3.09Å; C559-L561 PolarHBondContact SG-N 3.48Å; L561-T585 HydrophobicContact CB-CG2 3.72Å; L561-T585 HydrophobicContact CD1-CG2 4.33Å; L561-Y586 HydrophobicContact CD1-CD2 4.05Å; L561-I589 HydrophobicContact CD1-CD1 4.01Å; L561-I589 HydrophobicContact CD2-CD1 3.82Å; L561-I589 HydrophobicContact CG-CD1 4.34Å; L561-P599 HydrophobicContact CD1-CB 3.91Å; L561-P599 HydrophobicContact CD1-CG 3.75Å; L561-P599 HydrophobicContact CD2-CB 3.67Å; L561-P599 HydrophobicContact CD2-CG 4.44Å; L561-P599 HydrophobicContact CG-CB 3.61Å; L561-P599 HydrophobicContact CG-CG 3.89Å
562	S	96.4	Very high	96.5	Very high	43 Å²	43	41.5 Å²	41.5	30%	0.301	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-18.6	-174.8	52	0	0	0	0	113.9	C559 C564	C559-S562 VanDerWaalsContact CB-OG 3.27Å; C559-S562 WeakPolarHBondContact CB-OG 3.42Å; C559-S562 PolarHBondContact SG-OG 2.97Å; S562-C564 PolarHBondContact O-N 3.04Å
563	K	96.5	Very high	96.7	Very high	143 Å²	143	47.2 Å²	47.2	62%	0.622	24%	0.237	S	C	*	.	S	Bend	trans	60.5	8.8	-169.3	-50.1	-50.9	-169.1	-169.4	0	114.9	C559 P560	C559-K563 VanDerWaalsContact O-CA 3.32Å; C559-K563 WeakPolarHBondContact O-CA 3.42Å; C559-K563 PolarHBondContact O-N 3.36Å; P560-K563 WeakPolarHBondContact O-CE 3.47Å; P560-K563 PolarHBondContact O-NZ 3.28Å
564	C	96.5	Very high	96.8	Very high	80 Å²	80	50.3 Å²	50.3	54%	0.541	25%	0.253	S	S	.	.	S	Bend	trans	-89.2	162.4	167	-54.7	0	0	0	0	110.2	C559 S562	C559-C564 WeakPolarHBondContact CB-O 3.41Å; C559-C564 PolarHBondContact N-O 3.31Å; S562-C564 PolarHBondContact O-N 3.04Å
565	R	97.5	Very high	96.9	Very high	65 Å²	65	47.4 Å²	47.4	25%	0.245	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-52.8	140.4	167.7	-171.2	176.7	178.9	92.9	-5.8	110.6	L558 L620 S625 Q626 L628	L558-R565 HydrophobicContact CD2-CB 4.4Å; R565-L620 HydrophobicContact CG-CD2 4.11Å; R565-L620 PolarHBondContact NH2-O 2.88Å; R565-S625 VanDerWaalsContact CZ-O 3.32Å; R565-S625 PolarHBondContact NH1-O 2.87Å; R565-S625 PolarHBondContact NH2-O 3.14Å; R565-S625 PolarHBondContact NH2-OG 3.04Å; R565-Q626 PolarHBondContact NH1-O 3.24Å; R565-L628 PolarHBondContact NH1-O 3.06Å
566	I	97.9	Very high	96.8	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-69.5	130	179	-65.8	165.5	0	0	0	109.7	L557 C559 P569 C580 D582 F616 L620	L557-I566 WeakPolarHBondContact O-CG1 3.39Å; L557-I566 PolarHBondContact O-N 2.95Å; C559-I566 HydrophobicContact CB-CG1 3.74Å; I566-P569 VanDerWaalsContact CG2-CA 3.49Å; I566-P569 HydrophobicContact CG2-CB 3.81Å; I566-C580 HydrophobicContact CD1-CB 4.34Å; I566-D582 HydrophobicContact CG2-CB 4.43Å; I566-F616 HydrophobicContact CD1-CD1 4.49Å; I566-F616 HydrophobicContact CD1-CE1 4.07Å; I566-L620 HydrophobicContact CB-CD1 3.87Å; I566-L620 HydrophobicContact CB-CD2 4.37Å; I566-L620 HydrophobicContact CG2-CD1 3.77Å
567	E	95.9	Very high	96.8	Very high	145 Å²	145	54.8 Å²	54.8	68%	0.678	26%	0.259	S	S	*	.	S	Bend	trans	-91.5	-52.8	171.8	-65.7	179.6	174.6	0	0	110.7
568	V	96.8	Very high	96.7	Very high	16 Å²	16	55 Å²	55	10%	0.097	26%	0.261	C	S	.	.	S	Bend	trans	-116.9	98.4	179.4	-179.8	0	0	0	0	109	C494 H498 V570 D582 A583	C494-V568 HydrophobicContact CB-CG2 4.36Å; H498-V568 WeakPolarHBondContact NE2-CG1 3.34Å; V568-V570 HydrophobicContact CG1-CG1 4.37Å; V568-V570 PolarHBondContact O-N 3.05Å; V568-D582 PolarHBondContact N-OD1 2.85Å; V568-D582 WeakPolarHBondContact O-CA 3.1Å; V568-A583 HydrophobicContact CB-CB 3.84Å; V568-A583 HydrophobicContact CG1-CB 3.6Å; V568-A583 PolarHBondContact O-N 3.31Å
569	P	98	Very high	96.6	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	115.7	-176.5	28.8	-34	0	0	0	111.2	I566 C580 V612 D613 F616 L617 L620	I566-P569 VanDerWaalsContact CG2-CA 3.49Å; I566-P569 HydrophobicContact CG2-CB 3.81Å; P569-C580 HydrophobicContact CB-CB 3.98Å; P569-V612 WeakPolarHBondContact O-CA 3.49Å; P569-D613 PolarHBondContact O-N 3.1Å; P569-F616 HydrophobicContact CB-CB 3.56Å; P569-F616 HydrophobicContact CB-CD1 4.21Å; P569-F616 HydrophobicContact CB-CG 4.15Å; P569-F616 HydrophobicContact CG-CB 3.86Å; P569-L617 HydrophobicContact CG-CB 3.93Å; P569-L617 HydrophobicContact CG-CD1 4.3Å; P569-L620 HydrophobicContact CB-CD1 4.05Å; P569-L620 HydrophobicContact CG-CD1 3.97Å
570	V	98.2	Very high	96.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153	172.6	-67	0	0	0	0	112.3	L497 V568 Y581 A583 I611 V612	L497-V570 HydrophobicContact CD1-CG1 4.39Å; V568-V570 HydrophobicContact CG1-CG1 4.37Å; V568-V570 PolarHBondContact O-N 3.05Å; V570-Y581 HydrophobicContact CG2-CD2 3.85Å; V570-Y581 HydrophobicContact CG2-CE2 3.74Å; V570-Y581 VanDerWaalsContact CG2-O 3.29Å; V570-Y581 WeakPolarHBondContact CG2-O 3.48Å; V570-Y581 PolarHBondContact N-O 2.86Å; V570-Y581 WeakPolarHBondContact O-CD1 3.32Å; V570-Y581 PolarHBondContact O-N 3.39Å; V570-A583 HydrophobicContact CB-CB 4.37Å; V570-A583 HydrophobicContact CG1-CB 3.72Å; V570-A583 HydrophobicContact CG2-CB 3.67Å; V570-I611 VanDerWaalsContact CA-O 3.22Å; V570-I611 WeakPolarHBondContact CA-O 3.43Å; V570-I611 WeakPolarHBondContact CB-O 3.42Å; V570-I611 WeakPolarHBondContact CG1-O 3.37Å; V570-V612 HydrophobicContact CG1-CG2 4Å
571	R	97	Very high	96.7	Very high	5 Å²	5	53.3 Å²	53.3	2%	0.019	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.5	161.9	59.5	-172.4	-175.9	120.1	13.7	109	Q503 M508 E511 C575 H577 Y581 I611 D613	Q503-R571 VanDerWaalsContact OE1-NH2 3.15Å; M508-R571 VanDerWaalsContact CE-NH2 3.31Å; M508-R571 PolarHBondContact SD-NH2 2.9Å; E511-R571 IonicContact OE1-NH1 3.61Å; E511-R571 PolarHBondContact OE1-NH1 3.24Å; E511-R571 VanDerWaalsContact OE1-NH1 3.09Å; E511-R571 IonicContact OE2-CZ 3.68Å; E511-R571 IonicContact OE2-NH1 3.99Å; E511-R571 PolarHBondContact OE2-NH1 3.43Å; E511-R571 VanDerWaalsContact OE2-NH1 3.13Å; E511-R571 IonicContact OE2-NH2 2.69Å; E511-R571 PolarHBondContact OE2-NH2 2.84Å; R571-C575 HydrophobicContact CB-CB 4.47Å; R571-H577 PolarHBondContact NH1-O 2.95Å; R571-H577 VanDerWaalsContact NH1-O 3.1Å; R571-Y581 HydrophobicContact CB-CE1 4.38Å; R571-I611 HydrophobicContact CG-CD1 4.08Å; R571-I611 HydrophobicContact CG-CG1 4.05Å; R571-I611 PolarHBondContact N-O 2.73Å; R571-I611 VanDerWaalsContact O-CG1 3.27Å; R571-I611 WeakPolarHBondContact O-CG1 3.43Å; R571-I611 PolarHBondContact O-N 2.81Å; R571-D613 IonicContact CZ-OD2 3.14Å; R571-D613 IonicContact NE-OD2 3.46Å; R571-D613 PolarHBondContact NE-OD2 3.3Å; R571-D613 VanDerWaalsContact NE-OD2 3.14Å; R571-D613 IonicContact NH2-OD2 2.74Å
572	G	97.2	Very high	96.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	142.7	169.7	0	0	0	0	0	110.6	N574 C575 Y581 D609	G572-N574 PolarHBondContact O-N 3.44Å; G572-C575 VanDerWaalsContact CA-SG 3.6Å; G572-C575 PolarHBondContact N-SG 3.13Å; G572-C575 VanDerWaalsContact N-SG 3.38Å; G572-C575 WeakPolarHBondContact O-CB 3.46Å; G572-C575 PolarHBondContact O-N 2.89Å; G572-C575 PolarHBondContact O-SG 3.48Å; G572-C575 VanDerWaalsContact O-SG 3.32Å; G572-Y581 PolarHBondContact N-OH 3.05Å; G572-D609 CarbonylContact C-O 3.47Å
573	R	95.3	Very high	96.8	Very high	148 Å²	148	48.6 Å²	48.6	56%	0.558	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.1	179	-165.9	-175.4	-51	-132.5	2.3	113.9	E608 D609 I611	R573-E608 PolarHBondContact NH2-O 2.92Å; R573-D609 VanDerWaalsContact CB-O 3.3Å; R573-D609 WeakPolarHBondContact CB-O 3.37Å; R573-D609 PolarHBondContact N-O 2.96Å; R573-I611 HydrophobicContact CB-CG2 4.33Å; R573-I611 HydrophobicContact CG-CG2 4.47Å
574	N	95.2	Very high	96.8	Very high	114 Å²	114	42.6 Å²	42.6	61%	0.61	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	2.9	179.7	-59.2	-47.5	0	0	0	113.6	G572 D609	G572-N574 PolarHBondContact O-N 3.44Å; N574-D609 PolarHBondContact ND2-OD2 3.13Å
575	C	96.6	Very high	96.9	Very high	11 Å²	11	40.2 Å²	40.2	7%	0.074	18%	0.179	C	C	.	.			trans	-76.4	132.5	-178.9	-68.6	0	0	0	0	111.9	R571 G572 H577	R571-C575 HydrophobicContact CB-CB 4.47Å; G572-C575 VanDerWaalsContact CA-SG 3.6Å; G572-C575 PolarHBondContact N-SG 3.13Å; G572-C575 VanDerWaalsContact N-SG 3.38Å; G572-C575 WeakPolarHBondContact O-CB 3.46Å; G572-C575 PolarHBondContact O-N 2.89Å; G572-C575 PolarHBondContact O-SG 3.48Å; G572-C575 VanDerWaalsContact O-SG 3.32Å; C575-H577 VanDerWaalsContact CB-NE2 3.33Å; C575-H577 WeakPolarHBondContact CB-NE2 3.24Å; C575-H577 PolarHBondContact SG-NE2 3.47Å; C575-H577 VanDerWaalsContact SG-NE2 3.43Å
576	R	94.1	Very high	96.9	Very high	214 Å²	214	37.4 Å²	37.4	81%	0.808	17%	0.169	S	C	*	.			trans	-91.5	-7.3	178.3	-62.6	-175.4	-178.9	-175.9	0.3	114.5	K515	K515-R576 PolarHBondContact NZ-O 3.12Å
577	H	95.3	Very high	96.9	Very high	29 Å²	29	37.1 Å²	37.1	13%	0.134	17%	0.167	C	C	.	.			trans	-85.3	155.8	174.2	53.2	85.8	0	0	0	111.5	R571 C575 Q579 C598 V600 C601	R571-H577 PolarHBondContact NH1-O 2.95Å; R571-H577 VanDerWaalsContact NH1-O 3.1Å; C575-H577 VanDerWaalsContact CB-NE2 3.33Å; C575-H577 WeakPolarHBondContact CB-NE2 3.24Å; C575-H577 PolarHBondContact SG-NE2 3.47Å; C575-H577 VanDerWaalsContact SG-NE2 3.43Å; H577-Q579 PolarHBondContact CE1-O 2.75Å; H577-Q579 PolarHBondContact ND1-O 2.76Å; H577-C598 VanDerWaalsContact CE1-SG 3.6Å; H577-C598 PolarHBondContact NE2-SG 3.2Å; H577-V600 HydrophobicContact CB-CG1 4.01Å; H577-C601 VanDerWaalsContact CD2-SG 3.53Å; H577-C601 PolarHBondContact NE2-SG 3.31Å
578	V	95.2	Very high	96.8	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.036	15%	0.149	C	C	.	.			trans	-85.2	-37.9	172	176.9	0	0	0	0	110.5	M508 I512 K515 L553 V555 C580 F616 F633	M508-V578 HydrophobicContact CE-CG1 4.41Å; M508-V578 HydrophobicContact CE-CG2 3.98Å; M508-V578 HydrophobicContact SD-CB 4.44Å; M508-V578 HydrophobicContact SD-CG1 3.91Å; M508-V578 HydrophobicContact SD-CG2 4.49Å; I512-V578 HydrophobicContact CD1-CG1 3.92Å; I512-V578 HydrophobicContact CG1-CG1 4.1Å; I512-V578 HydrophobicContact CG1-CG2 3.91Å; K515-V578 HydrophobicContact CD-CG2 4.26Å; L553-V578 HydrophobicContact CD2-CB 3.96Å; L553-V578 HydrophobicContact CD2-CG1 4.42Å; L553-V578 HydrophobicContact CD2-CG2 3.57Å; V555-V578 HydrophobicContact CG2-CB 4.42Å; V555-V578 HydrophobicContact CG2-CG1 4.11Å; V578-C580 PolarHBondContact O-N 2.88Å; V578-C580 VanDerWaalsContact O-N 3.15Å; V578-F616 HydrophobicContact CG1-CE2 4.24Å; V578-F616 VanDerWaalsContact O-CE2 3.25Å; V578-F616 WeakPolarHBondContact O-CE2 3.21Å; V578-F633 HydrophobicContact CG1-CE2 4.07Å
579	Q	97.3	Very high	96.8	Very high	32 Å²	32	35.5 Å²	35.5	15%	0.15	16%	0.161	C	C	.	.			trans	-48.2	117.7	178.8	-176.9	60.7	58.5	0	0	112.7	Q556 H577 V600	Q556-Q579 PolarHBondContact O-NE2 3.19Å; Q556-Q579 PolarHBondContact O-OE1 3.24Å; H577-Q579 PolarHBondContact CE1-O 2.75Å; H577-Q579 PolarHBondContact ND1-O 2.76Å; Q579-V600 HydrophobicContact CB-CG1 4.22Å; Q579-V600 HydrophobicContact CG-CG1 4.43Å; Q579-V600 HydrophobicContact CG-CG2 4.14Å
580	C	98.1	Very high	96.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.162	C	C	.	.			trans	-87.9	170.1	172.8	-73.3	0	0	0	0	112	P560 I566 P569 V578 F616	P560-C580 WeakPolarHBondContact CD-O 3.46Å; I566-C580 HydrophobicContact CD1-CB 4.34Å; P569-C580 HydrophobicContact CB-CB 3.98Å; V578-C580 PolarHBondContact O-N 2.88Å; V578-C580 VanDerWaalsContact O-N 3.15Å; C580-F616 HydrophobicContact CB-CD1 3.96Å; C580-F616 HydrophobicContact CB-CD2 4.03Å; C580-F616 HydrophobicContact CB-CE1 3.91Å; C580-F616 HydrophobicContact CB-CE2 3.97Å; C580-F616 HydrophobicContact CB-CG 3.99Å; C580-F616 HydrophobicContact CB-CZ 3.88Å; C580-F616 WeakPolarHBondContact SG-CD2 3.36Å
581	Y	98.4	Very high	96.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	159.7	171.7	48.6	-88.2	0	0	0	110.2	V570 R571 G572 Y586 C598 P599 V600 L610	V570-Y581 HydrophobicContact CG2-CD2 3.85Å; V570-Y581 HydrophobicContact CG2-CE2 3.74Å; V570-Y581 VanDerWaalsContact CG2-O 3.29Å; V570-Y581 WeakPolarHBondContact CG2-O 3.48Å; V570-Y581 PolarHBondContact N-O 2.86Å; V570-Y581 WeakPolarHBondContact O-CD1 3.32Å; V570-Y581 PolarHBondContact O-N 3.39Å; R571-Y581 HydrophobicContact CB-CE1 4.38Å; G572-Y581 PolarHBondContact N-OH 3.05Å; Y581-Y586 HydrophobicContact CD2-CD2 4.13Å; Y581-Y586 HydrophobicContact CD2-CG 4.09Å; Y581-Y586 HydrophobicContact CE2-CD1 4.05Å; Y581-Y586 AromaticContact CE2-CD2 3.8Å; Y581-Y586 HydrophobicContact CE2-CD2 3.8Å; Y581-Y586 HydrophobicContact CE2-CE1 4.4Å; Y581-Y586 HydrophobicContact CE2-CE2 4.19Å; Y581-Y586 AromaticContact CE2-CG 3.73Å; Y581-Y586 HydrophobicContact CE2-CG 3.73Å; Y581-C598 WeakPolarHBondContact CE1-SG 3.17Å; Y581-P599 HydrophobicContact CD1-CG 3.6Å; Y581-P599 HydrophobicContact CD2-CG 3.86Å; Y581-P599 HydrophobicContact CE1-CG 4.06Å; Y581-P599 HydrophobicContact CE2-CG 4.27Å; Y581-P599 HydrophobicContact CG-CG 3.5Å; Y581-P599 VanDerWaalsContact CG-CG 3.5Å; Y581-V600 HydrophobicContact CD1-CG2 4.12Å; Y581-L610 HydrophobicContact CE2-CD2 4.44Å
582	D	98.2	Very high	95.8	Very high	6 Å²	6	46 Å²	46	3%	0.032	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.9	-177.6	173.9	61.9	0	0	0	112.6	C559 I566 V568 T584 T585 Y586	C559-D582 HydrophobicContact CB-CB 4Å; C559-D582 PolarHBondContact SG-N 3.15Å; I566-D582 HydrophobicContact CG2-CB 4.43Å; V568-D582 PolarHBondContact N-OD1 2.85Å; V568-D582 WeakPolarHBondContact O-CA 3.1Å; D582-T584 PolarHBondContact OD2-N 3.02Å; D582-T585 VanDerWaalsContact OD2-CB 3.24Å; D582-T585 WeakPolarHBondContact OD2-CB 3.35Å; D582-T585 PolarHBondContact OD2-N 2.65Å; D582-T585 PolarHBondContact OD2-OG1 2.85Å; D582-Y586 WeakPolarHBondContact O-CB 3.3Å; D582-Y586 PolarHBondContact O-N 2.93Å
583	A	97.8	Very high	95.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-42.7	-178	0	0	0	0	0	112.7	V568 V570 T585 Y586 L587	V568-A583 HydrophobicContact CB-CB 3.84Å; V568-A583 HydrophobicContact CG1-CB 3.6Å; V568-A583 PolarHBondContact O-N 3.31Å; V570-A583 HydrophobicContact CB-CB 4.37Å; V570-A583 HydrophobicContact CG1-CB 3.72Å; V570-A583 HydrophobicContact CG2-CB 3.67Å; A583-T585 VanDerWaalsContact C-N 3.35Å; A583-T585 PolarHBondContact O-N 2.82Å; A583-Y586 PolarHBondContact O-N 2.83Å; A583-L587 WeakPolarHBondContact O-CB 3.33Å; A583-L587 WeakPolarHBondContact O-CD1 3.22Å; A583-L587 WeakPolarHBondContact O-CG 3.29Å; A583-L587 PolarHBondContact O-N 2.89Å
584	T	97	Very high	95	Very high	18 Å²	18	49.4 Å²	49.4	11%	0.11	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-46.4	-177.1	-57.6	0	0	0	0	110.4	P490 C494 D582 L587 I588	P490-T584 HydrophobicContact CB-CG2 4.48Å; C494-T584 PolarHBondContact SG-OG1 2.91Å; C494-T584 VanDerWaalsContact SG-OG1 3.38Å; D582-T584 PolarHBondContact OD2-N 3.02Å; T584-L587 PolarHBondContact O-N 3.39Å; T584-I588 HydrophobicContact CG2-CD1 4.04Å; T584-I588 WeakPolarHBondContact O-CD1 3.48Å; T584-I588 VanDerWaalsContact O-CG1 3.26Å; T584-I588 WeakPolarHBondContact O-CG1 3.49Å; T584-I588 PolarHBondContact O-N 3.15Å
585	T	97.2	Very high	94.8	Very high	30 Å²	30	46.4 Å²	46.4	18%	0.184	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-48.4	174	-57.3	0	0	0	0	111.5	L561 D582 A583 L587 I588 I589	L561-T585 HydrophobicContact CB-CG2 3.72Å; L561-T585 HydrophobicContact CD1-CG2 4.33Å; D582-T585 VanDerWaalsContact OD2-CB 3.24Å; D582-T585 WeakPolarHBondContact OD2-CB 3.35Å; D582-T585 PolarHBondContact OD2-N 2.65Å; D582-T585 PolarHBondContact OD2-OG1 2.85Å; A583-T585 VanDerWaalsContact C-N 3.35Å; A583-T585 PolarHBondContact O-N 2.82Å; T585-L587 VanDerWaalsContact C-N 3.33Å; T585-L587 PolarHBondContact O-N 2.81Å; T585-I588 PolarHBondContact O-N 2.78Å; T585-I589 HydrophobicContact CG2-CD1 4.24Å; T585-I589 WeakPolarHBondContact O-CG1 3.43Å; T585-I589 PolarHBondContact O-N 3.49Å; T585-I589 VanDerWaalsContact O-N 3.14Å
586	Y	98	Very high	94.8	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.02	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-40.7	-179.9	-174.5	-112.1	0	0	0	112.6	L561 Y581 D582 A583 I589 N590 W596 N597 A605 L610	L561-Y586 HydrophobicContact CD1-CD2 4.05Å; Y581-Y586 HydrophobicContact CD2-CD2 4.13Å; Y581-Y586 HydrophobicContact CD2-CG 4.09Å; Y581-Y586 HydrophobicContact CE2-CD1 4.05Å; Y581-Y586 AromaticContact CE2-CD2 3.8Å; Y581-Y586 HydrophobicContact CE2-CD2 3.8Å; Y581-Y586 HydrophobicContact CE2-CE1 4.4Å; Y581-Y586 HydrophobicContact CE2-CE2 4.19Å; Y581-Y586 AromaticContact CE2-CG 3.73Å; Y581-Y586 HydrophobicContact CE2-CG 3.73Å; D582-Y586 WeakPolarHBondContact O-CB 3.3Å; D582-Y586 PolarHBondContact O-N 2.93Å; A583-Y586 PolarHBondContact O-N 2.83Å; Y586-I589 PolarHBondContact O-N 3.44Å; Y586-N590 WeakPolarHBondContact CE2-ND2 3.43Å; Y586-N590 PolarHBondContact O-N 3.49Å; Y586-N590 VanDerWaalsContact O-N 3.11Å; Y586-N590 PolarHBondContact O-ND2 2.85Å; Y586-W596 AromaticContact CE1-CE3 3.97Å; Y586-W596 HydrophobicContact CE1-CE3 3.97Å; Y586-W596 HydrophobicContact CE1-CZ3 4.07Å; Y586-W596 WeakPolarHBondContact OH-CA 3.28Å; Y586-N597 WeakPolarHBondContact CE2-O 3.32Å; Y586-N597 PolarHBondContact OH-N 2.77Å; Y586-N597 PolarHBondContact OH-O 2.85Å; Y586-A605 PolarHBondContact OH-O 2.85Å; Y586-L610 HydrophobicContact CD1-CD1 4.01Å; Y586-L610 HydrophobicContact CD1-CD2 4.29Å; Y586-L610 HydrophobicContact CE1-CD1 4.04Å; Y586-L610 HydrophobicContact CE1-CD2 3.93Å; Y586-L610 HydrophobicContact CE1-CG 4.49Å
587	L	97.5	Very high	94.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70	-40.7	178.3	-70.7	166.2	0	0	0	112	F307 P490 L493 A583 T584 T585 I589 N590 E591 W596 Y607	F307-L587 HydrophobicContact CE1-CB 4.4Å; F307-L587 HydrophobicContact CE1-CD2 4.46Å; F307-L587 HydrophobicContact CZ-CD2 4.29Å; F307-L587 WeakPolarHBondContact CZ-O 3.36Å; P490-L587 HydrophobicContact CB-CB 3.96Å; L493-L587 HydrophobicContact CB-CD1 3.77Å; L493-L587 HydrophobicContact CB-CD2 4.44Å; L493-L587 HydrophobicContact CD1-CD2 4.18Å; A583-L587 WeakPolarHBondContact O-CB 3.33Å; A583-L587 WeakPolarHBondContact O-CD1 3.22Å; A583-L587 WeakPolarHBondContact O-CG 3.29Å; A583-L587 PolarHBondContact O-N 2.89Å; T584-L587 PolarHBondContact O-N 3.39Å; T585-L587 VanDerWaalsContact C-N 3.33Å; T585-L587 PolarHBondContact O-N 2.81Å; L587-I589 VanDerWaalsContact C-N 3.27Å; L587-I589 PolarHBondContact O-N 2.97Å; L587-N590 PolarHBondContact O-N 3.07Å; L587-E591 PolarHBondContact O-N 3Å; L587-W596 HydrophobicContact CD2-CH2 4.26Å; L587-W596 HydrophobicContact CD2-CZ3 4.38Å; L587-Y607 HydrophobicContact CD2-CD2 3.8Å; L587-Y607 HydrophobicContact CD2-CE2 4.07Å
588	I	95.5	Very high	95	Very high	56 Å²	56	38.2 Å²	38.2	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-61.4	-36.5	175.4	-70.8	164.4	0	0	0	111.6	P490 T584 T585 R592	P490-I588 HydrophobicContact CB-CG1 4.12Å; P490-I588 HydrophobicContact CG-CG1 3.74Å; T584-I588 HydrophobicContact CG2-CD1 4.04Å; T584-I588 WeakPolarHBondContact O-CD1 3.48Å; T584-I588 VanDerWaalsContact O-CG1 3.26Å; T584-I588 WeakPolarHBondContact O-CG1 3.49Å; T584-I588 PolarHBondContact O-N 3.15Å; T585-I588 PolarHBondContact O-N 2.78Å; I588-R592 WeakPolarHBondContact O-CG 3.2Å
589	I	95	Very high	95.1	Very high	71 Å²	71	39.9 Å²	39.9	36%	0.364	20%	0.198	S	C	.	.	H	α-helix	trans	-67.5	-47.6	175.4	-68.4	168.6	0	0	0	110.3	L561 T585 Y586 L587 E591 R592 K593	L561-I589 HydrophobicContact CD1-CD1 4.01Å; L561-I589 HydrophobicContact CD2-CD1 3.82Å; L561-I589 HydrophobicContact CG-CD1 4.34Å; T585-I589 HydrophobicContact CG2-CD1 4.24Å; T585-I589 WeakPolarHBondContact O-CG1 3.43Å; T585-I589 PolarHBondContact O-N 3.49Å; T585-I589 VanDerWaalsContact O-N 3.14Å; Y586-I589 PolarHBondContact O-N 3.44Å; L587-I589 VanDerWaalsContact C-N 3.27Å; L587-I589 PolarHBondContact O-N 2.97Å; I589-E591 PolarHBondContact O-N 3.22Å; I589-R592 PolarHBondContact O-N 2.71Å; I589-R592 VanDerWaalsContact O-N 3.15Å; I589-K593 PolarHBondContact O-N 2.83Å
590	N	94.4	Very high	95.1	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.011	21%	0.206	C	C	.	.	H	α-helix	trans	-70.5	-27	-179.2	-76.6	-76.1	0	0	0	113.8	F307 Y586 L587 R592 K593 P594 T595 W596	F307-N590 HydrophobicContact CZ-CB 4.45Å; Y586-N590 WeakPolarHBondContact CE2-ND2 3.43Å; Y586-N590 PolarHBondContact O-N 3.49Å; Y586-N590 VanDerWaalsContact O-N 3.11Å; Y586-N590 PolarHBondContact O-ND2 2.85Å; L587-N590 PolarHBondContact O-N 3.07Å; N590-R592 VanDerWaalsContact C-N 3.26Å; N590-R592 PolarHBondContact O-N 3.38Å; N590-K593 CarbonylContact O-C 3.54Å; N590-P594 VanDerWaalsContact O-CA 3.26Å; N590-P594 WeakPolarHBondContact O-CA 3.23Å; N590-P594 WeakPolarHBondContact O-CB 3.48Å; N590-P594 WeakPolarHBondContact O-CD 3.39Å; N590-P594 VanDerWaalsContact O-N 3.16Å; N590-T595 PolarHBondContact OD1-N 3.44Å; N590-W596 HydrophobicContact CB-CD2 4.23Å; N590-W596 HydrophobicContact CB-CE3 4.16Å; N590-W596 HydrophobicContact CB-CH2 3.77Å; N590-W596 HydrophobicContact CB-CZ2 3.85Å; N590-W596 HydrophobicContact CB-CZ3 3.93Å; N590-W596 PolarHBondContact OD1-N 3.3Å
591	E	91.3	Very high	95.1	Very high	63 Å²	63	43.7 Å²	43.7	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-33.6	170.8	-165.3	-177.7	-158	0	0	111.5	F307 R487 L587 I589	F307-E591 HydrophobicContact CD1-CB 4.14Å; F307-E591 HydrophobicContact CD1-CG 4Å; F307-E591 HydrophobicContact CD2-CG 4.48Å; F307-E591 HydrophobicContact CE1-CB 3.71Å; F307-E591 HydrophobicContact CE1-CG 4.1Å; F307-E591 HydrophobicContact CE2-CB 4.13Å; F307-E591 HydrophobicContact CG-CG 4.21Å; F307-E591 HydrophobicContact CZ-CB 3.71Å; F307-E591 HydrophobicContact CZ-CG 4.39Å; R487-E591 IonicContact CZ-OE1 3.54Å; R487-E591 IonicContact NE-OE1 3.5Å; R487-E591 PolarHBondContact NE-OE1 3.43Å; R487-E591 IonicContact NH2-OE1 3.38Å; R487-E591 PolarHBondContact NH2-OE1 3.48Å; R487-E591 IonicContact NH2-OE2 2.66Å; L587-E591 PolarHBondContact O-N 3Å; I589-E591 PolarHBondContact O-N 3.22Å
592	R	87.1	Confident	95	Very high	162 Å²	162	49.8 Å²	49.8	61%	0.611	26%	0.258	S	S	*	.	H	α-helix	trans	-85.3	-37.1	179.8	-65.4	172.7	-178.7	-174.3	1.8	113.1	I588 I589 N590	I588-R592 WeakPolarHBondContact O-CG 3.2Å; I589-R592 PolarHBondContact O-N 2.71Å; I589-R592 VanDerWaalsContact O-N 3.15Å; N590-R592 VanDerWaalsContact C-N 3.26Å; N590-R592 PolarHBondContact O-N 3.38Å
593	K	87.3	Confident	94.9	Very high	133 Å²	133	51 Å²	51	58%	0.578	27%	0.273	S	S	*	.	S	Bend	trans	-150.9	92.1	-178.3	-172.6	-167.8	177.3	-172.9	0	108.7	I589 N590 T595	I589-K593 PolarHBondContact O-N 2.83Å; N590-K593 CarbonylContact O-C 3.54Å; K593-T595 VanDerWaalsContact C-N 3.35Å; K593-T595 HydrophobicContact CD-CG2 4.07Å; K593-T595 HydrophobicContact CG-CG2 4.08Å; K593-T595 PolarHBondContact O-N 3.46Å
594	P	88.6	Confident	94.8	Very high	85 Å²	85	56.9 Å²	56.9	55%	0.552	30%	0.298	S	S	*	.			trans	-73.8	81.3	-173.1	28.2	-35	0	0	0	112	N590	N590-P594 VanDerWaalsContact O-CA 3.26Å; N590-P594 WeakPolarHBondContact O-CA 3.23Å; N590-P594 WeakPolarHBondContact O-CB 3.48Å; N590-P594 WeakPolarHBondContact O-CD 3.39Å; N590-P594 VanDerWaalsContact O-N 3.16Å
595	T	91.6	Very high	94.8	Very high	51 Å²	51	56 Å²	56	31%	0.313	29%	0.293	S	S	.	.			trans	-86.1	-36.1	176.2	53.9	0	0	0	0	112.1	N590 K593 N597 K604	N590-T595 PolarHBondContact OD1-N 3.44Å; K593-T595 VanDerWaalsContact C-N 3.35Å; K593-T595 HydrophobicContact CD-CG2 4.07Å; K593-T595 HydrophobicContact CG-CG2 4.08Å; K593-T595 PolarHBondContact O-N 3.46Å; T595-N597 VanDerWaalsContact C-N 3.31Å; T595-N597 PolarHBondContact O-N 3.47Å; T595-N597 PolarHBondContact O-OD1 2.68Å; T595-N597 VanDerWaalsContact O-OD1 3.07Å; T595-K604 PolarHBondContact O-NZ 3.13Å
596	W	95	Very high	94.7	Very high	31 Å²	31	57 Å²	57	12%	0.117	30%	0.299	C	S	.	.			trans	53.9	44.3	-176.9	-56.5	107.3	0	0	0	113.4	P306 F307 Y586 L587 N590 K604 A605 V606	P306-W596 HydrophobicContact CG-CH2 3.77Å; P306-W596 HydrophobicContact CG-CZ2 3.83Å; F307-W596 HydrophobicContact CE2-CH2 4.03Å; F307-W596 AromaticContact CE2-CZ2 3.88Å; F307-W596 HydrophobicContact CE2-CZ2 3.88Å; F307-W596 HydrophobicContact CZ-CH2 4.21Å; F307-W596 HydrophobicContact CZ-CZ2 4.49Å; Y586-W596 AromaticContact CE1-CE3 3.97Å; Y586-W596 HydrophobicContact CE1-CE3 3.97Å; Y586-W596 HydrophobicContact CE1-CZ3 4.07Å; Y586-W596 WeakPolarHBondContact OH-CA 3.28Å; L587-W596 HydrophobicContact CD2-CH2 4.26Å; L587-W596 HydrophobicContact CD2-CZ3 4.38Å; N590-W596 HydrophobicContact CB-CD2 4.23Å; N590-W596 HydrophobicContact CB-CE3 4.16Å; N590-W596 HydrophobicContact CB-CH2 3.77Å; N590-W596 HydrophobicContact CB-CZ2 3.85Å; N590-W596 HydrophobicContact CB-CZ3 3.93Å; N590-W596 PolarHBondContact OD1-N 3.3Å; W596-K604 WeakPolarHBondContact O-CD 3.13Å; W596-A605 PolarHBondContact O-N 3.42Å; W596-V606 HydrophobicContact CB-CG1 3.94Å; W596-V606 HydrophobicContact CG-CG1 4.35Å
597	N	96.8	Very high	94.6	Very high	51 Å²	51	57.8 Å²	57.8	27%	0.273	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-109.8	138.3	173.1	-72.3	86.6	0	0	0	109.8	Y586 T595 D602 G603 K604	Y586-N597 WeakPolarHBondContact CE2-O 3.32Å; Y586-N597 PolarHBondContact OH-N 2.77Å; Y586-N597 PolarHBondContact OH-O 2.85Å; T595-N597 VanDerWaalsContact C-N 3.31Å; T595-N597 PolarHBondContact O-N 3.47Å; T595-N597 PolarHBondContact O-OD1 2.68Å; T595-N597 VanDerWaalsContact O-OD1 3.07Å; N597-D602 PolarHBondContact ND2-O 2.84Å; N597-G603 CarbonylContact C-O 3.5Å; N597-G603 WeakPolarHBondContact CA-O 3.28Å; N597-K604 PolarHBondContact OD1-NZ 3.47Å
598	C	98.1	Very high	94.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.328	C	S	.	.			trans	-68.1	129.5	177.9	177.1	0	0	0	0	111.4	H577 Y581 V600 D602 G603 A605	H577-C598 VanDerWaalsContact CE1-SG 3.6Å; H577-C598 PolarHBondContact NE2-SG 3.2Å; Y581-C598 WeakPolarHBondContact CE1-SG 3.17Å; C598-V600 PolarHBondContact O-N 3.26Å; C598-V600 VanDerWaalsContact O-N 3.13Å; C598-D602 VanDerWaalsContact O-CA 3.27Å; C598-D602 WeakPolarHBondContact O-CA 3.28Å; C598-D602 PolarHBondContact O-N 2.95Å; C598-G603 WeakPolarHBondContact CB-O 3.1Å; C598-G603 PolarHBondContact N-O 3.16Å; C598-A605 HydrophobicContact CB-CB 4.19Å
599	P	97.5	Very high	94.4	Very high	41 Å²	41	62.9 Å²	62.9	27%	0.266	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	0.1	-177.6	33.7	-39.9	0	0	0	115.2	L561 Y581	L561-P599 HydrophobicContact CD1-CB 3.91Å; L561-P599 HydrophobicContact CD1-CG 3.75Å; L561-P599 HydrophobicContact CD2-CB 3.67Å; L561-P599 HydrophobicContact CD2-CG 4.44Å; L561-P599 HydrophobicContact CG-CB 3.61Å; L561-P599 HydrophobicContact CG-CG 3.89Å; Y581-P599 HydrophobicContact CD1-CG 3.6Å; Y581-P599 HydrophobicContact CD2-CG 3.86Å; Y581-P599 HydrophobicContact CE1-CG 4.06Å; Y581-P599 HydrophobicContact CE2-CG 4.27Å; Y581-P599 HydrophobicContact CG-CG 3.5Å; Y581-P599 VanDerWaalsContact CG-CG 3.5Å
600	V	97.7	Very high	94.6	Very high	53 Å²	53	59.5 Å²	59.5	32%	0.321	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-27.6	-178.6	-178.9	0	0	0	0	112.3	P560 H577 Q579 Y581 C598	P560-V600 HydrophobicContact CG-CG2 3.86Å; H577-V600 HydrophobicContact CB-CG1 4.01Å; Q579-V600 HydrophobicContact CB-CG1 4.22Å; Q579-V600 HydrophobicContact CG-CG1 4.43Å; Q579-V600 HydrophobicContact CG-CG2 4.14Å; Y581-V600 HydrophobicContact CD1-CG2 4.12Å; C598-V600 PolarHBondContact O-N 3.26Å; C598-V600 VanDerWaalsContact O-N 3.13Å
601	C	97.3	Very high	94.7	Very high	60 Å²	60	59.9 Å²	59.9	41%	0.405	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.3	7.6	-175.3	68.3	0	0	0	0	114.9	H577 G603	H577-C601 VanDerWaalsContact CD2-SG 3.53Å; H577-C601 PolarHBondContact NE2-SG 3.31Å; C601-G603 PolarHBondContact O-N 3.03Å
602	D	96.1	Very high	95	Very high	127 Å²	127	56.9 Å²	56.9	68%	0.679	30%	0.296	S	S	*	.			trans	54.6	-3.3	-176.3	-70.5	-54.7	0	0	0	116.8	N597 C598	N597-D602 PolarHBondContact ND2-O 2.84Å; C598-D602 VanDerWaalsContact O-CA 3.27Å; C598-D602 WeakPolarHBondContact O-CA 3.28Å; C598-D602 PolarHBondContact O-N 2.95Å
603	G	96	Very high	95.5	Very high	33 Å²	33	49.2 Å²	49.2	34%	0.34	27%	0.267	S	S	.	.			trans	-60.3	161.4	173.4	0	0	0	0	0	112.9	N597 C598 C601	N597-G603 CarbonylContact C-O 3.5Å; N597-G603 WeakPolarHBondContact CA-O 3.28Å; C598-G603 WeakPolarHBondContact CB-O 3.1Å; C598-G603 PolarHBondContact N-O 3.16Å; C601-G603 PolarHBondContact O-N 3.03Å
604	K	96.2	Very high	96	Very high	123 Å²	123	42.9 Å²	42.9	54%	0.535	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-71.3	135.2	179.9	-73.3	-58.2	-170.1	-173.2	0	112.2	T595 W596 N597	T595-K604 PolarHBondContact O-NZ 3.13Å; W596-K604 WeakPolarHBondContact O-CD 3.13Å; N597-K604 PolarHBondContact OD1-NZ 3.47Å
605	A	96.2	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.			trans	-144.4	74.5	178.5	0	0	0	0	0	108	Y586 W596 C598 L610	Y586-A605 PolarHBondContact OH-O 2.85Å; W596-A605 PolarHBondContact O-N 3.42Å; C598-A605 HydrophobicContact CB-CB 4.19Å; A605-L610 HydrophobicContact CB-CD2 4.27Å
606	V	95.3	Very high	96.6	Very high	51 Å²	51	37.1 Å²	37.1	31%	0.309	20%	0.203	S	C	.	.			trans	-66.6	161.4	169.6	-63.2	0	0	0	0	110	W596 E608 D609 L610	W596-V606 HydrophobicContact CB-CG1 3.94Å; W596-V606 HydrophobicContact CG-CG1 4.35Å; V606-E608 PolarHBondContact O-N 3.02Å; V606-D609 HydrophobicContact CG2-CB 3.81Å; V606-D609 WeakPolarHBondContact O-CB 3.3Å; V606-D609 PolarHBondContact O-N 3.47Å; V606-L610 PolarHBondContact O-N 3.48Å
607	Y	96.2	Very high	96.7	Very high	21 Å²	21	37.3 Å²	37.3	8%	0.082	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-57.8	-36.6	-173.5	176.5	-103.4	0	0	0	112.7	P306 L493 L496 L497 L587 D609 L610	P306-Y607 HydrophobicContact CB-CD1 3.51Å; P306-Y607 HydrophobicContact CB-CD2 4.21Å; P306-Y607 HydrophobicContact CB-CE1 3.93Å; P306-Y607 HydrophobicContact CB-CG 3.66Å; P306-Y607 HydrophobicContact CG-CD1 4.2Å; P306-Y607 HydrophobicContact CG-CD2 4.38Å; P306-Y607 HydrophobicContact CG-CG 3.87Å; L493-Y607 HydrophobicContact CB-CE2 3.91Å; L493-Y607 HydrophobicContact CD2-CE1 4.21Å; L493-Y607 HydrophobicContact CD2-CE2 4.08Å; L493-Y607 WeakPolarHBondContact CD2-OH 3.36Å; L493-Y607 HydrophobicContact CG-CE2 4.43Å; L493-Y607 PolarHBondContact O-OH 3.04Å; L496-Y607 WeakPolarHBondContact CB-OH 3.49Å; L497-Y607 HydrophobicContact CD1-CD2 4.37Å; L497-Y607 HydrophobicContact CD1-CE2 3.76Å; L497-Y607 HydrophobicContact CD2-CD2 4.18Å; L497-Y607 HydrophobicContact CD2-CE1 4.44Å; L497-Y607 HydrophobicContact CD2-CE2 3.64Å; L497-Y607 HydrophobicContact CG-CD2 4.45Å; L497-Y607 HydrophobicContact CG-CE2 3.58Å; L587-Y607 HydrophobicContact CD2-CD2 3.8Å; L587-Y607 HydrophobicContact CD2-CE2 4.07Å; Y607-D609 VanDerWaalsContact C-N 3.29Å; Y607-D609 PolarHBondContact O-N 3.39Å; Y607-L610 HydrophobicContact CD2-CD1 4.15Å; Y607-L610 WeakPolarHBondContact O-CB 3.41Å; Y607-L610 PolarHBondContact O-N 3.24Å
608	E	94.2	Very high	96.7	Very high	118 Å²	118	40.3 Å²	40.3	55%	0.551	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-72.9	-22.7	-179.2	-56.9	67.5	-145.7	0	0	112.5	R573 V606	R573-E608 PolarHBondContact NH2-O 2.92Å; V606-E608 PolarHBondContact O-N 3.02Å
609	D	95.2	Very high	96.6	Very high	45 Å²	45	40.5 Å²	40.5	24%	0.241	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-89.7	-9.7	174.4	-90.7	-18.9	0	0	0	112.7	G572 R573 N574 V606 Y607	G572-D609 CarbonylContact C-O 3.47Å; R573-D609 VanDerWaalsContact CB-O 3.3Å; R573-D609 WeakPolarHBondContact CB-O 3.37Å; R573-D609 PolarHBondContact N-O 2.96Å; N574-D609 PolarHBondContact ND2-OD2 3.13Å; V606-D609 HydrophobicContact CG2-CB 3.81Å; V606-D609 WeakPolarHBondContact O-CB 3.3Å; V606-D609 PolarHBondContact O-N 3.47Å; Y607-D609 VanDerWaalsContact C-N 3.29Å; Y607-D609 PolarHBondContact O-N 3.39Å
610	L	97.6	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	145.5	175.3	-63.9	176	0	0	0	110.5	L497 S501 Y581 Y586 A605 V606 Y607	L497-L610 HydrophobicContact CD1-CB 4.31Å; L497-L610 HydrophobicContact CD1-CD1 3.88Å; L497-L610 HydrophobicContact CD2-CB 3.92Å; S501-L610 WeakPolarHBondContact CB-O 3.42Å; Y581-L610 HydrophobicContact CE2-CD2 4.44Å; Y586-L610 HydrophobicContact CD1-CD1 4.01Å; Y586-L610 HydrophobicContact CD1-CD2 4.29Å; Y586-L610 HydrophobicContact CE1-CD1 4.04Å; Y586-L610 HydrophobicContact CE1-CD2 3.93Å; Y586-L610 HydrophobicContact CE1-CG 4.49Å; A605-L610 HydrophobicContact CB-CD2 4.27Å; V606-L610 PolarHBondContact O-N 3.48Å; Y607-L610 HydrophobicContact CD2-CD1 4.15Å; Y607-L610 WeakPolarHBondContact O-CB 3.41Å; Y607-L610 PolarHBondContact O-N 3.24Å
611	I	97.5	Very high	96.5	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.1	168.7	53.2	166	0	0	0	109.2	S501 Q503 V570 R571 R573	S501-I611 VanDerWaalsContact O-CA 3.31Å; S501-I611 WeakPolarHBondContact O-CA 3.41Å; Q503-I611 HydrophobicContact CB-CD1 4.36Å; V570-I611 VanDerWaalsContact CA-O 3.22Å; V570-I611 WeakPolarHBondContact CA-O 3.43Å; V570-I611 WeakPolarHBondContact CB-O 3.42Å; V570-I611 WeakPolarHBondContact CG1-O 3.37Å; R571-I611 HydrophobicContact CG-CD1 4.08Å; R571-I611 HydrophobicContact CG-CG1 4.05Å; R571-I611 PolarHBondContact N-O 2.73Å; R571-I611 VanDerWaalsContact O-CG1 3.27Å; R571-I611 WeakPolarHBondContact O-CG1 3.43Å; R571-I611 PolarHBondContact O-N 2.81Å; R573-I611 HydrophobicContact CB-CG2 4.33Å; R573-I611 HydrophobicContact CG-CG2 4.47Å
612	V	98.1	Very high	96.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.6	168.8	-178.3	0	0	0	0	108.3	L497 S501 F502 Q503 P569 V570 G614	L497-V612 HydrophobicContact CB-CG2 3.84Å; S501-V612 PolarHBondContact O-N 3.27Å; F502-V612 HydrophobicContact CD2-CB 4.18Å; F502-V612 HydrophobicContact CD2-CG1 4.06Å; Q503-V612 PolarHBondContact N-O 2.88Å; P569-V612 WeakPolarHBondContact O-CA 3.49Å; V570-V612 HydrophobicContact CG1-CG2 4Å; V612-G614 PolarHBondContact O-N 3.42Å
613	D	97.8	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	109.3	-173.9	-164.1	-67.1	0	0	0	111.4	M508 P569 R571 L615 F616 L617	M508-D613 WeakPolarHBondContact CG-OD2 3.43Å; P569-D613 PolarHBondContact O-N 3.1Å; R571-D613 IonicContact CZ-OD2 3.14Å; R571-D613 IonicContact NE-OD2 3.46Å; R571-D613 PolarHBondContact NE-OD2 3.3Å; R571-D613 VanDerWaalsContact NE-OD2 3.14Å; R571-D613 IonicContact NH2-OD2 2.74Å; D613-L615 VanDerWaalsContact C-N 3.34Å; D613-L615 PolarHBondContact O-N 2.98Å; D613-L615 PolarHBondContact OD1-N 3.2Å; D613-L615 VanDerWaalsContact OD1-N 3.14Å; D613-F616 HydrophobicContact CB-CB 4.14Å; D613-F616 PolarHBondContact OD1-N 3.21Å; D613-F616 VanDerWaalsContact OD1-N 3.12Å; D613-L617 WeakPolarHBondContact O-CB 3.46Å; D613-L617 PolarHBondContact O-N 2.83Å
614	G	96.7	Very high	96	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-31.1	-176.8	0	0	0	0	0	114.2	Q503 V612 L617 E618	Q503-G614 VanDerWaalsContact O-CA 3.26Å; Q503-G614 WeakPolarHBondContact O-CA 3.47Å; Q503-G614 PolarHBondContact O-N 3.19Å; V612-G614 PolarHBondContact O-N 3.42Å; G614-L617 PolarHBondContact O-N 2.9Å; G614-E618 WeakPolarHBondContact O-CB 3.35Å; G614-E618 WeakPolarHBondContact O-CG 3.47Å; G614-E618 PolarHBondContact O-N 2.84Å
615	L	96.8	Very high	95.8	Very high	14 Å²	14	44 Å²	44	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-71.9	-45.5	179.6	180	61.4	0	0	0	110.1	A505 M508 K509 I512 D613 L617 E618 I619 F633	A505-L615 HydrophobicContact CB-CB 3.81Å; A505-L615 HydrophobicContact CB-CD1 4.19Å; M508-L615 HydrophobicContact CB-CB 3.97Å; M508-L615 HydrophobicContact CB-CD2 4.11Å; M508-L615 HydrophobicContact CG-CB 4.08Å; M508-L615 HydrophobicContact CG-CD2 3.79Å; K509-L615 HydrophobicContact CB-CD2 4.18Å; I512-L615 HydrophobicContact CD1-CD2 3.66Å; D613-L615 VanDerWaalsContact C-N 3.34Å; D613-L615 PolarHBondContact O-N 2.98Å; D613-L615 PolarHBondContact OD1-N 3.2Å; D613-L615 VanDerWaalsContact OD1-N 3.14Å; L615-L617 VanDerWaalsContact C-N 3.27Å; L615-L617 PolarHBondContact O-N 2.82Å; L615-E618 PolarHBondContact O-N 3.32Å; L615-I619 HydrophobicContact CD1-CD1 4.1Å; L615-I619 HydrophobicContact CG-CD1 3.93Å; L615-I619 WeakPolarHBondContact O-CB 3.29Å; L615-I619 WeakPolarHBondContact O-CD1 3.38Å; L615-I619 WeakPolarHBondContact O-CG1 3.29Å; L615-I619 PolarHBondContact O-N 3.02Å; L615-F633 HydrophobicContact CD2-CE1 3.81Å; L615-F633 HydrophobicContact CD2-CZ 4.19Å; L615-F633 HydrophobicContact CG-CE1 4.29Å
616	F	97	Very high	95.5	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-40.1	170.8	-107.9	-93	0	0	0	112	V555 L557 I566 P569 V578 C580 D613 I619 L620	V555-F616 HydrophobicContact CG1-CE1 4.34Å; V555-F616 HydrophobicContact CG1-CE2 3.84Å; V555-F616 HydrophobicContact CG1-CZ 3.34Å; L557-F616 HydrophobicContact CD2-CD1 4.43Å; L557-F616 HydrophobicContact CD2-CE1 4.21Å; I566-F616 HydrophobicContact CD1-CD1 4.49Å; I566-F616 HydrophobicContact CD1-CE1 4.07Å; P569-F616 HydrophobicContact CB-CB 3.56Å; P569-F616 HydrophobicContact CB-CD1 4.21Å; P569-F616 HydrophobicContact CB-CG 4.15Å; P569-F616 HydrophobicContact CG-CB 3.86Å; V578-F616 HydrophobicContact CG1-CE2 4.24Å; V578-F616 VanDerWaalsContact O-CE2 3.25Å; V578-F616 WeakPolarHBondContact O-CE2 3.21Å; C580-F616 HydrophobicContact CB-CD1 3.96Å; C580-F616 HydrophobicContact CB-CD2 4.03Å; C580-F616 HydrophobicContact CB-CE1 3.91Å; C580-F616 HydrophobicContact CB-CE2 3.97Å; C580-F616 HydrophobicContact CB-CG 3.99Å; C580-F616 HydrophobicContact CB-CZ 3.88Å; C580-F616 WeakPolarHBondContact SG-CD2 3.36Å; D613-F616 HydrophobicContact CB-CB 4.14Å; D613-F616 PolarHBondContact OD1-N 3.21Å; D613-F616 VanDerWaalsContact OD1-N 3.12Å; F616-I619 PolarHBondContact O-N 3.41Å; F616-L620 HydrophobicContact CD1-CD1 4.17Å; F616-L620 VanDerWaalsContact O-CB 3.3Å; F616-L620 WeakPolarHBondContact O-CB 3.15Å; F616-L620 WeakPolarHBondContact O-CD1 3.29Å; F616-L620 WeakPolarHBondContact O-CG 3.3Å; F616-L620 PolarHBondContact O-N 2.87Å
617	L	96.3	Very high	95.3	Very high	35 Å²	35	54.3 Å²	54.3	18%	0.183	26%	0.259	C	S	.	.	H	α-helix	trans	-67.7	-40.8	180	-172.3	64	0	0	0	112.2	F502 P569 D613 G614 L615 N621	F502-L617 HydrophobicContact CE2-CD2 3.99Å; P569-L617 HydrophobicContact CG-CB 3.93Å; P569-L617 HydrophobicContact CG-CD1 4.3Å; D613-L617 WeakPolarHBondContact O-CB 3.46Å; D613-L617 PolarHBondContact O-N 2.83Å; G614-L617 PolarHBondContact O-N 2.9Å; L615-L617 VanDerWaalsContact C-N 3.27Å; L615-L617 PolarHBondContact O-N 2.82Å; L617-N621 WeakPolarHBondContact CD1-ND2 3.41Å; L617-N621 WeakPolarHBondContact O-CB 3.3Å; L617-N621 PolarHBondContact O-N 2.66Å; L617-N621 PolarHBondContact O-ND2 3.35Å
618	E	96.4	Very high	95.2	Very high	114 Å²	114	55.4 Å²	55.4	53%	0.533	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-44.1	172	-76.3	168.8	-157.1	0	0	111.3	A505 G614 L615 S622	A505-E618 VanDerWaalsContact CB-CD 3.49Å; A505-E618 VanDerWaalsContact CB-OE1 3.23Å; A505-E618 WeakPolarHBondContact CB-OE1 3.27Å; A505-E618 WeakPolarHBondContact CB-OE2 3.24Å; G614-E618 WeakPolarHBondContact O-CB 3.35Å; G614-E618 WeakPolarHBondContact O-CG 3.47Å; G614-E618 PolarHBondContact O-N 2.84Å; L615-E618 PolarHBondContact O-N 3.32Å; E618-S622 WeakPolarHBondContact O-CB 3.44Å; E618-S622 PolarHBondContact O-N 2.86Å; E618-S622 VanDerWaalsContact O-N 3.13Å
619	I	97	Very high	95.2	Very high	3 Å²	3	56 Å²	56	2%	0.015	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-51.4	178.5	-69.5	165.7	0	0	0	111.2	L557 L615 F616 N621 S622 S625 I631 F633 W639	L557-I619 HydrophobicContact CD1-CG2 4.34Å; L557-I619 HydrophobicContact CD2-CG2 3.86Å; L615-I619 HydrophobicContact CD1-CD1 4.1Å; L615-I619 HydrophobicContact CG-CD1 3.93Å; L615-I619 WeakPolarHBondContact O-CB 3.29Å; L615-I619 WeakPolarHBondContact O-CD1 3.38Å; L615-I619 WeakPolarHBondContact O-CG1 3.29Å; L615-I619 PolarHBondContact O-N 3.02Å; F616-I619 PolarHBondContact O-N 3.41Å; I619-N621 VanDerWaalsContact C-N 3.26Å; I619-N621 PolarHBondContact O-N 2.96Å; I619-S622 WeakPolarHBondContact O-CB 3.42Å; I619-S622 PolarHBondContact O-N 2.86Å; I619-S622 PolarHBondContact O-OG 2.85Å; I619-S625 WeakPolarHBondContact O-CB 3.33Å; I619-S625 PolarHBondContact O-OG 2.86Å; I619-I631 HydrophobicContact CD1-CD1 3.86Å; I619-I631 HydrophobicContact CG2-CD1 3.96Å; I619-F633 HydrophobicContact CD1-CE1 3.59Å; I619-F633 HydrophobicContact CD1-CZ 3.49Å; I619-F633 VanDerWaalsContact CD1-CZ 3.49Å; I619-W639 HydrophobicContact CD1-CG 4.34Å; I619-W639 HydrophobicContact CG1-CD2 4.45Å; I619-W639 HydrophobicContact CG1-CZ2 4.31Å; I619-W639 HydrophobicContact CG2-CH2 4.48Å; I619-W639 HydrophobicContact CG2-CZ2 4.3Å
620	L	96.6	Very high	95.2	Very high	11 Å²	11	56.4 Å²	56.4	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-32.3	-177.2	-75.9	164.3	0	0	0	113	L557 R565 I566 P569 F616	L557-L620 HydrophobicContact CB-CD2 3.96Å; L557-L620 HydrophobicContact CD2-CD2 4.1Å; L557-L620 HydrophobicContact CD2-CG 4.48Å; L557-L620 HydrophobicContact CG-CD2 4.42Å; R565-L620 HydrophobicContact CG-CD2 4.11Å; R565-L620 PolarHBondContact NH2-O 2.88Å; I566-L620 HydrophobicContact CB-CD1 3.87Å; I566-L620 HydrophobicContact CB-CD2 4.37Å; I566-L620 HydrophobicContact CG2-CD1 3.77Å; P569-L620 HydrophobicContact CB-CD1 4.05Å; P569-L620 HydrophobicContact CG-CD1 3.97Å; F616-L620 HydrophobicContact CD1-CD1 4.17Å; F616-L620 VanDerWaalsContact O-CB 3.3Å; F616-L620 WeakPolarHBondContact O-CB 3.15Å; F616-L620 WeakPolarHBondContact O-CD1 3.29Å; F616-L620 WeakPolarHBondContact O-CG 3.3Å; F616-L620 PolarHBondContact O-N 2.87Å
621	N	95.4	Very high	95.1	Very high	120 Å²	120	56.4 Å²	56.4	64%	0.642	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-8.7	175.1	-70.7	-51.7	0	0	0	113.7	L617 I619	L617-N621 WeakPolarHBondContact CD1-ND2 3.41Å; L617-N621 WeakPolarHBondContact O-CB 3.3Å; L617-N621 PolarHBondContact O-N 2.66Å; L617-N621 PolarHBondContact O-ND2 3.35Å; I619-N621 VanDerWaalsContact C-N 3.26Å; I619-N621 PolarHBondContact O-N 2.96Å
622	S	94.9	Very high	95	Very high	31 Å²	31	57 Å²	57	22%	0.217	27%	0.273	C	S	.	.	S	Bend	trans	-75.4	134.4	-179.7	77.7	0	0	0	0	111.5	E618 I619 R624 S625 W639	E618-S622 WeakPolarHBondContact O-CB 3.44Å; E618-S622 PolarHBondContact O-N 2.86Å; E618-S622 VanDerWaalsContact O-N 3.13Å; I619-S622 WeakPolarHBondContact O-CB 3.42Å; I619-S622 PolarHBondContact O-N 2.86Å; I619-S622 PolarHBondContact O-OG 2.85Å; S622-R624 PolarHBondContact O-N 2.91Å; S622-S625 PolarHBondContact O-N 2.8Å; S622-S625 PolarHBondContact O-OG 3.3Å; S622-W639 WeakPolarHBondContact OG-CH2 3.21Å; S622-W639 WeakPolarHBondContact OG-CZ2 3.01Å
623	K	93.1	Very high	94.8	Very high	208 Å²	208	57 Å²	57	90%	0.904	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-58.4	-24.7	179.7	-65.7	-175.9	178.9	-179	0	113.8	S625	K623-S625 VanDerWaalsContact C-N 3.34Å
624	R	91.9	Very high	94.6	Very high	142 Å²	142	58.2 Å²	58.2	54%	0.536	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-71	-26.6	177	-175.3	179	-169.2	166.6	0.7	112.7	S622 W639 E644	S622-R624 PolarHBondContact O-N 2.91Å; R624-W639 HydrophobicContact CB-CH2 3.94Å; R624-W639 HydrophobicContact CG-CH2 4.01Å; R624-W639 HydrophobicContact CG-CZ3 4.25Å; R624-E644 IonicContact CZ-OE1 3.21Å; R624-E644 IonicContact CZ-OE2 3.51Å; R624-E644 IonicContact NE-OE1 3.57Å; R624-E644 PolarHBondContact NE-OE1 3.21Å; R624-E644 IonicContact NE-OE2 2.64Å; R624-E644 PolarHBondContact NE-OE2 3.22Å; R624-E644 IonicContact NH2-OE1 3.94Å; R624-E644 PolarHBondContact NH2-OE1 3.44Å; R624-E644 IonicContact NH2-OE2 2.67Å; R624-E644 PolarHBondContact NH2-OE2 2.76Å
625	S	92.5	Very high	94.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-97.8	-2.6	-176.1	85.7	0	0	0	0	114.6	R565 I619 S622 K623 D627 L628	R565-S625 VanDerWaalsContact CZ-O 3.32Å; R565-S625 PolarHBondContact NH1-O 2.87Å; R565-S625 PolarHBondContact NH2-O 3.14Å; R565-S625 PolarHBondContact NH2-OG 3.04Å; I619-S625 WeakPolarHBondContact O-CB 3.33Å; I619-S625 PolarHBondContact O-OG 2.86Å; S622-S625 PolarHBondContact O-N 2.8Å; S622-S625 PolarHBondContact O-OG 3.3Å; K623-S625 VanDerWaalsContact C-N 3.34Å; S625-D627 VanDerWaalsContact C-N 3.3Å; S625-D627 PolarHBondContact O-N 3.05Å; S625-L628 WeakPolarHBondContact O-CB 3.28Å; S625-L628 PolarHBondContact O-N 2.96Å
626	Q	90.2	Very high	94	Very high	111 Å²	111	64.1 Å²	64.1	52%	0.519	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-46.3	-167.4	-175.5	63.4	31.8	0	0	112.9	R565	R565-Q626 PolarHBondContact NH1-O 3.24Å
627	D	90.1	Very high	93.7	Very high	156 Å²	156	64.3 Å²	64.3	83%	0.834	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	10.5	-178	-51.7	-50.2	0	0	0	112.8	S625	S625-D627 VanDerWaalsContact C-N 3.3Å; S625-D627 PolarHBondContact O-N 3.05Å
628	L	93.5	Very high	93.5	Very high	44 Å²	44	64.7 Å²	64.7	23%	0.23	32%	0.322	C	S	.	.			trans	-92.2	135	177.5	-56.3	-176.2	0	0	0	111.5	L557 R565 S625 I631 W639 A641	L557-L628 HydrophobicContact CD1-CB 4.21Å; R565-L628 PolarHBondContact NH1-O 3.06Å; S625-L628 WeakPolarHBondContact O-CB 3.28Å; S625-L628 PolarHBondContact O-N 2.96Å; L628-I631 HydrophobicContact CD1-CG2 3.92Å; L628-W639 HydrophobicContact CD1-CZ3 4.27Å; L628-A641 HydrophobicContact CD1-CB 3.53Å; L628-A641 HydrophobicContact CD2-CB 3.8Å; L628-A641 HydrophobicContact CG-CB 4.34Å
629	E	94.6	Very high	93.4	Very high	131 Å²	131	61.8 Å²	61.8	61%	0.612	31%	0.307	S	S	*	.	S	Bend	trans	-91	-22.2	169.9	-62	-166.6	157.8	0	0	112.7	L557 L558	L557-E629 PolarHBondContact N-O 3.26Å; L558-E629 HydrophobicContact CD1-CB 4.05Å; L558-E629 HydrophobicContact CD1-CG 4.11Å; L558-E629 HydrophobicContact CD2-CB 4.47Å; L558-E629 HydrophobicContact CD2-CG 4.28Å; L558-E629 HydrophobicContact CG-CB 4Å; L558-E629 HydrophobicContact CG-CG 4.25Å
630	E	94.9	Very high	93.2	Very high	52 Å²	52	62.1 Å²	62.1	24%	0.243	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	147.9	-173.4	-173.9	166.8	146.1	0	0	110.8	P554 V555 Q556 L642	P554-E630 WeakPolarHBondContact CB-OE1 3.46Å; V555-E630 WeakPolarHBondContact O-CG 3.38Å; Q556-E630 HydrophobicContact CG-CB 4.43Å; Q556-E630 HydrophobicContact CG-CG 4.21Å; Q556-E630 WeakPolarHBondContact CG-OE2 3.43Å; Q556-E630 PolarHBondContact NE2-OE2 2.84Å; E630-L642 HydrophobicContact CB-CD1 3.9Å; E630-L642 HydrophobicContact CG-CD1 3.91Å
631	I	95.6	Very high	92.9	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	159.7	176.7	54.6	152.6	0	0	0	110.6	P554 V555 L557 I619 L628 F633 W639 S640	P554-I631 CarbonylContact C-O 3.45Å; P554-I631 WeakPolarHBondContact CA-O 3.34Å; V555-I631 PolarHBondContact N-O 3.17Å; V555-I631 PolarHBondContact O-N 3.34Å; L557-I631 HydrophobicContact CD1-CG2 4.04Å; L557-I631 HydrophobicContact CD2-CD1 4.42Å; L557-I631 HydrophobicContact CD2-CG1 4.17Å; L557-I631 HydrophobicContact CG-CG1 4.49Å; L557-I631 HydrophobicContact CG-CG2 4.42Å; I619-I631 HydrophobicContact CD1-CD1 3.86Å; I619-I631 HydrophobicContact CG2-CD1 3.96Å; L628-I631 HydrophobicContact CD1-CG2 3.92Å; I631-F633 HydrophobicContact CD1-CD2 4.23Å; I631-F633 HydrophobicContact CD1-CE1 4.22Å; I631-F633 HydrophobicContact CD1-CE2 3.69Å; I631-F633 HydrophobicContact CD1-CZ 3.69Å; I631-W639 HydrophobicContact CB-CE3 4.17Å; I631-W639 HydrophobicContact CD1-CB 4.2Å; I631-W639 HydrophobicContact CD1-CD2 4.46Å; I631-W639 HydrophobicContact CD1-CE3 4.45Å; I631-W639 HydrophobicContact CD1-CG 4.37Å; I631-W639 HydrophobicContact CG2-CE3 3.68Å; I631-W639 HydrophobicContact CG2-CZ3 3.82Å; I631-S640 WeakPolarHBondContact CA-O 3.31Å
632	I	95.3	Very high	91.9	Very high	22 Å²	22	60.8 Å²	60.8	11%	0.113	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.6	170.8	-65.5	174	0	0	0	108.5	T552 W639 S640 L642	T552-I632 HydrophobicContact CG2-CG2 4.18Å; I632-W639 CarbonylContact O-C 3.46Å; I632-W639 WeakPolarHBondContact O-CA 3.48Å; I632-W639 WeakPolarHBondContact O-CB 3.45Å; I632-S640 PolarHBondContact N-O 2.76Å; I632-S640 PolarHBondContact O-N 2.75Å; I632-L642 HydrophobicContact CD1-CD2 3.73Å; I632-L642 HydrophobicContact CD1-CG 4.39Å; I632-L642 HydrophobicContact CG1-CD2 4.17Å; I632-L642 HydrophobicContact CG1-CG 4.48Å
633	F	95.3	Very high	90.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	146.9	165.5	-72.5	-78.6	0	0	0	111.7	I512 T552 L553 V555 V578 L615 I619 I631 S638 W639	I512-F633 HydrophobicContact CD1-CD1 3.82Å; I512-F633 HydrophobicContact CD1-CD2 4.14Å; I512-F633 HydrophobicContact CD1-CE1 3.74Å; I512-F633 HydrophobicContact CD1-CE2 4.07Å; I512-F633 HydrophobicContact CD1-CG 4.01Å; I512-F633 HydrophobicContact CD1-CZ 3.87Å; I512-F633 HydrophobicContact CG2-CB 3.89Å; I512-F633 HydrophobicContact CG2-CD1 4.44Å; I512-F633 HydrophobicContact CG2-CG 4.25Å; T552-F633 CarbonylContact C-O 3.37Å; T552-F633 WeakPolarHBondContact CA-O 3.5Å; T552-F633 WeakPolarHBondContact CB-O 3.3Å; L553-F633 HydrophobicContact CB-CB 4.32Å; L553-F633 PolarHBondContact N-O 3.35Å; L553-F633 PolarHBondContact O-N 2.8Å; V555-F633 HydrophobicContact CB-CD2 4.18Å; V555-F633 HydrophobicContact CB-CE2 4Å; V555-F633 HydrophobicContact CG1-CE2 4.33Å; V555-F633 HydrophobicContact CG2-CD2 3.69Å; V555-F633 HydrophobicContact CG2-CE2 3.84Å; V578-F633 HydrophobicContact CG1-CE2 4.07Å; L615-F633 HydrophobicContact CD2-CE1 3.81Å; L615-F633 HydrophobicContact CD2-CZ 4.19Å; L615-F633 HydrophobicContact CG-CE1 4.29Å; I619-F633 HydrophobicContact CD1-CE1 3.59Å; I619-F633 HydrophobicContact CD1-CZ 3.49Å; I619-F633 VanDerWaalsContact CD1-CZ 3.49Å; I631-F633 HydrophobicContact CD1-CD2 4.23Å; I631-F633 HydrophobicContact CD1-CE1 4.22Å; I631-F633 HydrophobicContact CD1-CE2 3.69Å; I631-F633 HydrophobicContact CD1-CZ 3.69Å; F633-S638 WeakPolarHBondContact CA-O 3.19Å; F633-W639 HydrophobicContact CD1-CB 3.92Å; F633-W639 HydrophobicContact CE1-CB 4.22Å
634	H	93	Very high	89.4	Confident	25 Å²	25	55 Å²	55	12%	0.116	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	166.6	179	-66.2	-59.5	0	0	0	112.6	T552 D636 G637 S638 S640 E645	T552-H634 VanDerWaalsContact CG2-ND1 3.3Å; T552-H634 WeakPolarHBondContact CG2-ND1 3.41Å; H634-D636 VanDerWaalsContact CB-OD1 3.29Å; H634-D636 WeakPolarHBondContact CB-OD1 3.24Å; H634-D636 PolarHBondContact O-N 3.07Å; H634-G637 WeakPolarHBondContact O-CA 3.39Å; H634-G637 PolarHBondContact O-N 3.14Å; H634-S638 PolarHBondContact N-O 2.99Å; H634-S640 PolarHBondContact NE2-OG 3.19Å; H634-E645 VanDerWaalsContact CE1-CD 3.49Å; H634-E645 IonicContact CE1-OE1 3.36Å; H634-E645 PolarHBondContact CE1-OE1 3.17Å; H634-E645 IonicContact CE1-OE2 2.88Å; H634-E645 IonicContact ND1-OE1 2.68Å; H634-E645 IonicContact NE2-OE1 3.21Å
635	S	90.5	Very high	87.4	Confident	57 Å²	57	53.8 Å²	53.8	40%	0.399	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-20.1	-176.8	60	0	0	0	0	114.8	L516 N551 G637	L516-S635 WeakPolarHBondContact O-CB 3.21Å; N551-S635 PolarHBondContact O-N 3.16Å; S635-G637 VanDerWaalsContact C-N 3.26Å
636	D	90.3	Very high	84.9	Confident	82 Å²	82	58.4 Å²	58.4	44%	0.439	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-2.3	169.5	79	-39.3	0	0	0	113.3	K509 H634 S638	K509-D636 WeakPolarHBondContact CE-O 3.16Å; K509-D636 PolarHBondContact NZ-O 3.37Å; H634-D636 VanDerWaalsContact CB-OD1 3.29Å; H634-D636 WeakPolarHBondContact CB-OD1 3.24Å; H634-D636 PolarHBondContact O-N 3.07Å; D636-S638 VanDerWaalsContact C-N 3.31Å; D636-S638 PolarHBondContact O-N 2.72Å; D636-S638 VanDerWaalsContact OD1-CB 3.26Å; D636-S638 WeakPolarHBondContact OD1-CB 2.92Å; D636-S638 PolarHBondContact OD1-N 2.87Å; D636-S638 PolarHBondContact OD1-OG 2.79Å; D636-S638 VanDerWaalsContact OD2-CB 3.28Å; D636-S638 WeakPolarHBondContact OD2-CB 3.38Å; D636-S638 PolarHBondContact OD2-OG 3.48Å
637	G	89.6	Confident	82.3	Confident	5 Å²	5	59.7 Å²	59.7	5%	0.052	32%	0.324	C	S	.	.	S	Bend	trans	68.6	24.9	-173.8	0	0	0	0	0	113.8	K509 H634 S635	K509-G637 WeakPolarHBondContact CD-O 3.45Å; K509-G637 WeakPolarHBondContact CE-O 3.43Å; K509-G637 VanDerWaalsContact NZ-C 3.29Å; K509-G637 PolarHBondContact NZ-O 3.41Å; H634-G637 WeakPolarHBondContact O-CA 3.39Å; H634-G637 PolarHBondContact O-N 3.14Å; S635-G637 VanDerWaalsContact C-N 3.26Å
638	S	93	Very high	79.8	Confident	43 Å²	43	57 Å²	57	30%	0.301	32%	0.317	S	S	.	.			trans	-81.4	178.9	158.1	70.4	0	0	0	0	110.5	F633 H634 D636	F633-S638 WeakPolarHBondContact CA-O 3.19Å; H634-S638 PolarHBondContact N-O 2.99Å; D636-S638 VanDerWaalsContact C-N 3.31Å; D636-S638 PolarHBondContact O-N 2.72Å; D636-S638 VanDerWaalsContact OD1-CB 3.26Å; D636-S638 WeakPolarHBondContact OD1-CB 2.92Å; D636-S638 PolarHBondContact OD1-N 2.87Å; D636-S638 PolarHBondContact OD1-OG 2.79Å; D636-S638 VanDerWaalsContact OD2-CB 3.28Å; D636-S638 WeakPolarHBondContact OD2-CB 3.38Å; D636-S638 PolarHBondContact OD2-OG 3.48Å
639	W	94.5	Very high	77.1	Confident	54 Å²	54	62 Å²	62	21%	0.205	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.9	175.8	64.5	-87.8	0	0	0	112.2	I619 S622 R624 L628 I631 I632 F633	I619-W639 HydrophobicContact CD1-CG 4.34Å; I619-W639 HydrophobicContact CG1-CD2 4.45Å; I619-W639 HydrophobicContact CG1-CZ2 4.31Å; I619-W639 HydrophobicContact CG2-CH2 4.48Å; I619-W639 HydrophobicContact CG2-CZ2 4.3Å; S622-W639 WeakPolarHBondContact OG-CH2 3.21Å; S622-W639 WeakPolarHBondContact OG-CZ2 3.01Å; R624-W639 HydrophobicContact CB-CH2 3.94Å; R624-W639 HydrophobicContact CG-CH2 4.01Å; R624-W639 HydrophobicContact CG-CZ3 4.25Å; L628-W639 HydrophobicContact CD1-CZ3 4.27Å; I631-W639 HydrophobicContact CB-CE3 4.17Å; I631-W639 HydrophobicContact CD1-CB 4.2Å; I631-W639 HydrophobicContact CD1-CD2 4.46Å; I631-W639 HydrophobicContact CD1-CE3 4.45Å; I631-W639 HydrophobicContact CD1-CG 4.37Å; I631-W639 HydrophobicContact CG2-CE3 3.68Å; I631-W639 HydrophobicContact CG2-CZ3 3.82Å; I632-W639 CarbonylContact O-C 3.46Å; I632-W639 WeakPolarHBondContact O-CA 3.48Å; I632-W639 WeakPolarHBondContact O-CB 3.45Å; F633-W639 HydrophobicContact CD1-CB 3.92Å; F633-W639 HydrophobicContact CE1-CB 4.22Å
640	S	93.1	Very high	74.4	Confident	10 Å²	10	65 Å²	65	7%	0.07	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	166.9	175.1	55.8	0	0	0	0	111.5	I631 I632 H634 E644	I631-S640 WeakPolarHBondContact CA-O 3.31Å; I632-S640 PolarHBondContact N-O 2.76Å; I632-S640 PolarHBondContact O-N 2.75Å; H634-S640 PolarHBondContact NE2-OG 3.19Å; S640-E644 WeakPolarHBondContact CB-OE2 3.28Å
641	A	88.9	Confident	71.7	Confident	10 Å²	10	68 Å²	68	8%	0.083	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	155.1	167	0	0	0	0	0	111.1	L628 G643 E644	L628-A641 HydrophobicContact CD1-CB 3.53Å; L628-A641 HydrophobicContact CD2-CB 3.8Å; L628-A641 HydrophobicContact CG-CB 4.34Å; A641-G643 PolarHBondContact O-N 3.36Å; A641-G643 VanDerWaalsContact O-N 3.15Å; A641-E644 HydrophobicContact CB-CG 3.97Å; A641-E644 WeakPolarHBondContact CB-OE2 3.43Å; A641-E644 PolarHBondContact N-OE2 2.95Å; A641-E644 PolarHBondContact O-N 3.27Å
642	L	75.5	Confident	69	Low	92 Å²	92	77.6 Å²	77.6	48%	0.482	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	116.3	171.9	-80.6	161.3	0	0	0	111	E630 I632	E630-L642 HydrophobicContact CB-CD1 3.9Å; E630-L642 HydrophobicContact CG-CD1 3.91Å; I632-L642 HydrophobicContact CD1-CD2 3.73Å; I632-L642 HydrophobicContact CD1-CG 4.39Å; I632-L642 HydrophobicContact CG1-CD2 4.17Å; I632-L642 HydrophobicContact CG1-CG 4.48Å
643	G	67.6	Low	66.2	Low	34 Å²	34	84.1 Å²	84.1	35%	0.351	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	4.4	176.1	0	0	0	0	0	116.5	A641 E645 Y1162	A641-G643 PolarHBondContact O-N 3.36Å; A641-G643 VanDerWaalsContact O-N 3.15Å; G643-E645 VanDerWaalsContact C-N 3.35Å; G643-Y1162 WeakPolarHBondContact CA-OH 3.43Å
644	E	66.8	Low	63.7	Low	83 Å²	83	90.4 Å²	90.4	39%	0.388	50%	0.503	S	S	.	.			trans	-77.5	-16.8	174.3	-70.9	179.9	130.7	0	0	113.8	R624 S640 A641 M646	R624-E644 IonicContact CZ-OE1 3.21Å; R624-E644 IonicContact CZ-OE2 3.51Å; R624-E644 IonicContact NE-OE1 3.57Å; R624-E644 PolarHBondContact NE-OE1 3.21Å; R624-E644 IonicContact NE-OE2 2.64Å; R624-E644 PolarHBondContact NE-OE2 3.22Å; R624-E644 IonicContact NH2-OE1 3.94Å; R624-E644 PolarHBondContact NH2-OE1 3.44Å; R624-E644 IonicContact NH2-OE2 2.67Å; R624-E644 PolarHBondContact NH2-OE2 2.76Å; S640-E644 WeakPolarHBondContact CB-OE2 3.28Å; A641-E644 HydrophobicContact CB-CG 3.97Å; A641-E644 WeakPolarHBondContact CB-OE2 3.43Å; A641-E644 PolarHBondContact N-OE2 2.95Å; A641-E644 PolarHBondContact O-N 3.27Å; E644-M646 PolarHBondContact O-N 2.87Å; E644-M646 VanDerWaalsContact O-N 3.1Å
645	E	51.3	Low	61.1	Low	117 Å²	117	96.1 Å²	96.1	55%	0.547	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	66.3	-175.9	-63.7	-168.2	111	0	0	113.4	H634 G643	H634-E645 VanDerWaalsContact CE1-CD 3.49Å; H634-E645 IonicContact CE1-OE1 3.36Å; H634-E645 PolarHBondContact CE1-OE1 3.17Å; H634-E645 IonicContact CE1-OE2 2.88Å; H634-E645 IonicContact ND1-OE1 2.68Å; H634-E645 IonicContact NE2-OE1 3.21Å; G643-E645 VanDerWaalsContact C-N 3.35Å
646	M	40.2	Very low	58.6	Low	98 Å²	98	97.9 Å²	97.9	48%	0.483	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.4	3.4	172.2	-129.9	155.1	-81.8	0	0	117.9	E644 Y1161 Y1162	E644-M646 PolarHBondContact O-N 2.87Å; E644-M646 VanDerWaalsContact O-N 3.1Å; M646-Y1161 HydrophobicContact CE-CD1 4.01Å; M646-Y1161 HydrophobicContact CE-CE1 3.65Å; M646-Y1161 HydrophobicContact CG-CE1 4.27Å; M646-Y1161 HydrophobicContact SD-CD1 3.56Å; M646-Y1161 VanDerWaalsContact SD-CD1 3.56Å; M646-Y1161 HydrophobicContact SD-CE1 3.52Å; M646-Y1161 VanDerWaalsContact SD-CE1 3.52Å; M646-Y1162 HydrophobicContact CE-CD2 3.98Å
647	T	34.5	Very low	56.2	Low	138 Å²	138	100.6 Å²	100.6	85%	0.847	56%	0.561	S	S	*	*	S	Bend	trans	-128.4	57.6	-174.3	61.7	0	0	0	0	114.5
648	S	38.7	Very low	53.9	Low	99 Å²	99	106.8 Å²	106.8	69%	0.692	59%	0.592	S	S	*	*	S	Bend	trans	-146.3	156	156.3	57.5	0	0	0	0	109.2
649	N	35.6	Very low	51.5	Low	149 Å²	149	110.4 Å²	110.4	80%	0.797	61%	0.608	S	S	*	*	S	Bend	trans	69.9	55.2	-178	-48.9	-33.7	0	0	0	117.1
650	Q	38.4	Very low	49.1	Very low	194 Å²	194	113.4 Å²	113.4	91%	0.907	63%	0.628	S	S	*	*			trans	-169.7	85.4	152.5	-114	167.3	107.5	0	0	113.8
651	S	37.5	Very low	46.7	Very low	116 Å²	116	120.1 Å²	120.1	81%	0.811	66%	0.663	S	S	*	*			trans	164.8	89.5	144.1	59.9	0	0	0	0	113.1
652	E	39	Very low	44.3	Very low	201 Å²	201	123.4 Å²	123.4	94%	0.939	69%	0.691	S	S	*	*			trans	-170.2	90.1	148.1	-115.5	170.8	-139.9	0	0	109.1
653	N	37.4	Very low	42.8	Very low	160 Å²	160	126.1 Å²	126.1	86%	0.856	71%	0.706	S	S	*	*			trans	-154.6	68.1	177.9	-161.8	5.4	0	0	0	111.1
654	T	42.3	Very low	41.6	Very low	132 Å²	132	130.9 Å²	130.9	81%	0.81	72%	0.723	S	S	*	*			trans	-146.8	125.6	176.7	23.2	0	0	0	0	111.9
655	N	39.1	Very low	40.6	Very low	144 Å²	144	131 Å²	131	77%	0.77	73%	0.733	S	S	*	*			trans	55.6	84.7	159	-72.4	11.5	0	0	0	120.6
656	C	37.7	Very low	40.1	Very low	94 Å²	94	132.2 Å²	132.2	64%	0.635	74%	0.743	S	S	*	*				41.1	129	112.5	71.7	0	0	0	0	122.2
657	N	39.8	Very low	40	Very low	140 Å²	140	132.7 Å²	132.7	75%	0.749	76%	0.756	S	S	*	*			trans	74.6	124.6	139.3	-60.6	2.4	0	0	0	120.4
658	N	40	Very low	40.2	Very low	135 Å²	135	135.9 Å²	135.9	72%	0.722	76%	0.758	S	S	*	*			trans	71.3	139.4	150.9	-70	42.3	0	0	0	117
659	D	42.6	Very low	40.3	Very low	118 Å²	118	138.4 Å²	138.4	63%	0.631	76%	0.762	S	S	*	*			cis	-146.8	148.9	10.3	-106.3	-42.5	0	0	0	113.5
660	N	45.5	Very low	40.3	Very low	117 Å²	117	137 Å²	137	63%	0.626	76%	0.762	S	S	*	*			trans	43.8	121.3	144.9	-58.6	-50.2	0	0	0	122.9
661	N	42.9	Very low	40.1	Very low	151 Å²	151	131.9 Å²	131.9	81%	0.807	75%	0.747	S	S	*	*			trans	65.8	152.6	130.1	-62.1	-26.3	0	0	0	121.2
662	A	38.5	Very low	39.9	Very low	79 Å²	79	134.9 Å²	134.9	65%	0.653	75%	0.748	S	S	*	*			cis	-170.3	127.3	-26.2	0	0	0	0	0	109.6
663	D	44.4	Very low	39.7	Very low	150 Å²	150	133.3 Å²	133.3	80%	0.802	75%	0.745	S	S	*	*			trans	-169.1	129.9	150	-101.7	-36	0	0	0	107.1
664	N	41.4	Very low	39.6	Very low	134 Å²	134	131 Å²	131	72%	0.717	74%	0.742	S	S	*	*				85.9	113.9	53.9	-175.8	12.3	0	0	0	111.3
665	S	46.4	Very low	39.4	Very low	85 Å²	85	129.8 Å²	129.8	59%	0.594	74%	0.737	S	S	*	*			cis	-161.8	170.8	-5.6	45.1	0	0	0	0	112.5
666	N	40.9	Very low	38.8	Very low	142 Å²	142	128.5 Å²	128.5	76%	0.759	74%	0.738	S	S	*	*			trans	45.6	98.6	156.1	-56.7	-19.7	0	0	0	118.4
667	S	36.5	Very low	38.7	Very low	108 Å²	108	130.2 Å²	130.2	76%	0.755	75%	0.745	S	S	*	*				64.8	101	58.8	90.1	0	0	0	0	116.4
668	K	39.7	Very low	38.2	Very low	206 Å²	206	129.7 Å²	129.7	90%	0.896	74%	0.742	S	S	*	*			trans	-155.8	109.5	139.9	-149.9	171.1	-173.4	178.7	0	112.2
669	I	39.7	Very low	37.8	Very low	151 Å²	151	133.2 Å²	133.2	77%	0.774	75%	0.747	S	S	*	*			trans	-86.7	154.6	166.2	-26.7	-179.5	0	0	0	107.4
670	P	37.1	Very low	37.2	Very low	120 Å²	120	134.4 Å²	134.4	78%	0.779	75%	0.754	S	S	*	*				-144.8	145	93.4	34.4	-16.3	0	0	0	116.7
671	S	34.2	Very low	36.7	Very low	87 Å²	87	136.4 Å²	136.4	61%	0.608	76%	0.759	S	S	*	*			trans	-26.4	140.7	155.9	50.5	0	0	0	0	120.7
672	E	32.1	Very low	36.1	Very low	178 Å²	178	136.1 Å²	136.1	83%	0.832	76%	0.757	S	S	*	*				73.3	160.3	129	-69.9	-169.7	110.7	0	0	124
673	L	36.4	Very low	35.8	Very low	168 Å²	168	143.6 Å²	143.6	88%	0.88	77%	0.77	S	S	*	*			trans	89.1	139.8	166.4	-66.7	158.1	0	0	0	119
674	S	34.9	Very low	35	Very low	111 Å²	111	140.8 Å²	140.8	78%	0.776	76%	0.762	S	S	*	*			trans	-106.1	-164.8	-168.9	-36.6	0	0	0	0	110.4
675	P	37	Very low	34.5	Very low	108 Å²	108	142.2 Å²	142.2	70%	0.701	77%	0.768	S	S	*	*			cis	-135.6	-170.5	-7.7	35.5	-13.5	0	0	0	114.9
676	C	27.3	Very low	33.7	Very low	117 Å²	117	146.5 Å²	146.5	79%	0.791	78%	0.779	S	S	*	*			trans	54.1	117.3	156.3	67	0	0	0	0	121.2
677	T	34.5	Very low	33.1	Very low	130 Å²	130	147.2 Å²	147.2	80%	0.798	78%	0.778	S	S	*	*			trans	-135	140.8	156.8	-49.3	0	0	0	0	109.9
678	D	29.5	Very low	32.9	Very low	129 Å²	129	147 Å²	147	69%	0.69	78%	0.777	S	S	*	*			trans	-62.7	136.2	176.9	-175.4	0.6	0	0	0	111.9	N680	D678-N680 PolarHBondContact OD1-N 3.09Å; D678-N680 VanDerWaalsContact OD1-N 3.09Å; D678-N680 PolarHBondContact OD1-ND2 3.27Å
679	Y	32.4	Very low	32.4	Very low	208 Å²	208	143 Å²	143	82%	0.816	77%	0.772	S	S	*	*			trans	-122.1	29.1	-177.5	-117.1	-79.2	0	0	0	114.3	Q681	Y679-Q681 PolarHBondContact O-N 3.21Å; Y679-Q681 VanDerWaalsContact O-N 3.09Å
680	N	30.7	Very low	32.1	Very low	144 Å²	144	146.1 Å²	146.1	77%	0.77	78%	0.775	S	S	*	*			trans	-79.2	67.3	162	-80	-73.3	0	0	0	112.3	D678	D678-N680 PolarHBondContact OD1-N 3.09Å; D678-N680 VanDerWaalsContact OD1-N 3.09Å; D678-N680 PolarHBondContact OD1-ND2 3.27Å
681	Q	34	Very low	31.7	Very low	158 Å²	158	144.2 Å²	144.2	74%	0.738	77%	0.77	S	S	*	*	S	Bend	trans	-158.2	134.6	164.3	-114.8	160.7	110.3	0	0	113.3	Y679	Y679-Q681 PolarHBondContact O-N 3.21Å; Y679-Q681 VanDerWaalsContact O-N 3.09Å
682	L	29.6	Very low	31.6	Very low	146 Å²	146	144.6 Å²	144.6	76%	0.764	77%	0.772	S	S	*	*			trans	60.8	72.6	158.6	-56.9	172.9	0	0	0	117.8
683	Y	32.6	Very low	31.4	Very low	236 Å²	236	141 Å²	141	93%	0.925	77%	0.767	S	S	*	*			trans	-82.2	103.2	137	-103.7	-81.7	0	0	0	108.7
684	S	28.4	Very low	31.2	Very low	91 Å²	91	140.7 Å²	140.7	64%	0.636	76%	0.76	S	S	*	*			trans	-157.2	129.9	170.8	-76.9	0	0	0	0	107.9
685	L	31.8	Very low	31.1	Very low	163 Å²	163	142.5 Å²	142.5	85%	0.853	76%	0.76	S	S	*	*			trans	67.1	142.7	-160.5	-41	176.5	0	0	0	111.2
686	Q	29.2	Very low	30.7	Very low	176 Å²	176	143.7 Å²	143.7	82%	0.822	77%	0.765	S	S	*	*			cis	-142.6	119.2	10.2	-168.8	168.7	-8.9	0	0	109.8	S688	Q686-S688 PolarHBondContact O-N 3.08Å
687	E	28.8	Very low	31.1	Very low	157 Å²	157	142.3 Å²	142.3	73%	0.734	76%	0.757	S	S	*	*			trans	-69.2	96.7	171.2	-68.1	178.8	110.6	0	0	108.5	T54 P689	T54-E687 PolarHBondContact OG1-OE2 2.82Å; E687-P689 WeakPolarHBondContact O-CD 3.33Å
688	S	30.9	Very low	31.2	Very low	104 Å²	104	142.4 Å²	142.4	73%	0.727	75%	0.753	S	S	*	*			trans	-71.4	122.4	168.6	52.7	0	0	0	0	108.5	Q686 Y690	Q686-S688 PolarHBondContact O-N 3.08Å; S688-Y690 PolarHBondContact O-N 3.1Å
689	P	29.7	Very low	31.2	Very low	122 Å²	122	142.4 Å²	142.4	79%	0.792	76%	0.763	S	S	*	*			trans	-68.9	111.1	178.5	27.2	-32.8	0	0	0	108.7	E687 A691	E687-P689 WeakPolarHBondContact O-CD 3.33Å; P689-A691 PolarHBondContact O-N 3.36Å
690	Y	32.6	Very low	31.5	Very low	216 Å²	216	138.6 Å²	138.6	85%	0.847	76%	0.755	S	S	*	*			trans	-72.6	77.5	163.8	-160.9	-87.7	0	0	0	108.2	S688 S692	S688-Y690 PolarHBondContact O-N 3.1Å; Y690-S692 PolarHBondContact O-N 2.81Å
691	A	29.9	Very low	31.7	Very low	80 Å²	80	143 Å²	143	66%	0.661	76%	0.761	S	S	*	*			trans	-60.3	120.2	176.1	0	0	0	0	0	108.7	P689 S693	P689-A691 PolarHBondContact O-N 3.36Å; A691-S693 PolarHBondContact O-N 3.22Å
692	S	30.6	Very low	31.4	Very low	94 Å²	94	141 Å²	141	66%	0.657	76%	0.764	S	S	*	*			trans	-53.6	114.7	171.3	-64.1	0	0	0	0	109	Y690 H694	Y690-S692 PolarHBondContact O-N 2.81Å; S692-H694 PolarHBondContact O-N 2.66Å
693	S	29.4	Very low	31.6	Very low	103 Å²	103	140.1 Å²	140.1	72%	0.72	77%	0.765	S	S	*	*			trans	-73.8	69.5	-176.3	58.8	0	0	0	0	111.3	A691 I695	A691-S693 PolarHBondContact O-N 3.22Å; S693-I695 PolarHBondContact O-N 3.11Å
694	H	32	Very low	31.5	Very low	161 Å²	161	134.1 Å²	134.1	75%	0.745	75%	0.753	S	S	*	*			trans	-64.8	111.4	163.8	-81.8	-77.1	0	0	0	108.5	S692 T696	S692-H694 PolarHBondContact O-N 2.66Å; H694-T696 PolarHBondContact O-N 2.66Å
695	I	31.7	Very low	31.6	Very low	149 Å²	149	136.7 Å²	136.7	76%	0.764	76%	0.76	S	S	*	*			trans	-70.5	92.6	177.5	-60.2	173.2	0	0	0	108.6	S693 S697	S693-I695 PolarHBondContact O-N 3.11Å; I695-S697 VanDerWaalsContact CG2-OG 3.31Å; I695-S697 WeakPolarHBondContact CG2-OG 3.46Å; I695-S697 PolarHBondContact O-N 2.57Å
696	T	28.4	Very low	31.7	Very low	134 Å²	134	134.5 Å²	134.5	82%	0.822	76%	0.758	S	S	*	*			trans	-89.2	83.5	167.3	52.6	0	0	0	0	109.5	H694 N698	H694-T696 PolarHBondContact O-N 2.66Å; T696-N698 PolarHBondContact O-N 2.83Å
697	S	37.2	Very low	31.8	Very low	87 Å²	87	131.3 Å²	131.3	61%	0.608	76%	0.762	S	S	*	*			trans	-81.3	117.8	176.6	-67.8	0	0	0	0	112.4	I695	I695-S697 VanDerWaalsContact CG2-OG 3.31Å; I695-S697 WeakPolarHBondContact CG2-OG 3.46Å; I695-S697 PolarHBondContact O-N 2.57Å
698	N	35.3	Very low	32	Very low	133 Å²	133	127.6 Å²	127.6	71%	0.711	77%	0.766	S	S	*	*			trans	62.1	95.6	145.8	-57.7	-8.5	0	0	0	118.4	T696 I700	T696-N698 PolarHBondContact O-N 2.83Å; N698-I700 HydrophobicContact CB-CD1 4.24Å; N698-I700 HydrophobicContact CB-CG1 4.24Å; N698-I700 PolarHBondContact O-N 2.83Å
699	S	30.5	Very low	32	Very low	129 Å²	129	128.2 Å²	128.2	90%	0.902	77%	0.77	S	S	*	*			trans	-72	115.6	148.2	179.6	0	0	0	0	109.4
700	I	38.5	Very low	32.2	Very low	128 Å²	128	127.4 Å²	127.4	66%	0.656	77%	0.768	S	S	*	*			trans	-136.2	113.2	172.1	-63.3	-179.8	0	0	0	109.8	N698	N698-I700 HydrophobicContact CB-CD1 4.24Å; N698-I700 HydrophobicContact CB-CG1 4.24Å; N698-I700 PolarHBondContact O-N 2.83Å
701	R	34	Very low	32.1	Very low	235 Å²	235	121.9 Å²	121.9	89%	0.887	76%	0.76	S	S	*	*			trans	55.9	118.5	158.6	-65.5	-179.5	173.7	-159.5	-3.5	119.3
702	S	29.5	Very low	32.2	Very low	116 Å²	116	127.9 Å²	127.9	81%	0.811	77%	0.772	S	S	*	*			trans	-62.6	142.8	154.1	-14.5	0	0	0	0	112
703	T	33.5	Very low	32.4	Very low	128 Å²	128	129.2 Å²	129.2	79%	0.785	78%	0.776	S	S	*	*			trans	-166.9	121.7	133.9	27.9	0	0	0	0	110.9
704	T	30.6	Very low	32.5	Very low	110 Å²	110	130 Å²	130	68%	0.675	78%	0.778	S	S	*	*			trans	43.8	114.7	142.7	57.9	0	0	0	0	121.8
705	D	29	Very low	32.4	Very low	146 Å²	146	126.3 Å²	126.3	78%	0.781	77%	0.771	S	S	*	*				81.4	151.1	123	-53.8	-15.1	0	0	0	123.2
706	S	33.7	Very low	32.2	Very low	116 Å²	116	128.3 Å²	128.3	81%	0.811	77%	0.774	S	S	*	*			trans	76.9	85.9	158.3	-57.9	0	0	0	0	120.1
707	A	32	Very low	32.3	Very low	109 Å²	109	129.5 Å²	129.5	90%	0.901	78%	0.776	S	S	*	*				34	122.2	124.9	0	0	0	0	0	120.7
708	G	32.4	Very low	31.9	Very low	79 Å²	79	131 Å²	131	81%	0.814	78%	0.781	S	S	*	*			trans	-167.7	110	166.4	0	0	0	0	0	113.2
709	S	32.1	Very low	31.5	Very low	118 Å²	118	132.8 Å²	132.8	83%	0.825	79%	0.79	S	S	*	*			trans	-75.3	179.1	-178.4	-57	0	0	0	0	114.3
710	S	33.8	Very low	31.4	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	78%	0.782	S	S	*	*			trans	74.4	114.5	176.7	71.6	0	0	0	0	114.7
711	S	29.7	Very low	31.4	Very low	99 Å²	99	131.5 Å²	131.5	69%	0.692	79%	0.789	S	S	*	*			cis	76.7	107.6	47.2	81.7	0	0	0	0	114.4
712	F	32.6	Very low	31.3	Very low	207 Å²	207	124.3 Å²	124.3	91%	0.908	78%	0.78	S	S	*	*			trans	-158.8	141.7	138.8	-95	-63.6	0	0	0	110.8
713	V	34	Very low	31.4	Very low	121 Å²	121	123.9 Å²	123.9	73%	0.733	78%	0.777	S	S	*	*			trans	-125.1	139.9	169.4	-150.2	0	0	0	0	106.4
714	P	32.5	Very low	31.5	Very low	119 Å²	119	122.7 Å²	122.7	77%	0.773	77%	0.774	S	S	*	*				-135.5	147.5	108.2	13.9	8	0	0	0	111.6
715	S	29.4	Very low	31.5	Very low	85 Å²	85	124 Å²	124	59%	0.594	78%	0.775	S	S	*	*			cis	94.1	110.3	42	-64.1	0	0	0	0	114.1
716	F	27.2	Very low	31.6	Very low	190 Å²	190	123.9 Å²	123.9	83%	0.833	78%	0.775	S	S	*	*			trans	16.3	133.2	147.1	-48.1	-86.4	0	0	0	120.1
717	N	30.2	Very low	31.5	Very low	160 Å²	160	122.7 Å²	122.7	86%	0.856	77%	0.767	S	S	*	*				-171.3	144.6	102.5	-94	-33.1	0	0	0	116.3
718	T	28.7	Very low	31.6	Very low	117 Å²	117	124.6 Å²	124.6	72%	0.718	76%	0.761	S	S	*	*			trans	-53.9	151.6	166	46.9	0	0	0	0	116
719	L	28.4	Very low	31.7	Very low	171 Å²	171	125.1 Å²	125.1	90%	0.895	75%	0.752	S	S	*	*				-179.3	171.3	124.7	-97.4	161.7	0	0	0	113.3
720	S	28.7	Very low	31.6	Very low	107 Å²	107	126.1 Å²	126.1	75%	0.748	75%	0.748	S	S	*	*			trans	-132.5	-172.9	-179	-53.8	0	0	0	0	109.4
721	P	38.5	Very low	31.6	Very low	123 Å²	123	125.7 Å²	125.7	80%	0.799	74%	0.742	S	S	*	*				-126.9	-169.2	-60.6	37.3	-20.8	0	0	0	113.2
722	A	30.2	Very low	31.7	Very low	85 Å²	85	127 Å²	127	70%	0.702	74%	0.74	S	S	*	*			trans	99.5	113.5	147.1	0	0	0	0	0	123
723	S	32.7	Very low	31.7	Very low	106 Å²	106	123.1 Å²	123.1	74%	0.741	73%	0.729	S	S	*	*				70.5	134.2	128.9	64.4	0	0	0	0	125.3
724	S	34.7	Very low	31.7	Very low	103 Å²	103	121.6 Å²	121.6	72%	0.72	72%	0.724	S	S	*	*			trans	71.9	159.1	147.9	64.7	0	0	0	0	119
725	I	32.3	Very low	31.9	Very low	137 Å²	137	126.2 Å²	126.2	70%	0.703	73%	0.728	S	S	*	*			cis	-152.8	165.2	22.2	-12.4	175.8	0	0	0	113.2
726	N	30	Very low	32.3	Very low	144 Å²	144	126.9 Å²	126.9	77%	0.77	73%	0.73	S	S	*	*			trans	69.8	144.7	146.5	-79.1	0.2	0	0	0	120.1
727	S	31.4	Very low	32.6	Very low	92 Å²	92	125 Å²	125	64%	0.643	73%	0.728	S	S	*	*			cis	-152.2	179	-4.4	-71.6	0	0	0	0	108.4
728	L	34.2	Very low	32.8	Very low	148 Å²	148	124 Å²	124	78%	0.775	73%	0.729	S	S	*	*			cis	-162.4	148.8	20.2	-161.9	75.1	0	0	0	110.4
729	S	34.4	Very low	33	Very low	90 Å²	90	126.6 Å²	126.6	63%	0.629	74%	0.737	S	S	*	*			trans	44.3	138.3	149.5	60.9	0	0	0	0	122.3
730	N	30.9	Very low	33.2	Very low	140 Å²	140	122.7 Å²	122.7	75%	0.749	72%	0.724	S	S	*	*			cis	-166.2	147.9	-2.3	-127.1	16.8	0	0	0	113
731	T	32.3	Very low	33.5	Very low	96 Å²	96	125 Å²	125	59%	0.589	73%	0.725	S	S	*	*			trans	29.6	142.4	137.5	60.5	0	0	0	0	121.9
732	N	32.9	Very low	33.4	Very low	125 Å²	125	123.8 Å²	123.8	67%	0.668	72%	0.72	S	S	*	*			cis	-169.6	146.7	7	-108.6	-13.4	0	0	0	111.9
733	N	32.5	Very low	33.9	Very low	127 Å²	127	124.9 Å²	124.9	68%	0.679	72%	0.719	S	S	*	*			trans	46.1	155.1	137.1	-47.4	-27.1	0	0	0	121.4
734	S	33.1	Very low	33.9	Very low	89 Å²	89	124.5 Å²	124.5	62%	0.622	72%	0.723	S	S	*	*			cis	-164.6	141	22.6	-17.9	0	0	0	0	114.7
735	Y	38	Very low	34.1	Very low	215 Å²	215	125.6 Å²	125.6	84%	0.843	72%	0.72	S	S	*	*			trans	64.6	161.7	145.7	-53.3	-46.2	0	0	0	121.2
736	P	37.7	Very low	34.1	Very low	100 Å²	100	125.4 Å²	125.4	65%	0.649	73%	0.725	S	S	*	*			cis	-138.9	-173.3	-49.6	40.7	-24.8	0	0	0	114.4
737	N	32.3	Very low	34.3	Very low	149 Å²	149	124.4 Å²	124.4	80%	0.797	72%	0.724	S	S	*	*			trans	90.8	81.2	161	-56.5	-22.4	0	0	0	119.8
738	T	34.4	Very low	34.3	Very low	140 Å²	140	130.7 Å²	130.7	86%	0.859	73%	0.734	S	S	*	*			trans	-133.4	134.1	144.9	52.1	0	0	0	0	110.3	S740	T738-S740 PolarHBondContact O-N 2.85Å
739	L	33.3	Very low	34.1	Very low	172 Å²	172	127.3 Å²	127.3	90%	0.901	73%	0.727	S	S	*	*			trans	-90.8	85.2	-178.3	-83.2	170.3	0	0	0	111.2
740	S	32.5	Very low	34	Very low	88 Å²	88	128.5 Å²	128.5	62%	0.615	73%	0.73	S	S	*	*			trans	-64.8	132.4	172.7	-178.7	0	0	0	0	112	T738 S742	T738-S740 PolarHBondContact O-N 2.85Å; S740-S742 PolarHBondContact OG-OG 2.82Å
741	M	34.5	Very low	34	Very low	156 Å²	156	127.5 Å²	127.5	77%	0.768	73%	0.729	S	S	*	*			trans	-127.1	61.7	175.9	-81.4	-76.7	101.1	0	0	111.2	P743	M741-P743 WeakPolarHBondContact O-CD 3.48Å
742	S	37	Very low	33.9	Very low	98 Å²	98	128.6 Å²	128.6	69%	0.685	74%	0.736	S	S	*	*			trans	-87.1	108.5	173.7	-52	0	0	0	0	112.4	S740 A744	S740-S742 PolarHBondContact OG-OG 2.82Å; S742-A744 PolarHBondContact O-N 3.22Å
743	P	41.4	Very low	33.8	Very low	108 Å²	108	127.6 Å²	127.6	70%	0.701	74%	0.735	S	S	*	*			trans	-81.2	94.4	158.8	32.7	-31.2	0	0	0	108.6	M741 L745	M741-P743 WeakPolarHBondContact O-CD 3.48Å; P743-L745 VanDerWaalsContact C-N 3.35Å; P743-L745 PolarHBondContact O-N 2.92Å
744	A	32.2	Very low	33.5	Very low	98 Å²	98	126.8 Å²	126.8	81%	0.81	74%	0.736	S	S	*	*			trans	-66.1	91.8	174.9	0	0	0	0	0	110.6	S742	S742-A744 PolarHBondContact O-N 3.22Å
745	L	38.1	Very low	33.4	Very low	125 Å²	125	130.3 Å²	130.3	65%	0.654	75%	0.747	S	S	*	*			trans	-111.5	97.8	170.8	-72.7	179.3	0	0	0	109	P743 V747	P743-L745 VanDerWaalsContact C-N 3.35Å; P743-L745 PolarHBondContact O-N 2.92Å; L745-V747 PolarHBondContact O-N 2.76Å
746	T	34	Very low	33	Very low	134 Å²	134	127.1 Å²	127.1	82%	0.822	74%	0.743	S	S	*	*			trans	-50.7	108.6	168.5	-54.2	0	0	0	0	109.3	R748	T746-R748 PolarHBondContact O-N 3.13Å
747	V	33.8	Very low	32.5	Very low	123 Å²	123	133 Å²	133	75%	0.745	75%	0.753	S	S	*	*			trans	-70.3	89.8	170.4	179.2	0	0	0	0	106.8	L745 A749	L745-V747 PolarHBondContact O-N 2.76Å; V747-A749 PolarHBondContact O-N 2.97Å
748	R	31.6	Very low	32.4	Very low	224 Å²	224	131.5 Å²	131.5	85%	0.845	74%	0.744	S	S	*	*			trans	-70.3	90.9	170.5	-144	176.9	-170	175.9	2.1	106.5	T746 V750	T746-R748 PolarHBondContact O-N 3.13Å; R748-V750 VanDerWaalsContact C-N 3.31Å; R748-V750 PolarHBondContact O-N 2.84Å
749	A	30.3	Very low	32.2	Very low	77 Å²	77	131.1 Å²	131.1	64%	0.636	74%	0.737	S	S	*	*			trans	-61.2	96.5	169.8	0	0	0	0	0	107.6	V747 T751	V747-A749 PolarHBondContact O-N 2.97Å; A749-T751 PolarHBondContact O-N 2.74Å
750	V	31.7	Very low	32.1	Very low	115 Å²	115	128.6 Å²	128.6	70%	0.697	73%	0.729	S	S	*	*			trans	-80	84.1	172.5	-171.8	0	0	0	0	106.7	R748 T752	R748-V750 VanDerWaalsContact C-N 3.31Å; R748-V750 PolarHBondContact O-N 2.84Å; V750-T752 HydrophobicContact CG1-CG2 3.86Å; V750-T752 PolarHBondContact O-N 3.28Å
751	T	29.6	Very low	31.9	Very low	118 Å²	118	129.5 Å²	129.5	72%	0.724	73%	0.726	S	S	*	*			trans	-64.4	85.8	163.2	31.5	0	0	0	0	108.6	A749 T753	A749-T751 PolarHBondContact O-N 2.74Å; T751-T753 PolarHBondContact O-N 2.72Å
752	T	30.2	Very low	31.6	Very low	119 Å²	119	126.7 Å²	126.7	73%	0.73	72%	0.715	S	S	*	*			trans	-68.7	82	166.6	49.6	0	0	0	0	108.7	V750 P754	V750-T752 HydrophobicContact CG1-CG2 3.86Å; V750-T752 PolarHBondContact O-N 3.28Å; T752-P754 VanDerWaalsContact O-CD 3.3Å; T752-P754 WeakPolarHBondContact O-CD 3.38Å
753	T	32.1	Very low	31.3	Very low	105 Å²	105	128.2 Å²	128.2	64%	0.644	71%	0.714	S	S	*	*			trans	-64.9	117.4	171.7	40.7	0	0	0	0	109.5	T751 L755	T751-T753 PolarHBondContact O-N 2.72Å; T753-L755 PolarHBondContact O-N 2.79Å
754	P	26.8	Very low	30.7	Very low	110 Å²	110	129 Å²	129	71%	0.714	72%	0.722	S	S	*	*			trans	-80	87.6	175.2	32.4	-31.8	0	0	0	109	T752 I756	T752-P754 VanDerWaalsContact O-CD 3.3Å; T752-P754 WeakPolarHBondContact O-CD 3.38Å; P754-I756 PolarHBondContact O-N 2.95Å
755	L	31	Very low	30.9	Very low	162 Å²	162	130.2 Å²	130.2	85%	0.848	72%	0.719	S	S	*	*			trans	-74.6	81	169.9	-71.2	-179.7	0	0	0	110.1	T753	T753-L755 PolarHBondContact O-N 2.79Å
756	I	28.1	Very low	30.7	Very low	148 Å²	148	129.6 Å²	129.6	76%	0.759	72%	0.722	S	S	*	*			trans	-90.7	117.5	164.5	-61.5	172.6	0	0	0	107.7	P754	P754-I756 PolarHBondContact O-N 2.95Å
757	R	28.1	Very low	30.4	Very low	225 Å²	225	129.7 Å²	129.7	85%	0.849	72%	0.718	S	S	*	*			trans	146.7	139.9	163.4	-91.3	-177.2	167.5	178.9	-2.6	108.7
758	N	28.8	Very low	30.4	Very low	116 Å²	116	130 Å²	130	62%	0.62	72%	0.72	S	S	*	*			cis	-158.6	-172.8	-10	-141.3	46.1	0	0	0	109.3
759	D	31.7	Very low	30.2	Very low	133 Å²	133	124.8 Å²	124.8	71%	0.711	71%	0.713	S	S	*	*			trans	70.5	113.1	163.2	-44.8	-30	0	0	0	115.3
760	V	30.1	Very low	30.4	Very low	119 Å²	119	130.4 Å²	130.4	72%	0.721	72%	0.724	S	S	*	*			cis	112.6	126.9	26.6	169	0	0	0	0	110.5
761	D	28.9	Very low	30.3	Very low	106 Å²	106	130.7 Å²	130.7	57%	0.567	73%	0.725	S	S	*	*			trans	77.5	110.8	162.1	-73.2	4.5	0	0	0	123.9	F181	F181-D761 WeakPolarHBondContact CE2-OD1 3.44Å
762	N	27.2	Very low	30.5	Very low	98 Å²	98	131.3 Å²	131.3	52%	0.524	73%	0.729	S	S	.	*				84.1	96.2	123.5	-66.3	-39.2	0	0	0	123.4	F181	F181-N762 WeakPolarHBondContact CZ-OD1 3.45Å
763	I	31.8	Very low	30.5	Very low	130 Å²	130	130.1 Å²	130.1	67%	0.667	73%	0.726	S	S	*	*				49.5	123.1	114.6	-59.6	167.8	0	0	0	119
764	S	28.3	Very low	30.7	Very low	124 Å²	124	132.3 Å²	132.3	87%	0.867	74%	0.739	S	S	*	*			trans	-155.1	135.3	133.6	-84.4	0	0	0	0	112.3
765	V	36.8	Very low	30.9	Very low	123 Å²	123	133 Å²	133	75%	0.745	74%	0.741	S	S	*	*			trans	-112.1	158.1	168	-151.9	0	0	0	0	107.1
766	P	33.8	Very low	31.1	Very low	112 Å²	112	131 Å²	131	73%	0.727	74%	0.742	S	S	*	*				-151.6	149.6	104.4	36.3	-18.8	0	0	0	117.2
767	N	28.5	Very low	31.2	Very low	136 Å²	136	129.7 Å²	129.7	73%	0.727	74%	0.741	S	S	*	*			trans	11.9	137.4	135.5	-51.2	-24.4	0	0	0	118.3
768	T	32.4	Very low	31.4	Very low	129 Å²	129	126.2 Å²	126.2	79%	0.791	75%	0.745	S	S	*	*				-164	129.2	81.8	18.4	0	0	0	0	116.3
769	T	28.1	Very low	31.5	Very low	116 Å²	116	125.8 Å²	125.8	71%	0.712	75%	0.75	S	S	*	*			trans	3.4	135	144.6	59.3	0	0	0	0	120.8
770	K	34.1	Very low	31.6	Very low	195 Å²	195	126.4 Å²	126.4	85%	0.848	76%	0.759	S	S	*	*				-169.6	156.3	97.7	-101.7	169.6	-174.6	176.1	0	115.1
771	T	29.3	Very low	31.6	Very low	120 Å²	120	127.7 Å²	127.7	74%	0.736	76%	0.762	S	S	*	*			trans	-33.2	162.9	169.1	50.8	0	0	0	0	117.1
772	T	34.1	Very low	31.8	Very low	131 Å²	131	133.5 Å²	133.5	80%	0.804	78%	0.778	S	S	*	*			cis	-155.4	160.5	40.9	-44.2	0	0	0	0	114.1
773	S	31.5	Very low	31.9	Very low	95 Å²	95	137.7 Å²	137.7	66%	0.664	79%	0.794	S	S	*	*			trans	-92.5	158	-178.8	54.9	0	0	0	0	115.5
774	T	34.3	Very low	32	Very low	150 Å²	150	137.8 Å²	137.8	92%	0.92	80%	0.801	S	S	*	*			trans	-156.4	165.4	133.5	7.2	0	0	0	0	112.9
775	T	31.4	Very low	32	Very low	124 Å²	124	136.9 Å²	136.9	76%	0.761	80%	0.795	S	S	*	*			trans	-119.8	155.9	-160.3	-10.7	0	0	0	0	113.2
776	S	35.3	Very low	31.8	Very low	122 Å²	122	137.2 Å²	137.2	85%	0.853	80%	0.797	S	S	*	*			trans	-169.9	160.1	134.4	33.1	0	0	0	0	111.5
777	T	30.1	Very low	31.4	Very low	120 Å²	120	137.9 Å²	137.9	74%	0.736	80%	0.799	S	S	*	*			trans	-137.8	144.5	-166.2	50.8	0	0	0	0	111.9
778	T	33.9	Very low	31.6	Very low	152 Å²	152	137.6 Å²	137.6	93%	0.933	80%	0.802	S	S	*	*			trans	-154.5	157.4	141.5	-1	0	0	0	0	111.4
779	S	29.5	Very low	31.5	Very low	106 Å²	106	139.9 Å²	139.9	74%	0.741	80%	0.803	S	S	*	*			trans	-145.7	157.1	-174.5	54.2	0	0	0	0	110.8
780	T	34.1	Very low	31.4	Very low	147 Å²	147	139.5 Å²	139.5	90%	0.902	81%	0.806	S	S	*	*			trans	-156.4	144.1	160.7	4.4	0	0	0	0	110.3
781	N	29.2	Very low	31.2	Very low	145 Å²	145	135.3 Å²	135.3	78%	0.775	80%	0.801	S	S	*	*			trans	-100.6	159.1	-177.3	-68.7	-34.4	0	0	0	111.6
782	Y	34.5	Very low	31.3	Very low	229 Å²	229	139.8 Å²	139.8	90%	0.898	80%	0.804	S	S	*	*			trans	-128.2	118.6	146.3	-97.8	-84.3	0	0	0	110.1
783	Q	28.5	Very low	31.2	Very low	185 Å²	185	139.8 Å²	139.8	86%	0.864	80%	0.799	S	S	*	*			trans	-107.7	146.5	158.7	-81.5	-175.8	-25.2	0	0	107.7
784	T	33.6	Very low	31.2	Very low	132 Å²	132	144.7 Å²	144.7	81%	0.81	81%	0.808	S	S	*	*			trans	-140	122.7	156.6	-49.8	0	0	0	0	108.8
785	S	29	Very low	31	Very low	106 Å²	106	144.9 Å²	144.9	74%	0.741	80%	0.799	S	S	*	*			trans	-101.7	150.8	173.1	48.3	0	0	0	0	110.2
786	V	33.1	Very low	30.9	Very low	130 Å²	130	146.7 Å²	146.7	79%	0.788	80%	0.799	S	S	*	*			trans	-135.6	123.7	167.7	-177.9	0	0	0	0	108.7	V788	V786-V788 HydrophobicContact CG1-CG2 4.26Å
787	T	25.7	Very low	30.7	Very low	125 Å²	125	146.5 Å²	146.5	77%	0.767	79%	0.788	S	S	*	*			trans	-119.5	126.9	175	-57.7	0	0	0	0	107.9
788	V	31.9	Very low	30.6	Very low	130 Å²	130	148.7 Å²	148.7	79%	0.788	79%	0.79	S	S	*	*			trans	-133.7	142.1	169.1	-176.6	0	0	0	0	108.8	V786	V786-V788 HydrophobicContact CG1-CG2 4.26Å
789	Q	29.9	Very low	30.5	Very low	177 Å²	177	149.4 Å²	149.4	83%	0.827	78%	0.783	S	S	*	*			trans	-95.1	168.9	-167.3	-64.3	141.1	-58.7	0	0	113
790	S	27.4	Very low	30.4	Very low	109 Å²	109	150.8 Å²	150.8	76%	0.762	78%	0.78	S	S	*	*			trans	-83.2	144.1	171	51.7	0	0	0	0	112.3
791	S	29.9	Very low	30.3	Very low	106 Å²	106	149.1 Å²	149.1	74%	0.741	77%	0.774	S	S	*	*				172.6	137.6	117.7	44.7	0	0	0	0	115.7
792	R	30	Very low	30.3	Very low	215 Å²	215	151.5 Å²	151.5	81%	0.811	78%	0.781	S	S	*	*			trans	64.1	111.3	144.1	-68.9	-167.7	174.2	112.7	2.2	123.4
793	D	31.6	Very low	30.1	Very low	130 Å²	130	149.9 Å²	149.9	70%	0.695	78%	0.781	S	S	*	*				69	107.3	119.9	-44.3	-21.8	0	0	0	121.1
794	K	32.5	Very low	30.1	Very low	198 Å²	198	148.4 Å²	148.4	86%	0.861	78%	0.778	S	S	*	*				-168.6	162.9	101	-102.7	173.6	-179.4	-178.6	0	115.1
795	E	29.4	Very low	29.8	Very low	155 Å²	155	147.8 Å²	147.8	72%	0.724	78%	0.779	S	S	*	*			trans	-84.4	156.2	-162.7	-47.2	121.8	90.6	0	0	115.3
796	Q	29.2	Very low	29.8	Very low	161 Å²	161	147.2 Å²	147.2	75%	0.752	78%	0.775	S	S	*	*				177.2	144.6	102	-95.5	176.2	2.8	0	0	115.2
797	N	31.3	Very low	29.8	Very low	118 Å²	118	147.3 Å²	147.3	63%	0.631	77%	0.765	S	S	*	*			trans	57	110.1	154.3	-61.3	-19.3	0	0	0	120.1
798	Q	28.1	Very low	30.1	Very low	166 Å²	166	147.1 Å²	147.1	78%	0.776	76%	0.764	S	S	*	*				72.5	111.9	77.4	-72.9	-176.4	38.9	0	0	115.1
799	H	32.8	Very low	30.3	Very low	168 Å²	168	145 Å²	145	78%	0.778	75%	0.748	S	S	*	*				-170.2	170.4	99.6	-145.7	-108.9	0	0	0	113.7
800	I	27.8	Very low	30.3	Very low	134 Å²	134	142.2 Å²	142.2	69%	0.687	74%	0.738	S	S	*	*			trans	-73.9	141.5	-169.1	-69.8	152.6	0	0	0	115
801	S	30.9	Very low	30.5	Very low	112 Å²	112	143.3 Å²	143.3	78%	0.783	74%	0.735	S	S	*	*				-169.8	146.2	128.9	-82.1	0	0	0	0	113.1
802	Q	29.8	Very low	30.5	Very low	195 Å²	195	143.3 Å²	143.3	91%	0.911	73%	0.73	S	S	*	*			trans	-107.2	125.3	168.1	-60.9	173.8	-72	0	0	108.1
803	E	29.5	Very low	30.5	Very low	195 Å²	195	139.5 Å²	139.5	91%	0.911	73%	0.726	S	S	*	*			trans	-134.8	158.9	172.3	-77.1	-145.9	130.3	0	0	113.7
804	I	28.9	Very low	30.5	Very low	154 Å²	154	138.5 Å²	138.5	79%	0.79	73%	0.728	S	S	*	*			trans	-87	135.4	-171.6	-63.6	159.1	0	0	0	109	S806	I804-S806 VanDerWaalsContact C-N 3.3Å; I804-S806 PolarHBondContact O-N 2.97Å
805	S	28.2	Very low	30.6	Very low	120 Å²	120	135.3 Å²	135.3	84%	0.839	72%	0.721	S	S	*	*			trans	-72.9	82.9	177.1	-165.4	0	0	0	0	111.4
806	S	28	Very low	30.8	Very low	93 Å²	93	135.4 Å²	135.4	65%	0.65	73%	0.726	S	S	*	*			trans	-82.9	109.7	171.5	47.9	0	0	0	0	110	I804 T808	I804-S806 VanDerWaalsContact C-N 3.3Å; I804-S806 PolarHBondContact O-N 2.97Å; S806-T808 PolarHBondContact O-N 3.22Å; S806-T808 VanDerWaalsContact O-N 3.07Å
807	F	33.6	Very low	31.1	Very low	132 Å²	132	136.9 Å²	136.9	58%	0.579	73%	0.733	S	S	*	*			trans	-67.3	108.5	174.1	50.8	-85.5	0	0	0	109.8	P316	P316-F807 VanDerWaalsContact CD-CZ 3.44Å; P316-F807 HydrophobicContact CG-CE2 3.81Å; P316-F807 HydrophobicContact CG-CZ 3.68Å
808	T	31	Very low	31.2	Very low	121 Å²	121	138.7 Å²	138.7	74%	0.742	74%	0.743	S	S	*	*			trans	-105.1	114.4	165.8	-55.1	0	0	0	0	106.9	S806 D810	S806-T808 PolarHBondContact O-N 3.22Å; S806-T808 VanDerWaalsContact O-N 3.07Å; T808-D810 PolarHBondContact O-N 2.72Å
809	I	35.8	Very low	31.5	Very low	87 Å²	87	139.6 Å²	139.6	45%	0.446	75%	0.747	S	S	.	*			trans	-80.1	109.1	171.5	-62.5	175.3	0	0	0	106.3
810	D	30	Very low	31.4	Very low	117 Å²	117	139 Å²	139	63%	0.626	75%	0.745	S	S	*	*			trans	-67.1	140.6	173.1	-167.7	21.6	0	0	0	110.3	T808 T812	T808-D810 PolarHBondContact O-N 2.72Å; D810-T812 WeakPolarHBondContact OD2-CG2 3.29Å; D810-T812 PolarHBondContact OD2-OG1 2.79Å
811	L	32	Very low	31.5	Very low	133 Å²	133	141.3 Å²	141.3	70%	0.696	75%	0.753	S	S	*	*			trans	-116	55.4	-178.4	-73.2	174.2	0	0	0	109.3
812	T	30.9	Very low	31.4	Very low	106 Å²	106	139.3 Å²	139.3	65%	0.65	75%	0.75	S	S	*	*			trans	-93.9	141.3	175.8	37.6	0	0	0	0	111.1	D810	D810-T812 WeakPolarHBondContact OD2-CG2 3.29Å; D810-T812 PolarHBondContact OD2-OG1 2.79Å
813	L	29.9	Very low	31.3	Very low	135 Å²	135	137.7 Å²	137.7	71%	0.707	75%	0.745	S	S	*	*			trans	-80.4	146.2	-174.5	-69.7	156.5	0	0	0	111.5
814	S	31.8	Very low	31.3	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	74%	0.739	S	S	*	*			trans	-122.4	83.7	164.2	61	0	0	0	0	108.3	D816	S814-D816 PolarHBondContact O-N 3.36Å
815	D	33.5	Very low	31.4	Very low	131 Å²	131	131.7 Å²	131.7	70%	0.701	74%	0.739	S	S	*	*			trans	-85.9	99.1	178.9	-62.1	-45.4	0	0	0	109.8	E817	D815-E817 PolarHBondContact O-N 3.31Å
816	D	34.5	Very low	31.7	Very low	158 Å²	158	136.3 Å²	136.3	85%	0.845	74%	0.738	S	S	*	*			trans	-95	78	175.4	-81.4	-49.8	0	0	0	111.3	S814	S814-D816 PolarHBondContact O-N 3.36Å
817	E	35.4	Very low	31.8	Very low	192 Å²	192	137.6 Å²	137.6	90%	0.897	73%	0.734	S	S	*	*			trans	-127.1	118.3	163.5	-73.1	-160.4	152.9	0	0	111	D815	D815-E817 PolarHBondContact O-N 3.31Å
818	N	33.2	Very low	31.8	Very low	156 Å²	156	136.9 Å²	136.9	83%	0.834	74%	0.74	S	S	*	*			trans	-157.9	71.7	178.6	-160.1	-4.7	0	0	0	112
819	E	33.6	Very low	31.9	Very low	185 Å²	185	134.6 Å²	134.6	86%	0.864	73%	0.734	S	S	*	*			trans	-93.4	156.6	163.2	-79	-153.2	106.8	0	0	111.5
820	Q	31.3	Very low	31.8	Very low	155 Å²	155	134.5 Å²	134.5	72%	0.724	74%	0.741	S	S	*	*			trans	-107	167.5	-159.7	-52.1	-179	-9.4	0	0	114.7
821	Q	29.8	Very low	31.9	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	75%	0.748	S	S	*	*			trans	73.9	123.7	159	-60.2	163.7	41.7	0	0	116.9
822	G	28.4	Very low	31.9	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	75%	0.747	S	S	*	*			trans	-176.7	29.7	-177.1	0	0	0	0	0	119.8
823	I	28.1	Very low	31.9	Very low	160 Å²	160	137.2 Å²	137.2	82%	0.821	75%	0.754	S	S	*	*			trans	38.5	110.2	158.4	11.3	174.8	0	0	0	120.9
824	S	28.6	Very low	32	Very low	112 Å²	112	137 Å²	137	78%	0.783	76%	0.758	S	S	*	*			trans	72	149.7	147.2	90.7	0	0	0	0	118.5
825	S	32.6	Very low	32.3	Very low	112 Å²	112	136.8 Å²	136.8	78%	0.783	75%	0.754	S	S	*	*			cis	-144.8	156.6	10.6	-73.5	0	0	0	0	115.1
826	R	32.9	Very low	32.3	Very low	216 Å²	216	136.4 Å²	136.4	82%	0.815	76%	0.757	S	S	*	*			trans	-60	169.4	168.6	-82.3	171.9	87.7	173.8	6.9	115.3
827	E	31.8	Very low	32.4	Very low	120 Å²	120	136.9 Å²	136.9	56%	0.561	75%	0.751	S	S	*	*			cis	-146.6	172	-8.9	-83.7	-126.4	-156.8	0	0	107.8
828	T	33.2	Very low	32.6	Very low	117 Å²	117	133.1 Å²	133.1	72%	0.718	74%	0.737	S	S	*	*			cis	90	150.3	18	49.1	0	0	0	0	119.8
829	A	33.1	Very low	32.8	Very low	74 Å²	74	131.2 Å²	131.2	61%	0.612	73%	0.727	S	S	*	*			trans	74.9	155.4	-176.5	0	0	0	0	0	117.5
830	S	33.7	Very low	33	Very low	85 Å²	85	129.4 Å²	129.4	59%	0.594	72%	0.723	S	S	*	*			cis	-173.9	-167.7	-18	57.8	0	0	0	0	108.7	T898	S830-T898 WeakPolarHBondContact O-CG2 3.49Å
831	S	32.7	Very low	33.4	Very low	109 Å²	109	126.9 Å²	126.9	76%	0.762	72%	0.723	S	S	*	*				-162.6	-163	-67.5	-172	0	0	0	0	109.7
832	I	30.8	Very low	33.9	Very low	133 Å²	133	123.7 Å²	123.7	68%	0.682	72%	0.721	S	S	*	*			trans	95.8	136.6	155.5	-61.2	168.2	0	0	0	121.8
833	Q	31.9	Very low	34.4	Very low	170 Å²	170	125.4 Å²	125.4	79%	0.794	72%	0.722	S	S	*	*			trans	68.8	135.3	161.4	-78.3	149.7	7.5	0	0	121.5
834	V	31.6	Very low	34.9	Very low	132 Å²	132	128.9 Å²	128.9	80%	0.8	72%	0.724	S	S	*	*			cis	87.6	130	19.4	-177.3	0	0	0	0	112.7
835	P	36.7	Very low	35.5	Very low	102 Å²	102	128.9 Å²	128.9	66%	0.662	72%	0.722	S	S	*	*			cis	-152.5	-171.4	47.4	46.5	-26	0	0	0	120.4
836	T	34.5	Very low	35.5	Very low	124 Å²	124	128.7 Å²	128.7	76%	0.761	72%	0.716	S	S	*	*			trans	72.7	150.8	154.4	53.3	0	0	0	0	120.4
837	K	37.1	Very low	35.7	Very low	167 Å²	167	125.3 Å²	125.3	73%	0.726	71%	0.714	S	S	*	*			cis	-160.4	172.3	5.5	-132.3	179.7	172.8	-169.8	0	114.5
838	D	38.7	Very low	35.7	Very low	113 Å²	113	125 Å²	125	60%	0.604	72%	0.721	S	S	*	*			trans	67.9	144.8	152.8	-61.5	-17.1	0	0	0	119.8
839	N	38.3	Very low	35.7	Very low	117 Å²	117	125.8 Å²	125.8	63%	0.626	73%	0.725	S	S	*	*			cis	-162.1	151.3	-10.9	-114.9	-33.6	0	0	0	114.1
840	N	36.9	Very low	35.6	Very low	146 Å²	146	127.9 Å²	127.9	78%	0.781	73%	0.73	S	S	*	*			trans	63.5	147.5	153.2	-69.2	-29.8	0	0	0	121.2
841	S	40	Very low	35.3	Very low	102 Å²	102	127.6 Å²	127.6	71%	0.713	73%	0.728	S	S	*	*			cis	-158.8	148.4	-2.6	49.1	0	0	0	0	114.2
842	S	39.6	Very low	35.2	Very low	117 Å²	117	130.9 Å²	130.9	82%	0.818	73%	0.731	S	S	*	*			trans	30.9	144.4	140.6	-58.2	0	0	0	0	122.3
843	S	39	Very low	35	Very low	106 Å²	106	129.4 Å²	129.4	74%	0.741	73%	0.732	S	S	*	*			cis	-172.2	-169.3	-6.4	57.1	0	0	0	0	107.7
844	R	38.8	Very low	34.8	Very low	232 Å²	232	126.2 Å²	126.2	88%	0.875	73%	0.729	S	S	*	*			cis	-157.7	161.3	8.1	-147.6	170	-172.5	-160	2.4	109.3
845	P	41.3	Very low	34.7	Very low	112 Å²	112	124.6 Å²	124.6	73%	0.727	72%	0.723	S	S	*	*			trans	-127.5	-160.5	-164.1	35.5	-15.2	0	0	0	116.1
846	V	33.8	Very low	34.3	Very low	108 Å²	108	124.6 Å²	124.6	66%	0.655	73%	0.726	S	S	*	*			trans	98.8	116.6	155	-161.4	0	0	0	0	119.3
847	N	35.7	Very low	34.1	Very low	145 Å²	145	123.8 Å²	123.8	78%	0.775	73%	0.725	S	S	*	*				167.8	122.9	129.5	-84.6	-33.7	0	0	0	107.9
848	T	31.6	Very low	33.9	Very low	115 Å²	115	120.5 Å²	120.5	71%	0.706	72%	0.723	S	S	*	*				67.8	120.4	51.9	-44	0	0	0	0	109.6
849	V	35	Very low	33.6	Very low	132 Å²	132	120.3 Å²	120.3	80%	0.8	73%	0.731	S	S	*	*				-145	168.1	63	-165.5	0	0	0	0	113.3
850	T	29.7	Very low	33.6	Very low	119 Å²	119	119.4 Å²	119.4	73%	0.73	73%	0.733	S	S	*	*			trans	-66.2	-173.2	163.2	54.7	0	0	0	0	111.9
851	S	28.8	Very low	33.5	Very low	78 Å²	78	117.4 Å²	117.4	55%	0.545	73%	0.731	S	S	.	*			cis	-172	151.8	21.4	-5.2	0	0	0	0	112.7
852	H	29.1	Very low	33.3	Very low	179 Å²	179	120.4 Å²	120.4	83%	0.829	74%	0.738	S	S	*	*			trans	59.2	169.5	144.2	-56.4	-48.9	0	0	0	123.1
853	S	28.1	Very low	33.2	Very low	101 Å²	101	119.5 Å²	119.5	71%	0.706	73%	0.732	S	S	*	*			trans	70.2	92.6	154.2	30.9	0	0	0	0	120.9
854	S	27.7	Very low	33.4	Very low	103 Å²	103	120.2 Å²	120.2	72%	0.72	73%	0.734	S	S	*	*				65.3	145.6	115	64.8	0	0	0	0	123.6
855	S	27.5	Very low	33.1	Very low	98 Å²	98	116.7 Å²	116.7	69%	0.685	73%	0.727	S	S	*	*			trans	73.1	117.2	139	59.3	0	0	0	0	121.7
856	S	28.3	Very low	32.8	Very low	102 Å²	102	120.5 Å²	120.5	71%	0.713	73%	0.733	S	S	*	*				75.7	144.8	127.9	62.3	0	0	0	0	122.4
857	S	30.7	Very low	33.1	Very low	107 Å²	107	120.5 Å²	120.5	75%	0.748	74%	0.735	S	S	*	*			trans	67.3	144.9	150.2	43.7	0	0	0	0	119.4
858	S	32.8	Very low	33.8	Very low	99 Å²	99	119.4 Å²	119.4	69%	0.692	74%	0.736	S	S	*	*			cis	-172	167.9	-15.1	49.7	0	0	0	0	110.5
859	S	33.9	Very low	34	Very low	108 Å²	108	118.8 Å²	118.8	76%	0.755	74%	0.736	S	S	*	*			trans	63.6	147.3	156.5	48.2	0	0	0	0	117.4
860	S	38	Very low	33.8	Very low	98 Å²	98	119.4 Å²	119.4	69%	0.685	74%	0.735	S	S	*	*			cis	-142.6	136.1	16.9	-33.9	0	0	0	0	109.1
861	S	35.2	Very low	34	Very low	105 Å²	105	120.8 Å²	120.8	73%	0.734	74%	0.737	S	S	*	*				71.4	141.9	94.4	88.1	0	0	0	0	114.3
862	L	35.6	Very low	34.1	Very low	165 Å²	165	121.1 Å²	121.1	86%	0.864	74%	0.74	S	S	*	*			cis	-134.7	155.6	11.3	-74.5	160.9	0	0	0	112.3
863	S	37.1	Very low	34.2	Very low	97 Å²	97	120.7 Å²	120.7	68%	0.678	74%	0.738	S	S	*	*			trans	-93.5	170.3	168.5	-47.3	0	0	0	0	111.3
864	P	43	Very low	34.2	Very low	121 Å²	121	121 Å²	121	79%	0.786	74%	0.74	S	S	*	*				-135.5	150	75.9	37.6	-23.8	0	0	0	113.3
865	Q	32.7	Very low	34.4	Very low	158 Å²	158	120.4 Å²	120.4	74%	0.738	74%	0.736	S	S	*	*			cis	82.9	125.9	23	-162.1	173.7	21.2	0	0	116.2
866	F	35	Very low	34.6	Very low	192 Å²	192	123.1 Å²	123.1	84%	0.842	74%	0.738	S	S	*	*			trans	137.4	145.2	160.2	-76.3	-55.5	0	0	0	111
867	P	40.2	Very low	34.7	Very low	109 Å²	109	128.3 Å²	128.3	71%	0.708	74%	0.743	S	S	*	*			cis	-133.6	164.4	-46.2	37.1	-22.3	0	0	0	113.8
868	P	49	Very low	34.8	Very low	122 Å²	122	127.1 Å²	127.1	79%	0.792	74%	0.735	S	S	*	*			trans	-102.2	157.6	167.1	38.2	-31.9	0	0	0	113.5
869	S	36.7	Very low	34.8	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	74%	0.737	S	S	*	*			trans	-157	122.6	166.2	-53.8	0	0	0	0	107.1
870	D	30.1	Very low	34.9	Very low	146 Å²	146	129.4 Å²	129.4	78%	0.781	73%	0.733	S	S	*	*				69.4	139.5	92.6	-63.1	-51	0	0	0	113.6
871	L	33.6	Very low	34.7	Very low	147 Å²	147	130.7 Å²	130.7	77%	0.77	73%	0.733	S	S	*	*			cis	-155.7	151.6	33.8	-116.7	123.6	0	0	0	112.1
872	S	30.9	Very low	34.7	Very low	86 Å²	86	135.2 Å²	135.2	60%	0.601	74%	0.735	S	S	*	*			trans	43.6	151.6	140.5	66.3	0	0	0	0	123.1
873	Q	31.7	Very low	34.4	Very low	169 Å²	169	135.2 Å²	135.2	79%	0.79	73%	0.731	S	S	*	*			cis	-173.3	160.6	-2.7	-110.1	165.9	16.5	0	0	108.8
874	S	28.1	Very low	34.6	Very low	107 Å²	107	135.9 Å²	135.9	75%	0.748	73%	0.733	S	S	*	*			trans	55.9	148.1	148.6	58.3	0	0	0	0	121.1
875	S	33.1	Very low	34.4	Very low	91 Å²	91	136.1 Å²	136.1	64%	0.636	73%	0.734	S	S	*	*			cis	-172.2	137	-5.6	41.8	0	0	0	0	112.5
876	H	30.2	Very low	34.2	Very low	156 Å²	156	138 Å²	138	72%	0.722	74%	0.74	S	S	*	*			trans	54.4	154.3	139.6	-69.9	-93.2	0	0	0	123.8
877	Y	31.7	Very low	33.9	Very low	210 Å²	210	133.6 Å²	133.6	82%	0.824	73%	0.733	S	S	*	*			trans	68.1	146.6	167.2	-57.3	-67.7	0	0	0	115.8
878	S	32.8	Very low	33.4	Very low	83 Å²	83	136.1 Å²	136.1	58%	0.58	74%	0.74	S	S	*	*			cis	-178.6	161.7	-19.6	-110.2	0	0	0	0	105.6
879	E	32.5	Very low	32.5	Very low	156 Å²	156	138.1 Å²	138.1	73%	0.729	74%	0.739	S	S	*	*			cis	-164.3	169.8	-3.9	-132.6	162	111.2	0	0	109.5
880	S	36.6	Very low	32.1	Very low	98 Å²	98	139.5 Å²	139.5	69%	0.685	74%	0.743	S	S	*	*			trans	71.4	147.6	152.1	83.1	0	0	0	0	119.6
881	N	33.2	Very low	32.1	Very low	125 Å²	125	136.7 Å²	136.7	67%	0.668	74%	0.735	S	S	*	*			cis	-162.7	167.6	-21.9	-114	-27.4	0	0	0	112.9
882	Y	34.7	Very low	32	Very low	200 Å²	200	136.4 Å²	136.4	78%	0.784	73%	0.734	S	S	*	*			trans	62.3	110.1	171.1	-56.9	-66.5	0	0	0	117
883	Q	29.9	Very low	32	Very low	165 Å²	165	143.4 Å²	143.4	77%	0.771	75%	0.747	S	S	*	*			cis	101.1	116.7	33.4	-78.6	-139.8	-41.6	0	0	114.9
884	P	41.4	Very low	32.2	Very low	112 Å²	112	140.5 Å²	140.5	73%	0.727	74%	0.743	S	S	*	*			trans	-96.1	159.6	146.7	37.8	-31.1	0	0	0	111.5
885	P	38.3	Very low	32.4	Very low	125 Å²	125	140.6 Å²	140.6	81%	0.812	74%	0.744	S	S	*	*			trans	-118.9	165	165.2	37.1	-26.5	0	0	0	114.3
886	F	29.7	Very low	32.4	Very low	198 Å²	198	140.9 Å²	140.9	87%	0.868	75%	0.745	S	S	*	*			trans	-94.9	165.5	-176.1	-83.2	-107.1	0	0	0	114
887	S	27.8	Very low	32.5	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	75%	0.745	S	S	*	*			trans	6.4	134.5	146	-48.1	0	0	0	0	120.3
888	L	30.5	Very low	32.4	Very low	162 Å²	162	133.4 Å²	133.4	85%	0.848	73%	0.726	S	S	*	*				-173.8	125.8	124.8	-100.9	158.1	0	0	0	114.4
889	H	28.3	Very low	32.4	Very low	164 Å²	164	136.5 Å²	136.5	76%	0.759	74%	0.735	S	S	*	*			trans	28.2	147.2	141.1	-89.7	-103.8	0	0	0	124.7
890	T	29.1	Very low	32.3	Very low	130 Å²	130	134.6 Å²	134.6	80%	0.798	74%	0.74	S	S	*	*			trans	73.1	149.8	164.4	70.7	0	0	0	0	117.4
891	S	29.5	Very low	31.9	Very low	87 Å²	87	135.7 Å²	135.7	61%	0.608	75%	0.747	S	S	*	*			cis	-166.5	165.8	-20.9	52.7	0	0	0	0	110.9
892	N	31.7	Very low	31.8	Very low	141 Å²	141	134.7 Å²	134.7	75%	0.754	76%	0.756	S	S	*	*			trans	66.9	152.2	163.4	-59.8	-44.5	0	0	0	117.4
893	R	31.3	Very low	31.5	Very low	233 Å²	233	130.2 Å²	130.2	88%	0.879	75%	0.754	S	S	*	*			cis	-155.7	-177.2	-25	-117.8	-159.5	154.8	-177.6	-5.6	107.6
894	P	35.1	Very low	31.4	Very low	107 Å²	107	133 Å²	133	70%	0.695	76%	0.759	S	S	*	*			trans	-119.7	-160.6	-143.6	46.2	-34.4	0	0	0	115.3
895	S	32.7	Very low	30.7	Very low	110 Å²	110	132.2 Å²	132.2	77%	0.769	76%	0.757	S	S	*	*			trans	109	146.7	164	-43.7	0	0	0	0	114.5
896	S	32.8	Very low	30.2	Very low	96 Å²	96	135.2 Å²	135.2	67%	0.671	76%	0.757	S	S	*	*			cis	-176.2	174.7	-27.1	51.3	0	0	0	0	109.3
897	I	33.6	Very low	30.1	Very low	141 Å²	141	130.8 Å²	130.8	72%	0.723	75%	0.751	S	S	*	*			trans	78.2	105.1	171	-54	157.2	0	0	0	112.7
898	T	30	Very low	30.1	Very low	69 Å²	69	130.5 Å²	130.5	42%	0.423	75%	0.747	S	S	.	*			cis	67.3	155	41.2	86.2	0	0	0	0	113.6	S830	S830-T898 WeakPolarHBondContact O-CG2 3.49Å
899	L	31	Very low	29.8	Very low	147 Å²	147	130.6 Å²	130.6	77%	0.77	75%	0.749	S	S	*	*			cis	-99.5	-154.9	4.7	-66.4	81.4	0	0	0	109.5
900	S	31.6	Very low	29.9	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	75%	0.748	S	S	*	*			cis	-155.6	161.2	13.1	-66.8	0	0	0	0	111.8
901	S	28.4	Very low	29.9	Very low	120 Å²	120	128.4 Å²	128.4	84%	0.839	74%	0.739	S	S	*	*			trans	-150.5	156.9	161.8	61.5	0	0	0	0	110.4
902	A	30.6	Very low	29.8	Very low	105 Å²	105	130.9 Å²	130.9	87%	0.868	74%	0.744	S	S	*	*			trans	-128.1	85.7	-175.4	0	0	0	0	0	112.1
903	S	28.4	Very low	29.8	Very low	105 Å²	105	130.1 Å²	130.1	73%	0.734	75%	0.75	S	S	*	*			trans	-102.9	163.9	156.3	-68.6	0	0	0	0	109.1
904	Y	26.9	Very low	29.8	Very low	224 Å²	224	125.3 Å²	125.3	88%	0.878	74%	0.74	S	S	*	*			trans	87.1	124.6	176.2	-73.9	-86.3	0	0	0	120.1
905	S	26.7	Very low	29.8	Very low	96 Å²	96	125.7 Å²	125.7	67%	0.671	74%	0.743	S	S	*	*			trans	105.9	138.7	131.5	81.7	0	0	0	0	119.2
906	K	29.7	Very low	29.8	Very low	187 Å²	187	125.8 Å²	125.8	81%	0.813	74%	0.741	S	S	*	*			trans	70.5	125.7	169.5	-55.2	170.1	-171.4	175.3	0	114.6
907	S	26.2	Very low	29.8	Very low	106 Å²	106	127 Å²	127	74%	0.741	74%	0.744	S	S	*	*			cis	80.8	65.7	30.9	90.7	0	0	0	0	115.4
908	C	27.5	Very low	29.7	Very low	94 Å²	94	130 Å²	130	64%	0.635	75%	0.748	S	S	*	*			trans	-150	141	153.7	-87.4	0	0	0	0	106.1	Q910	C908-Q910 HydrophobicContact CB-CB 4.35Å
909	N	25.1	Very low	29.8	Very low	163 Å²	163	131.8 Å²	131.8	87%	0.872	76%	0.763	S	S	*	*			cis	59.5	40.5	5.4	-81.7	16.4	0	0	0	116.2
910	Q	30.4	Very low	30	Very low	161 Å²	161	129.6 Å²	129.6	75%	0.752	76%	0.76	S	S	*	*			trans	-177.7	147	155.9	-98.2	151.2	40.5	0	0	106.1	C908	C908-Q910 HydrophobicContact CB-CB 4.35Å
911	S	28.6	Very low	30.2	Very low	87 Å²	87	133 Å²	133	61%	0.608	76%	0.763	S	S	*	*			cis	157	135.1	-23.6	49.5	0	0	0	0	105.6
912	I	27.6	Very low	30.5	Very low	139 Å²	139	131.9 Å²	131.9	71%	0.713	76%	0.755	S	S	*	*			trans	63.3	113.9	158.7	-56.1	160.3	0	0	0	117.2
913	S	30.8	Very low	30.5	Very low	126 Å²	126	133.9 Å²	133.9	88%	0.881	75%	0.751	S	S	*	*				-150.5	92.1	129.9	-81.9	0	0	0	0	107.9
914	I	33.2	Very low	30.5	Very low	131 Å²	131	133.6 Å²	133.6	67%	0.672	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-101	133.6	-176	-68.7	163.9	0	0	0	107.9
915	P	34.6	Very low	30.7	Very low	115 Å²	115	128.6 Å²	128.6	75%	0.747	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-67.7	123	160.7	29.4	-31.1	0	0	0	108.2
916	P	33	Very low	30.9	Very low	113 Å²	113	132.1 Å²	132.1	73%	0.734	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-61.7	153.4	-170.5	26.3	-35.5	0	0	0	112
917	V	32.5	Very low	30.9	Very low	120 Å²	120	128.1 Å²	128.1	73%	0.727	74%	0.744	S	S	*	*				-167.9	133.4	90.2	141.3	0	0	0	0	111
918	Y	31.9	Very low	31.1	Very low	205 Å²	205	129 Å²	129	80%	0.804	74%	0.744	S	S	*	*			trans	40	113.4	154.2	-70.7	-105.6	0	0	0	119.7
919	S	32.2	Very low	31.2	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	75%	0.748	S	S	*	*				77.5	135.5	91.2	-58.3	0	0	0	0	114.4
920	S	35.2	Very low	31.4	Very low	101 Å²	101	127.5 Å²	127.5	71%	0.706	74%	0.742	S	S	*	*			cis	-165.9	153.6	0.4	44.9	0	0	0	0	111.2
921	E	34.6	Very low	31.5	Very low	188 Å²	188	124.4 Å²	124.4	88%	0.879	74%	0.738	S	S	*	*			trans	39.1	146.5	142.2	-67.6	174.9	176.7	0	0	122.6
922	S	35.4	Very low	31.9	Very low	98 Å²	98	128 Å²	128	69%	0.685	75%	0.746	S	S	*	*			cis	-169	150.1	-9.7	56.8	0	0	0	0	113.1
923	N	30.7	Very low	32.1	Very low	146 Å²	146	127.4 Å²	127.4	78%	0.781	74%	0.744	S	S	*	*			trans	45.1	101.5	142.8	-68.9	-8.1	0	0	0	123.4
924	S	28.9	Very low	32.1	Very low	100 Å²	100	128.9 Å²	128.9	70%	0.699	74%	0.741	S	S	*	*				78.9	160.5	111.7	79.4	0	0	0	0	123.4
925	T	29.9	Very low	32	Very low	118 Å²	118	129.1 Å²	129.1	72%	0.724	75%	0.748	S	S	*	*			trans	73.3	120	162.2	39.5	0	0	0	0	121.7
926	Q	31.6	Very low	32	Very low	170 Å²	170	129.6 Å²	129.6	79%	0.794	75%	0.749	S	S	*	*			trans	69.3	99.6	141.9	-60.6	-175.8	27.5	0	0	121.4
927	S	28.6	Very low	32.5	Very low	103 Å²	103	129.7 Å²	129.7	72%	0.72	75%	0.749	S	S	*	*				82.1	153	120.4	83.4	0	0	0	0	121.5
928	V	30.5	Very low	32.5	Very low	124 Å²	124	130.5 Å²	130.5	75%	0.752	75%	0.75	S	S	*	*			trans	64	73.2	159	-169	0	0	0	0	118.1
929	S	29.3	Very low	32.6	Very low	101 Å²	101	126.7 Å²	126.7	71%	0.706	75%	0.747	S	S	*	*				60.3	170.9	124.1	69.8	0	0	0	0	124.6
930	V	31	Very low	32.5	Very low	125 Å²	125	126.2 Å²	126.2	76%	0.758	74%	0.744	S	S	*	*			trans	82.2	93.9	162.4	-174.9	0	0	0	0	117.6
931	S	31.6	Very low	32.4	Very low	96 Å²	96	126.7 Å²	126.7	67%	0.671	74%	0.742	S	S	*	*			trans	72.7	121.7	130.1	-60.7	0	0	0	0	123.8
932	Q	36.3	Very low	32.3	Very low	163 Å²	163	124.8 Å²	124.8	76%	0.762	74%	0.737	S	S	*	*				82.2	128.1	123	-73.6	-176.4	4.4	0	0	123.1
933	N	32.4	Very low	32.2	Very low	126 Å²	126	126.8 Å²	126.8	67%	0.674	74%	0.74	S	S	*	*			trans	84.5	118.1	137.9	-62	-12.5	0	0	0	122.1
934	L	30.6	Very low	32.3	Very low	158 Å²	158	123.7 Å²	123.7	83%	0.827	74%	0.735	S	S	*	*			trans	17.3	136.6	139.9	-65.9	81.9	0	0	0	120.2
935	V	32.3	Very low	32.6	Very low	136 Å²	136	124.1 Å²	124.1	82%	0.824	74%	0.737	S	S	*	*				-162.7	155.8	106.5	137.5	0	0	0	0	110.3
936	V	33.1	Very low	32.9	Very low	125 Å²	125	122.9 Å²	122.9	76%	0.758	73%	0.733	S	S	*	*			trans	-132.5	134.6	-179.2	179.8	0	0	0	0	111	N938	V936-N938 HydrophobicContact CG1-CB 4.44Å
937	P	44.2	Very low	32.9	Very low	114 Å²	114	122.2 Å²	122.2	74%	0.74	74%	0.735	S	S	*	*			trans	-125.4	131.6	138.3	34.4	-24.2	0	0	0	110.1
938	N	31.7	Very low	33.2	Very low	138 Å²	138	123.8 Å²	123.8	74%	0.738	73%	0.731	S	S	*	*			cis	77.1	145.6	29	-156.7	13	0	0	0	114.7	V936	V936-N938 HydrophobicContact CG1-CB 4.44Å
939	V	33.7	Very low	33.2	Very low	124 Å²	124	129.6 Å²	129.6	75%	0.752	74%	0.74	S	S	*	*			trans	71.6	131.8	176.9	-174.2	0	0	0	0	114.7
940	S	30.2	Very low	33.3	Very low	97 Å²	97	132.1 Å²	132.1	68%	0.678	73%	0.734	S	S	*	*			cis	-158.1	-170.4	-21.1	47.5	0	0	0	0	108
941	V	33.1	Very low	33.4	Very low	110 Å²	110	134.6 Å²	134.6	67%	0.667	73%	0.731	S	S	*	*				162.8	132.1	88.5	164.4	0	0	0	0	108
942	I	33.7	Very low	33.4	Very low	149 Å²	149	135.5 Å²	135.5	76%	0.764	74%	0.735	S	S	*	*			trans	64.2	140.6	158.4	-74.2	169.4	0	0	0	118.1
943	N	32.1	Very low	33.2	Very low	140 Å²	140	133 Å²	133	75%	0.749	73%	0.732	S	S	*	*			cis	-151.5	163.5	0	-132.8	-6.2	0	0	0	113.4
944	A	34.5	Very low	33.4	Very low	81 Å²	81	133.4 Å²	133.4	67%	0.669	74%	0.739	S	S	*	*			trans	45.6	139.6	145.7	0	0	0	0	0	122.2
945	S	34.4	Very low	33.5	Very low	108 Å²	108	131.2 Å²	131.2	76%	0.755	74%	0.737	S	S	*	*			cis	-162.4	144.9	-9.1	-101.1	0	0	0	0	112.4
946	S	35.4	Very low	33.4	Very low	92 Å²	92	130.2 Å²	130.2	64%	0.643	74%	0.736	S	S	*	*			trans	13.5	139.7	149.3	65.8	0	0	0	0	120.8
947	N	32.7	Very low	33.5	Very low	156 Å²	156	133.7 Å²	133.7	83%	0.834	74%	0.744	S	S	*	*			cis	-143.9	141.6	43.2	-91.9	-69	0	0	0	115.2
948	Q	34.2	Very low	32.9	Very low	136 Å²	136	137.3 Å²	137.3	64%	0.636	75%	0.751	S	S	*	*			trans	-122	150.3	166.3	-66.5	178.4	-29.8	0	0	110.1	R950	Q948-R950 HydrophobicContact CB-CG 4.04Å
949	R	31.2	Very low	33	Very low	247 Å²	247	140.8 Å²	140.8	93%	0.932	76%	0.759	S	S	*	*			trans	-121.5	122.5	142.8	-77	-169.6	-176.3	-156.5	2.6	104.9
950	R	31.6	Very low	32.8	Very low	154 Å²	154	143.3 Å²	143.3	58%	0.581	76%	0.763	S	S	*	*			cis	55.1	127.9	23.6	-55.9	-162.1	-172.3	-162.6	1.5	112.3	Q948	Q948-R950 HydrophobicContact CB-CG 4.04Å
951	Y	31.7	Very low	33	Very low	176 Å²	176	145.6 Å²	145.6	69%	0.69	77%	0.773	S	S	*	*			cis	-143	-173.9	22.7	-83.6	-73	0	0	0	109.4
952	P	32.7	Very low	32.9	Very low	116 Å²	116	148.5 Å²	148.5	75%	0.753	78%	0.779	S	S	*	*			cis	-129.8	163.3	2	40.5	-25	0	0	0	116.8
953	P	32.7	Very low	32.9	Very low	109 Å²	109	144.9 Å²	144.9	71%	0.708	78%	0.779	S	S	*	*			trans	-111.7	140.3	162.1	37.4	-28.2	0	0	0	113.2
954	V	35.1	Very low	33.1	Very low	136 Å²	136	144.3 Å²	144.3	82%	0.824	78%	0.782	S	S	*	*			trans	-156	138.5	171.6	179.1	0	0	0	0	106.5
955	S	34.3	Very low	32.9	Very low	111 Å²	111	144.9 Å²	144.9	78%	0.776	79%	0.787	S	S	*	*			cis	-152.2	158.9	-24.5	-96.7	0	0	0	0	107.9
956	S	30.2	Very low	32.9	Very low	116 Å²	116	146.1 Å²	146.1	81%	0.811	79%	0.79	S	S	*	*			trans	-82	138.8	173.3	54.8	0	0	0	0	112
957	E	33.4	Very low	32.6	Very low	197 Å²	197	149.4 Å²	149.4	92%	0.921	80%	0.801	S	S	*	*			trans	-147.2	145	147.2	-130.7	177.2	-178.7	0	0	111.8
958	Q	31.4	Very low	32.6	Very low	190 Å²	190	149.8 Å²	149.8	89%	0.888	80%	0.801	S	S	*	*			trans	-103.9	138.2	-179.6	-66.2	174.2	-27	0	0	109.7
959	K	34.3	Very low	32.6	Very low	211 Å²	211	148.6 Å²	148.6	92%	0.917	81%	0.805	S	S	*	*			trans	-147.8	125	147.8	-128.6	164.5	-170.6	167.8	0	113.2
960	Q	29.8	Very low	32.5	Very low	177 Å²	177	142.4 Å²	142.4	83%	0.827	80%	0.799	S	S	*	*			trans	-99.7	119.6	-177	179.4	-177.9	10.3	0	0	108.8
961	V	34.7	Very low	32.5	Very low	146 Å²	146	140.7 Å²	140.7	89%	0.885	81%	0.81	S	S	*	*			trans	-136.2	148.1	168.1	-175.7	0	0	0	0	107.7
962	Q	31.3	Very low	32.6	Very low	171 Å²	171	138.5 Å²	138.5	80%	0.799	82%	0.815	S	S	*	*			trans	-132	112.6	-144.7	-175.4	174.3	-2.7	0	0	114.5
963	G	34.2	Very low	32.6	Very low	73 Å²	73	139.3 Å²	139.3	75%	0.753	82%	0.818	S	S	*	*			trans	68.9	-171.8	163	0	0	0	0	0	116.8
964	P	36.4	Very low	32.7	Very low	127 Å²	127	142.2 Å²	142.2	83%	0.825	82%	0.822	S	S	*	*			cis	-116.5	174.9	-12.3	39.3	-27.1	0	0	0	112.8
965	A	29.4	Very low	32.8	Very low	94 Å²	94	141.3 Å²	141.3	78%	0.777	82%	0.821	S	S	*	*			trans	-94.4	143.8	177.3	0	0	0	0	0	112.8
966	T	34.8	Very low	32.7	Very low	133 Å²	133	142.7 Å²	142.7	82%	0.816	82%	0.82	S	S	*	*			trans	-136.2	111.5	169.1	50.5	0	0	0	0	110.7
967	N	28.5	Very low	33	Very low	161 Å²	161	143.1 Å²	143.1	86%	0.861	82%	0.818	S	S	*	*			trans	-101.7	121.5	171.7	-77	-29.4	0	0	0	110
968	I	32.4	Very low	33.1	Very low	164 Å²	164	139.3 Å²	139.3	84%	0.841	81%	0.81	S	S	*	*			trans	-138.8	129.1	160.8	-58.4	-176.5	0	0	0	108.1
969	P	34	Very low	33.3	Very low	111 Å²	111	137.1 Å²	137.1	72%	0.721	81%	0.809	S	S	*	*			trans	-108.3	-172.3	-172.9	41	-36.2	0	0	0	115.2
970	C	29.1	Very low	33.3	Very low	118 Å²	118	132.1 Å²	132.1	80%	0.797	80%	0.801	S	S	*	*			trans	94.2	96	156.9	-63.9	0	0	0	0	121.1
971	S	33.1	Very low	33.6	Very low	117 Å²	117	131.2 Å²	131.2	82%	0.818	80%	0.801	S	S	*	*				-179.9	116.1	129	46.3	0	0	0	0	108.6
972	V	32.9	Very low	33.7	Very low	131 Å²	131	130.2 Å²	130.2	79%	0.794	80%	0.797	S	S	*	*				82.7	93.9	58	176.7	0	0	0	0	113.8
973	T	33.2	Very low	33.8	Very low	132 Å²	132	127.3 Å²	127.3	81%	0.81	80%	0.796	S	S	*	*			trans	160	160	137.9	36.5	0	0	0	0	110.2
974	Q	34.6	Very low	33.7	Very low	171 Å²	171	130.9 Å²	130.9	80%	0.799	80%	0.796	S	S	*	*				-176.3	113.7	-55.8	169.4	177.9	4.1	0	0	108.7
975	S	35.9	Very low	33.5	Very low	116 Å²	116	131.5 Å²	131.5	81%	0.811	80%	0.797	S	S	*	*			trans	-170.5	149.8	155.7	48.4	0	0	0	0	111.8
976	D	34.1	Very low	33.8	Very low	141 Å²	141	131.8 Å²	131.8	75%	0.754	79%	0.79	S	S	*	*			trans	-89.8	177.8	-168.3	-50.5	-89.5	0	0	0	112
977	V	35.3	Very low	33.7	Very low	125 Å²	125	130 Å²	130	76%	0.758	78%	0.782	S	S	*	*			cis	-156.1	145.4	31.2	176.8	0	0	0	0	110.9
978	P	35.6	Very low	34	Very low	117 Å²	117	127.4 Å²	127.4	76%	0.76	78%	0.783	S	S	*	*			trans	-121.7	140.4	159.2	36.3	-24.9	0	0	0	114
979	V	35.3	Very low	34.1	Very low	144 Å²	144	126 Å²	126	87%	0.873	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-85.8	138.8	174.9	177.9	0	0	0	0	111
980	S	34.1	Very low	34.1	Very low	105 Å²	105	127 Å²	127	73%	0.734	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-103.6	144.7	-167.2	51.2	0	0	0	0	115.1
981	L	36.1	Very low	34.4	Very low	159 Å²	159	125.2 Å²	125.2	83%	0.832	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-81.8	142.7	161.6	-74.7	81.9	0	0	0	110.2
982	P	38.4	Very low	34.4	Very low	124 Å²	124	123.3 Å²	123.3	81%	0.805	79%	0.791	S	S	*	*			trans	-87.9	113.7	165.9	32.7	-29.9	0	0	0	111.1
983	S	31.7	Very low	34.5	Very low	110 Å²	110	127.2 Å²	127.2	77%	0.769	80%	0.797	S	S	*	*			trans	-160.2	88.7	166.3	-80.2	0	0	0	0	111.1
984	I	32.8	Very low	34.4	Very low	149 Å²	149	131.8 Å²	131.8	76%	0.764	80%	0.8	S	S	*	*			trans	-165.3	132.2	166.5	-102.2	146.2	0	0	0	108.8	T986	I984-T986 HydrophobicContact CG2-CG2 4.26Å
985	V	32.5	Very low	34.5	Very low	140 Å²	140	130 Å²	130	85%	0.848	80%	0.803	S	S	*	*			trans	-137.6	97	134.8	-176.9	0	0	0	0	107.5
986	T	34.8	Very low	34.3	Very low	100 Å²	100	129.2 Å²	129.2	61%	0.613	80%	0.797	S	S	*	*			trans	-14.7	121.6	149.6	41.6	0	0	0	0	115.1	I984	I984-T986 HydrophobicContact CG2-CG2 4.26Å
987	S	33.4	Very low	34.3	Very low	95 Å²	95	127.9 Å²	127.9	66%	0.664	80%	0.799	S	S	*	*				77.6	126	63.8	77.2	0	0	0	0	115.1
988	A	35.7	Very low	34.2	Very low	106 Å²	106	126.5 Å²	126.5	88%	0.876	80%	0.795	S	S	*	*			trans	-131.3	135.4	163.5	0	0	0	0	0	109
989	T	33.3	Very low	34	Very low	135 Å²	135	128 Å²	128	83%	0.828	80%	0.797	S	S	*	*			trans	-127	134	-162.8	-42.3	0	0	0	0	111.1
990	C	34.7	Very low	33.8	Very low	132 Å²	132	131.7 Å²	131.7	89%	0.892	80%	0.797	S	S	*	*			trans	-162.4	139.2	165.3	-132.6	0	0	0	0	115.3
991	G	34.8	Very low	33.5	Very low	80 Å²	80	134 Å²	134	83%	0.825	80%	0.801	S	S	*	*			trans	69.9	74.9	147.5	0	0	0	0	0	120.1
992	G	33.3	Very low	33.2	Very low	78 Å²	78	135 Å²	135	80%	0.804	80%	0.798	S	S	*	*			trans	-93.6	-169.1	176.9	0	0	0	0	0	116.4
993	K	35.7	Very low	32.6	Very low	213 Å²	213	133.6 Å²	133.6	93%	0.926	79%	0.792	S	S	*	*			trans	-163.8	136.6	155.2	-106.7	165.8	-174.1	178.9	0	110.3
994	R	30.5	Very low	32.4	Very low	228 Å²	228	132.6 Å²	132.6	86%	0.86	79%	0.785	S	S	*	*			trans	-77.1	156.5	170.7	-82.1	-179.6	169.3	175.3	-4.4	110.6
995	P	36.3	Very low	32.2	Very low	133 Å²	133	131.9 Å²	131.9	86%	0.864	78%	0.782	S	S	*	*				-115.9	-178.5	95.1	-6.2	26	0	0	0	113.8
996	S	32.7	Very low	32	Very low	99 Å²	99	130.9 Å²	130.9	69%	0.692	77%	0.772	S	S	*	*			trans	-134.3	140.4	-170.5	52.8	0	0	0	0	113
997	S	33.3	Very low	31.7	Very low	113 Å²	113	134.3 Å²	134.3	79%	0.79	78%	0.779	S	S	*	*			trans	174.6	166.6	135.9	52.8	0	0	0	0	111.9
998	S	33.9	Very low	31.4	Very low	97 Å²	97	138.2 Å²	138.2	68%	0.678	78%	0.78	S	S	*	*			trans	55.3	81.8	167.9	60.1	0	0	0	0	117.3
999	D	30.3	Very low	31.1	Very low	149 Å²	149	141.1 Å²	141.1	80%	0.797	78%	0.775	S	S	*	*				29.4	111.7	117.3	-42.8	-48.2	0	0	0	118.3
1000	Y	30.8	Very low	30.8	Very low	221 Å²	221	139.1 Å²	139.1	87%	0.867	77%	0.767	S	S	*	*			trans	-153.5	119.7	134.5	-101.7	-69.5	0	0	0	110.1
1001	N	28.8	Very low	30.5	Very low	153 Å²	153	136.3 Å²	136.3	82%	0.818	76%	0.76	S	S	*	*			trans	-75.5	121.5	169.8	-100.7	-37.5	0	0	0	109.5
1002	F	29.7	Very low	30.3	Very low	179 Å²	179	139.3 Å²	139.3	79%	0.785	76%	0.763	S	S	*	*			trans	-115.2	69.2	163.6	-95.9	-78.8	0	0	0	110.9
1003	S	26.9	Very low	29.9	Very low	95 Å²	95	144 Å²	144	66%	0.664	76%	0.763	S	S	*	*			trans	-92.9	152.1	150.7	-66.3	0	0	0	0	108.6
1004	S	26.7	Very low	29.7	Very low	89 Å²	89	139.3 Å²	139.3	62%	0.622	76%	0.758	S	S	*	*			trans	71.1	93.9	167.7	-53.7	0	0	0	0	118.2
1005	L	29.3	Very low	29.8	Very low	135 Å²	135	132.7 Å²	132.7	71%	0.707	74%	0.742	S	S	*	*			trans	-136.4	105.1	140	-69.3	176.8	0	0	0	107.2	F1007	L1005-F1007 HydrophobicContact CD2-CD2 3.8Å; L1005-F1007 HydrophobicContact CD2-CE2 3.89Å
1006	N	27.3	Very low	29.5	Very low	119 Å²	119	131.3 Å²	131.3	64%	0.636	74%	0.736	S	S	*	*			cis	59	47.7	-1.2	-84.4	0.1	0	0	0	117.1	Y1008	N1006-Y1008 VanDerWaalsContact C-N 3.32Å; N1006-Y1008 PolarHBondContact O-N 2.9Å
1007	F	28.7	Very low	29.3	Very low	172 Å²	172	133.7 Å²	133.7	75%	0.754	74%	0.741	S	S	*	*			trans	-81.9	85.3	142.8	-104	-70.4	0	0	0	110.1	L1005 Q1009	L1005-F1007 HydrophobicContact CD2-CD2 3.8Å; L1005-F1007 HydrophobicContact CD2-CE2 3.89Å; F1007-Q1009 PolarHBondContact O-N 3.42Å
1008	Y	27.1	Very low	29.3	Very low	177 Å²	177	134.6 Å²	134.6	69%	0.694	74%	0.737	S	S	*	*			trans	-83.1	97.1	158.4	-113.2	-83.6	0	0	0	108.4	N1006 S1010	N1006-Y1008 VanDerWaalsContact C-N 3.32Å; N1006-Y1008 PolarHBondContact O-N 2.9Å; Y1008-S1010 WeakPolarHBondContact CD1-OG 3.4Å; Y1008-S1010 PolarHBondContact O-OG 2.98Å
1009	Q	28.9	Very low	29.3	Very low	167 Å²	167	137.8 Å²	137.8	78%	0.78	75%	0.747	S	S	*	*			trans	-112.7	105.5	144.7	-75.1	-176	-16.3	0	0	104.9	F1007	F1007-Q1009 PolarHBondContact O-N 3.42Å
1010	S	28.1	Very low	29.5	Very low	92 Å²	92	134.2 Å²	134.2	64%	0.643	75%	0.745	S	S	*	*			cis	53.4	77.7	40.4	-40.6	0	0	0	0	109.8	Y1008	Y1008-S1010 WeakPolarHBondContact CD1-OG 3.4Å; Y1008-S1010 PolarHBondContact O-OG 2.98Å
1011	G	28.6	Very low	29.8	Very low	73 Å²	73	127.1 Å²	127.1	75%	0.753	73%	0.728	S	S	*	*			trans	-174	-4.2	-171.8	0	0	0	0	0	120.2
1012	T	29	Very low	30.1	Very low	143 Å²	143	127.3 Å²	127.3	88%	0.877	72%	0.717	S	S	*	*			trans	-136.9	61.8	170.5	57.4	0	0	0	0	112.6
1013	Q	26	Very low	30.2	Very low	176 Å²	176	122.4 Å²	122.4	82%	0.822	70%	0.704	S	S	*	*			trans	-77.7	119.2	138.6	-75.9	-175.8	-8.1	0	0	107.3	V1015	Q1013-V1015 HydrophobicContact CB-CG2 4.14Å
1014	S	30.8	Very low	30.5	Very low	115 Å²	115	122.4 Å²	122.4	80%	0.804	70%	0.704	S	S	*	*			trans	-97.1	81.7	136.2	54.3	0	0	0	0	104.7
1015	V	32.9	Very low	31	Very low	89 Å²	89	122.9 Å²	122.9	54%	0.539	71%	0.707	S	S	.	*				48.6	83	90.8	-175.4	0	0	0	0	109.6	Q1013 N1017	Q1013-V1015 HydrophobicContact CB-CG2 4.14Å; V1015-N1017 VanDerWaalsContact CG1-OD1 3.27Å; V1015-N1017 WeakPolarHBondContact CG1-OD1 3.21Å; V1015-N1017 PolarHBondContact O-N 3.34Å
1016	S	29	Very low	31.2	Very low	104 Å²	104	122.4 Å²	122.4	73%	0.727	71%	0.71	S	S	*	*			trans	-60.4	105.9	150.8	46.7	0	0	0	0	108.3	N1018	S1016-N1018 PolarHBondContact O-N 3.49Å; S1016-N1018 VanDerWaalsContact O-N 3.15Å
1017	N	30.1	Very low	31.5	Very low	149 Å²	149	122.2 Å²	122.2	80%	0.797	71%	0.713	S	S	*	*			trans	-73.6	100.1	171.9	-85.9	-11.9	0	0	0	109.3	V1015	V1015-N1017 VanDerWaalsContact CG1-OD1 3.27Å; V1015-N1017 WeakPolarHBondContact CG1-OD1 3.21Å; V1015-N1017 PolarHBondContact O-N 3.34Å
1018	N	32.9	Very low	31.7	Very low	133 Å²	133	122.2 Å²	122.2	71%	0.711	72%	0.715	S	S	*	*			trans	-82.6	133.1	165.8	-79.9	5.1	0	0	0	110.5	S1016	S1016-N1018 PolarHBondContact O-N 3.49Å; S1016-N1018 VanDerWaalsContact O-N 3.15Å
1019	N	33.4	Very low	31.8	Very low	164 Å²	164	119.6 Å²	119.6	88%	0.877	72%	0.718	S	S	*	*			trans	66.7	131	154.9	-55.2	-9.8	0	0	0	118.9
1020	G	34.2	Very low	32	Very low	74 Å²	74	118 Å²	118	76%	0.763	72%	0.72	S	S	*	*			trans	152.8	86.9	172.4	0	0	0	0	0	115
1021	S	37.1	Very low	32.1	Very low	72 Å²	72	118.6 Å²	118.6	50%	0.503	72%	0.724	S	S	.	*			trans	-58.3	157.8	172.1	-28.6	0	0	0	0	111.8	N1145	S1021-N1145 PolarHBondContact O-N 3.29Å; S1021-N1145 PolarHBondContact O-OD1 3.26Å
1022	R	35.2	Very low	32.3	Very low	156 Å²	156	123.7 Å²	123.7	59%	0.589	73%	0.732	S	S	*	*	B	Isolated β-bridge	cis	-163.9	-71.3	-4.5	-134.6	171.8	174.6	-175.7	1.2	110.3	N1145 E1146 S1147	R1022-N1145 VanDerWaalsContact CB-C 3.46Å; R1022-N1145 VanDerWaalsContact CB-O 3.29Å; R1022-N1145 WeakPolarHBondContact CB-O 3.43Å; R1022-E1146 WeakPolarHBondContact CD-O 3.4Å; R1022-E1146 PolarHBondContact NH1-O 3.24Å; R1022-S1147 PolarHBondContact NH1-O 2.97Å
1023	C	33.2	Very low	32.3	Very low	76 Å²	76	121.5 Å²	121.5	51%	0.514	72%	0.723	S	S	.	*			trans	-161.2	123.8	-155	-66.3	0	0	0	0	118.8	P1144 N1145	C1023-P1144 CarbonylContact C-O 3.57Å; C1023-P1144 PolarHBondContact N-O 3.16Å; C1023-N1145 WeakPolarHBondContact CA-O 3.48Å; C1023-N1145 PolarHBondContact N-O 3.34Å
1024	S	32.4	Very low	32.6	Very low	95 Å²	95	119.7 Å²	119.7	66%	0.664	72%	0.718	S	S	*	*			trans	85.7	159.3	133.6	-48.9	0	0	0	0	119.9	N1143	S1024-N1143 PolarHBondContact N-O 3.22Å; S1024-N1143 VanDerWaalsContact N-O 3.08Å
1025	S	36.9	Very low	32.7	Very low	99 Å²	99	122.4 Å²	122.4	69%	0.692	72%	0.718	S	S	*	*			cis	-155.5	155.8	12.7	86.6	0	0	0	0	117.1
1026	T	32.9	Very low	32.5	Very low	126 Å²	126	123.6 Å²	123.6	77%	0.773	73%	0.731	S	S	*	*			trans	80.4	152.4	141.6	-38	0	0	0	0	123.2
1027	V	34.1	Very low	32.6	Very low	115 Å²	115	124.2 Å²	124.2	70%	0.697	74%	0.735	S	S	*	*			trans	97.9	94.8	160.3	-167.1	0	0	0	0	120.1
1028	Q	33.5	Very low	32.7	Very low	171 Å²	171	125.5 Å²	125.5	80%	0.799	74%	0.736	S	S	*	*			trans	47.7	118.9	130.6	-64.2	172.3	-6.4	0	0	120.7
1029	T	29.3	Very low	32.7	Very low	123 Å²	123	128.7 Å²	128.7	76%	0.755	74%	0.74	S	S	*	*				85.2	104.7	54.2	61.3	0	0	0	0	117.2
1030	T	32.9	Very low	32.5	Very low	134 Å²	134	125.6 Å²	125.6	82%	0.822	73%	0.731	S	S	*	*			trans	176.5	110	139.7	40.4	0	0	0	0	107.8
1031	S	30.1	Very low	32.4	Very low	103 Å²	103	131.2 Å²	131.2	72%	0.72	73%	0.73	S	S	*	*				68.3	98.5	70.1	74	0	0	0	0	115.5
1032	I	32.7	Very low	32.2	Very low	181 Å²	181	133.5 Å²	133.5	93%	0.928	74%	0.744	S	S	*	*			trans	-158.7	146.6	146.6	-98.8	151	0	0	0	106.9
1033	S	29	Very low	32.2	Very low	97 Å²	97	131.9 Å²	131.9	68%	0.678	75%	0.751	S	S	*	*			trans	-128.4	139.3	178.3	55	0	0	0	0	110.1
1034	N	32.4	Very low	32	Very low	137 Å²	137	133.2 Å²	133.2	73%	0.733	77%	0.767	S	S	*	*			trans	-177.3	167.3	137.9	-105.9	16.3	0	0	0	114.4
1035	E	32.1	Very low	32.2	Very low	172 Å²	172	137.3 Å²	137.3	80%	0.804	77%	0.773	S	S	*	*			trans	69.8	112.1	152.6	-79.8	150.9	-123.9	0	0	121.1
1036	S	29.5	Very low	32.1	Very low	114 Å²	114	139 Å²	139	80%	0.797	78%	0.779	S	S	*	*			trans	-77.2	148.3	164.1	53.2	0	0	0	0	112.5
1037	S	31.4	Very low	32.1	Very low	117 Å²	117	138.3 Å²	138.3	82%	0.818	78%	0.777	S	S	*	*			trans	-146.6	140.6	157	-81.3	0	0	0	0	111
1038	Q	31.2	Very low	32	Very low	176 Å²	176	144.4 Å²	144.4	82%	0.822	79%	0.787	S	S	*	*			trans	-93.3	150.3	177.8	-64.4	173.6	-15.4	0	0	110.1
1039	Y	32.5	Very low	32	Very low	201 Å²	201	143 Å²	143	79%	0.788	78%	0.784	S	S	*	*			trans	-126.8	129	160	-93.5	-85.6	0	0	0	110.6	Y1041	Y1039-Y1041 HydrophobicContact CD1-CE2 4.2Å
1040	S	29.6	Very low	32	Very low	98 Å²	98	145.8 Å²	145.8	69%	0.685	79%	0.788	S	S	*	*			trans	-126.4	136.1	-174.1	-62.9	0	0	0	0	109.4
1041	Y	33.1	Very low	32.1	Very low	193 Å²	193	146.8 Å²	146.8	76%	0.757	79%	0.787	S	S	*	*			trans	-130.3	149.2	175.2	-77.4	-76.3	0	0	0	109.9	Y1039	Y1039-Y1041 HydrophobicContact CD1-CE2 4.2Å
1042	P	32.1	Very low	32.2	Very low	120 Å²	120	146.8 Å²	146.8	78%	0.779	78%	0.784	S	S	*	*				-97.7	134.5	-96.1	30.1	-37.6	0	0	0	114.6	A1044	P1042-A1044 PolarHBondContact O-N 3.33Å
1043	T	34.6	Very low	32.3	Very low	121 Å²	121	146.5 Å²	146.5	74%	0.742	78%	0.779	S	S	*	*			trans	-87.6	103.3	166.5	-53.7	0	0	0	0	109.9	K1045	T1043-K1045 HydrophobicContact CG2-CG 4.03Å; T1043-K1045 PolarHBondContact O-N 3.28Å
1044	A	30.9	Very low	32.6	Very low	104 Å²	104	146.9 Å²	146.9	86%	0.86	78%	0.782	S	S	*	*			trans	-73.8	71.1	172.8	0	0	0	0	0	112	P1042	P1042-A1044 PolarHBondContact O-N 3.33Å
1045	K	35.4	Very low	32.7	Very low	181 Å²	181	148 Å²	148	79%	0.787	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-79.5	117	165.8	-88.7	-179.2	178.8	-178	0	109.3	T1043 P1047	T1043-K1045 HydrophobicContact CG2-CG 4.03Å; T1043-K1045 PolarHBondContact O-N 3.28Å; K1045-P1047 WeakPolarHBondContact O-CD 3.46Å
1046	V	34.3	Very low	32.8	Very low	136 Å²	136	146.4 Å²	146.4	82%	0.824	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-62.3	121.3	167.8	177.3	0	0	0	0	108.8	R1048	V1046-R1048 PolarHBondContact O-N 2.81Å
1047	P	34	Very low	33	Very low	111 Å²	111	151.3 Å²	151.3	72%	0.721	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-77.2	116	172	30.6	-30.9	0	0	0	108.9	K1045	K1045-P1047 WeakPolarHBondContact O-CD 3.46Å
1048	R	31.8	Very low	33.2	Very low	242 Å²	242	148.9 Å²	148.9	91%	0.913	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-82.9	120.7	161.3	-160.5	172.1	-160.7	156.2	6.9	107.8	V1046 E1050	V1046-R1048 PolarHBondContact O-N 2.81Å; R1048-E1050 PolarHBondContact O-N 3.07Å
1049	I	33.4	Very low	33.4	Very low	141 Å²	141	145.7 Å²	145.7	72%	0.723	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-68.9	123.3	-177.4	-61.3	161.8	0	0	0	109	I1051	I1049-I1051 HydrophobicContact CG2-CG1 3.94Å
1050	E	29	Very low	33.6	Very low	183 Å²	183	141.1 Å²	141.1	86%	0.855	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-92.4	135.4	156.3	-71.9	-171.7	162.9	0	0	108.7	R1048 P1052	R1048-E1050 PolarHBondContact O-N 3.07Å; E1050-P1052 WeakPolarHBondContact O-CD 3.38Å
1051	I	35.3	Very low	34	Very low	155 Å²	155	141.7 Å²	141.7	80%	0.795	77%	0.769	S	S	*	*			trans	-106.8	111.4	179.5	-56.4	173.9	0	0	0	108.2	I1049	I1049-I1051 HydrophobicContact CG2-CG1 3.94Å
1052	P	31.4	Very low	34.2	Very low	102 Å²	102	138 Å²	138	66%	0.662	77%	0.767	S	S	*	*			trans	-92.1	132.2	165	33.6	-28.9	0	0	0	110.3	E1050	E1050-P1052 WeakPolarHBondContact O-CD 3.38Å
1053	H	35.1	Very low	34.5	Very low	176 Å²	176	141.2 Å²	141.2	82%	0.815	77%	0.771	S	S	*	*			trans	-176.9	121.1	147.1	-96.8	-57.3	0	0	0	113
1054	S	35.1	Very low	34.6	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	77%	0.771	S	S	*	*			trans	64.6	161.3	154.8	81.7	0	0	0	0	117.9
1055	Q	34.7	Very low	34.8	Very low	160 Å²	160	145 Å²	145	75%	0.748	78%	0.775	S	S	*	*			cis	-167.5	168.8	-39.8	-114	168.7	-22.5	0	0	108.3
1056	H	34.2	Very low	34.7	Very low	139 Å²	139	139.7 Å²	139.7	64%	0.644	77%	0.771	S	S	*	*			trans	76.4	103	157.7	-61.8	-45.4	0	0	0	122.9
1057	Y	34.3	Very low	34.5	Very low	217 Å²	217	137.9 Å²	137.9	85%	0.851	76%	0.764	S	S	*	*				69.3	141.6	124.1	-68.9	-61.5	0	0	0	124.7
1058	G	34.6	Very low	34.5	Very low	65 Å²	65	143.2 Å²	143.2	67%	0.67	77%	0.772	S	S	*	*			trans	116.5	80.4	170.6	0	0	0	0	0	112.9
1059	S	36.8	Very low	34.5	Very low	110 Å²	110	136.1 Å²	136.1	77%	0.769	76%	0.759	S	S	*	*				64.1	128	73.2	-50.5	0	0	0	0	112.7
1060	S	36.1	Very low	34.3	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	76%	0.759	S	S	*	*			cis	-157.6	152.1	25.4	-41.7	0	0	0	0	114.7
1061	S	38.7	Very low	34.5	Very low	109 Å²	109	132.9 Å²	132.9	76%	0.762	75%	0.749	S	S	*	*			trans	40.6	147.9	133.4	69.6	0	0	0	0	122.7
1062	T	37	Very low	34.2	Very low	117 Å²	117	132.2 Å²	132.2	72%	0.718	75%	0.747	S	S	*	*			cis	-147.2	140.1	20.2	42.5	0	0	0	0	111.2
1063	Q	38.4	Very low	34.3	Very low	187 Å²	187	132.3 Å²	132.3	87%	0.874	75%	0.75	S	S	*	*				54.4	146	93.1	-55.8	-173.8	-1.3	0	0	116.5
1064	S	35.3	Very low	34.1	Very low	106 Å²	106	129.7 Å²	129.7	74%	0.741	75%	0.752	S	S	*	*			cis	-153.1	133.2	16.6	52	0	0	0	0	112
1065	Q	35.6	Very low	34	Very low	199 Å²	199	128 Å²	128	93%	0.93	75%	0.751	S	S	*	*				70.8	143.6	95.8	-73.2	-146.2	2.1	0	0	120.7
1066	G	32.6	Very low	33.9	Very low	69 Å²	69	130.6 Å²	130.6	71%	0.711	76%	0.755	S	S	*	*			trans	110.4	109.4	169.2	0	0	0	0	0	113.7
1067	S	32.1	Very low	33.8	Very low	97 Å²	97	130.1 Å²	130.1	68%	0.678	76%	0.758	S	S	*	*			cis	110.5	146.6	20.2	-65.2	0	0	0	0	112.6
1068	Y	32.8	Very low	33.9	Very low	223 Å²	223	125.2 Å²	125.2	88%	0.875	76%	0.755	S	S	*	*			trans	71.8	157.6	-178.4	-48.2	-73.5	0	0	0	116.8
1069	S	31.3	Very low	33.7	Very low	94 Å²	94	126.7 Å²	126.7	66%	0.657	76%	0.755	S	S	*	*			cis	-170.7	149.3	-42.2	-98.7	0	0	0	0	110.8
1070	N	30.6	Very low	33.6	Very low	134 Å²	134	131.3 Å²	131.3	72%	0.717	76%	0.756	S	S	*	*			trans	63	133.1	150.3	-74.5	5	0	0	0	123.2
1071	N	32.2	Very low	33.4	Very low	121 Å²	121	134.4 Å²	134.4	65%	0.647	75%	0.751	S	S	*	*			trans	75.1	111.7	132.6	-63	-6.5	0	0	0	123.3
1072	N	30	Very low	33.2	Very low	142 Å²	142	137.5 Å²	137.5	76%	0.759	75%	0.748	S	S	*	*				76.8	159.7	122.3	-68.7	-16.3	0	0	0	123.1
1073	S	32.8	Very low	33	Very low	103 Å²	103	137.1 Å²	137.1	72%	0.72	75%	0.746	S	S	*	*			trans	72.6	88.1	153	28.7	0	0	0	0	119.9
1074	S	31.5	Very low	32.7	Very low	121 Å²	121	135 Å²	135	85%	0.846	74%	0.74	S	S	*	*				35.9	120.7	118	60.9	0	0	0	0	120.4
1075	G	31.8	Very low	32.5	Very low	70 Å²	70	135.1 Å²	135.1	72%	0.722	74%	0.741	S	S	*	*			trans	-165	99.9	167.7	0	0	0	0	0	116.9
1076	Y	34	Very low	32.6	Very low	214 Å²	214	130.8 Å²	130.8	84%	0.839	73%	0.73	S	S	*	*			trans	39.5	124.1	141.9	-70.5	-83.5	0	0	0	124.2
1077	N	31.1	Very low	32.6	Very low	130 Å²	130	133.2 Å²	133.2	70%	0.695	74%	0.736	S	S	*	*				43.7	116.8	129.7	-61.7	-1.6	0	0	0	122
1078	S	35.7	Very low	32.5	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	74%	0.738	S	S	*	*				179.8	135.1	100	-77.1	0	0	0	0	110.8
1079	S	32.2	Very low	32.6	Very low	97 Å²	97	126.2 Å²	126.2	68%	0.678	73%	0.731	S	S	*	*			cis	91.5	84.7	37.3	-69.5	0	0	0	0	115.8
1080	R	34.4	Very low	32.6	Very low	206 Å²	206	129 Å²	129	78%	0.777	74%	0.738	S	S	*	*				172.8	132.3	122.4	-87.2	150	-162.3	-124.4	3.1	111.1
1081	R	32.2	Very low	33	Very low	170 Å²	170	127.4 Å²	127.4	64%	0.642	74%	0.735	S	S	*	*				55.7	140.4	97.7	-45.2	-178	-164.6	173.8	2.4	113.8
1082	Y	33.5	Very low	32.8	Very low	174 Å²	174	132.5 Å²	132.5	68%	0.682	75%	0.747	S	S	*	*			cis	-152.8	121	30.2	-95.7	-79.8	0	0	0	110.4
1083	T	32.4	Very low	32.9	Very low	110 Å²	110	132.7 Å²	132.7	68%	0.675	75%	0.753	S	S	*	*				80.5	141.4	104.1	58.1	0	0	0	0	120.6
1084	N	32.3	Very low	32.7	Very low	142 Å²	142	138 Å²	138	76%	0.759	76%	0.759	S	S	*	*			trans	82.7	91.4	154.9	-59.7	-7.6	0	0	0	121.4
1085	S	30.7	Very low	32.8	Very low	108 Å²	108	141 Å²	141	76%	0.755	76%	0.76	S	S	*	*				18.7	157.8	104.6	-52.7	0	0	0	0	121.2
1086	P	38.9	Very low	32.7	Very low	108 Å²	108	141.6 Å²	141.6	70%	0.701	75%	0.753	S	S	*	*			cis	-143.1	179.1	-22.3	37.8	-18.7	0	0	0	116.3
1087	S	32	Very low	32.5	Very low	120 Å²	120	138.3 Å²	138.3	84%	0.839	75%	0.75	S	S	*	*			trans	66	150.9	150.8	65.5	0	0	0	0	120.8
1088	G	31.1	Very low	32.6	Very low	70 Å²	70	140.3 Å²	140.3	72%	0.722	76%	0.758	S	S	*	*			trans	158.4	14.8	165.9	0	0	0	0	0	124.7
1089	S	33.1	Very low	32.3	Very low	103 Å²	103	140.1 Å²	140.1	72%	0.72	75%	0.753	S	S	*	*			trans	43.6	132.9	157.8	61.5	0	0	0	0	124
1090	N	31.7	Very low	32.4	Very low	153 Å²	153	145.4 Å²	145.4	82%	0.818	76%	0.758	S	S	*	*			trans	73.7	161.6	146	-64.4	-7.7	0	0	0	120
1091	P	39.3	Very low	32.3	Very low	101 Å²	101	142.8 Å²	142.8	66%	0.656	75%	0.754	S	S	*	*			cis	-140.3	176.7	-46.6	41.6	-25.9	0	0	0	114.8
1092	Y	28.6	Very low	32.1	Very low	228 Å²	228	143.3 Å²	143.3	89%	0.894	77%	0.766	S	S	*	*			trans	31.2	111.8	158.3	-66.9	-68.4	0	0	0	121.7
1093	T	31.9	Very low	32.3	Very low	145 Å²	145	140.8 Å²	140.8	89%	0.89	77%	0.771	S	S	*	*			trans	-147.3	149.6	136.3	-31.5	0	0	0	0	111.2
1094	Y	28.4	Very low	32.3	Very low	215 Å²	215	140 Å²	140	84%	0.843	77%	0.77	S	S	*	*			trans	-71.6	143.9	167.1	-85.8	-123.9	0	0	0	111
1095	H	33.4	Very low	32.3	Very low	185 Å²	185	141 Å²	141	86%	0.856	78%	0.776	S	S	*	*				-166.7	168.7	110.9	-116.5	-84.6	0	0	0	112.5
1096	S	29.4	Very low	32.3	Very low	82 Å²	82	139.4 Å²	139.4	57%	0.573	78%	0.776	S	S	*	*			trans	-109.1	157.7	-164.5	42.5	0	0	0	0	114.6
1097	N	30	Very low	31.8	Very low	145 Å²	145	144.8 Å²	144.8	78%	0.775	78%	0.784	S	S	*	*			trans	58.6	129.5	157.2	-57.3	-0	0	0	0	119.3
1098	I	33.3	Very low	31.7	Very low	171 Å²	171	147.8 Å²	147.8	88%	0.877	79%	0.785	S	S	*	*				-164.1	133.1	119.1	-100.7	155.5	0	0	0	112.3
1099	T	30.2	Very low	31.6	Very low	110 Å²	110	149.2 Å²	149.2	68%	0.675	78%	0.783	S	S	*	*			trans	-52	148.6	177.4	-45.2	0	0	0	0	116.2
1100	R	33.7	Very low	31.5	Very low	208 Å²	208	152.3 Å²	152.3	79%	0.785	79%	0.792	S	S	*	*			trans	155.2	146.6	143.3	-84.5	161.8	-165.2	-86.5	1.9	109.5
1101	Q	32.5	Very low	31.4	Very low	150 Å²	150	155.4 Å²	155.4	70%	0.701	79%	0.792	S	S	*	*			cis	-155.3	143.4	-8.9	-126.5	162.5	-57.3	0	0	107.9
1102	M	28.7	Very low	31.1	Very low	182 Å²	182	158 Å²	158	90%	0.897	80%	0.8	S	S	*	*			trans	-74.1	146.1	167.9	-77.5	-74.8	-166.6	0	0	110.7
1103	P	37.9	Very low	31.2	Very low	121 Å²	121	151.6 Å²	151.6	79%	0.786	78%	0.784	S	S	*	*			trans	-107.9	116.4	140.1	2.5	17.7	0	0	0	109.1
1104	S	30.5	Very low	31	Very low	94 Å²	94	150.6 Å²	150.6	66%	0.657	78%	0.783	S	S	*	*			trans	-69	152.5	148.5	57.4	0	0	0	0	108.9
1105	D	32.6	Very low	31.2	Very low	162 Å²	162	145.5 Å²	145.5	87%	0.866	78%	0.779	S	S	*	*			trans	142.3	166.7	144.2	-71.9	-0.2	0	0	0	111.9
1106	G	30.4	Very low	31.1	Very low	75 Å²	75	142.5 Å²	142.5	77%	0.773	77%	0.774	S	S	*	*			trans	101.3	74.6	162.3	0	0	0	0	0	116.2
1107	Y	28.9	Very low	31	Very low	220 Å²	220	147 Å²	147	86%	0.863	78%	0.784	S	S	*	*			trans	-58	138.1	150.2	-81.1	-110.1	0	0	0	109.3
1108	H	30.6	Very low	30.9	Very low	184 Å²	184	148.2 Å²	148.2	85%	0.852	78%	0.784	S	S	*	*				-162.8	123.7	118.9	-115.6	-73.3	0	0	0	113
1109	S	28.7	Very low	30.8	Very low	99 Å²	99	145.3 Å²	145.3	69%	0.692	78%	0.779	S	S	*	*			trans	-71	147.2	160.3	-47	0	0	0	0	109.6
1110	N	31.7	Very low	30.8	Very low	168 Å²	168	143.3 Å²	143.3	90%	0.898	78%	0.78	S	S	*	*			trans	-125.1	114.1	156.7	-119	-23.1	0	0	0	109.9
1111	R	28.4	Very low	30.6	Very low	218 Å²	218	142.9 Å²	142.9	82%	0.823	79%	0.787	S	S	*	*			trans	-105.3	127.1	-178.9	171	-157.2	-80.5	-162.6	-4.1	107.8
1112	L	33.3	Very low	30.6	Very low	157 Å²	157	141 Å²	141	82%	0.822	79%	0.79	S	S	*	*			trans	-124.9	102.2	160.6	-67.8	174.4	0	0	0	106.7
1113	T	31.6	Very low	30.9	Very low	92 Å²	92	136.8 Å²	136.8	56%	0.564	78%	0.779	S	S	*	*				59.1	109.1	88	62.5	0	0	0	0	111
1114	S	26.9	Very low	30.7	Very low	124 Å²	124	136.9 Å²	136.9	87%	0.867	77%	0.773	S	S	*	*			cis	66.6	66.1	35.8	-42.4	0	0	0	0	114.4
1115	S	33.3	Very low	30.9	Very low	108 Å²	108	139.1 Å²	139.1	76%	0.755	77%	0.772	S	S	*	*			trans	-146.9	122.6	150.5	46.3	0	0	0	0	106.7
1116	T	30.8	Very low	30.9	Very low	122 Å²	122	138.6 Å²	138.6	75%	0.748	76%	0.763	S	S	*	*			cis	86.4	92.4	49.4	-60.1	0	0	0	0	112.4
1117	F	26.5	Very low	30.8	Very low	178 Å²	178	144.5 Å²	144.5	78%	0.781	76%	0.763	S	S	*	*			trans	59.5	151.9	150.2	-78.8	-102.1	0	0	0	121.7
1118	H	29.6	Very low	31	Very low	169 Å²	169	140.9 Å²	140.9	78%	0.782	75%	0.754	S	S	*	*			trans	69	151.9	160.8	-65.2	-20.1	0	0	0	117.4
1119	S	30	Very low	30.9	Very low	111 Å²	111	138.2 Å²	138.2	78%	0.776	75%	0.746	S	S	*	*			cis	-170.9	163.4	-16.3	48.7	0	0	0	0	110.4
1120	G	30.5	Very low	30.9	Very low	67 Å²	67	141 Å²	141	69%	0.691	75%	0.748	S	S	*	*			trans	94.9	119.3	172.5	0	0	0	0	0	112.1
1121	Q	29	Very low	31	Very low	200 Å²	200	140.3 Å²	140.3	94%	0.935	74%	0.739	S	S	*	*			cis	77.2	92.8	42.6	-60.5	-175.5	-16.4	0	0	115.4
1122	S	33.5	Very low	31.5	Very low	109 Å²	109	136.5 Å²	136.5	76%	0.762	74%	0.74	S	S	*	*				-158.7	122	126	28	0	0	0	0	106.7
1123	S	33.5	Very low	31.3	Very low	95 Å²	95	134.5 Å²	134.5	66%	0.664	74%	0.737	S	S	*	*				70	131.1	73.5	105.1	0	0	0	0	110.2
1124	D	33.6	Very low	31.3	Very low	123 Å²	123	137.5 Å²	137.5	66%	0.658	75%	0.749	S	S	*	*			cis	-160	173.2	12	-76.5	-52.2	0	0	0	109.2
1125	H	34.9	Very low	31.6	Very low	140 Å²	140	135.7 Å²	135.7	65%	0.648	74%	0.742	S	S	*	*			cis	-164.1	-175.5	-1.4	-125.2	-22.6	0	0	0	113.2
1126	F	33.3	Very low	31.4	Very low	152 Å²	152	135.3 Å²	135.3	67%	0.667	74%	0.739	S	S	*	*			trans	42.6	112	152.8	-64.9	-60.4	0	0	0	125.4
1127	Y	29.3	Very low	31.3	Very low	198 Å²	198	133.3 Å²	133.3	78%	0.776	73%	0.73	S	S	*	*				36.3	141.1	110.2	-76	-100	0	0	0	120.6
1128	H	31.9	Very low	31.4	Very low	144 Å²	144	135 Å²	135	67%	0.667	73%	0.732	S	S	*	*			cis	-165.4	149.1	-8.8	-153.3	-21.3	0	0	0	110.8
1129	N	28.3	Very low	31.3	Very low	129 Å²	129	137.8 Å²	137.8	69%	0.69	74%	0.737	S	S	*	*			trans	78.2	145	149.1	-95.3	7.7	0	0	0	123.2
1130	E	28.2	Very low	31.3	Very low	157 Å²	157	137.5 Å²	137.5	73%	0.734	74%	0.735	S	S	*	*			trans	89.4	146.9	147.9	-114.4	174.6	-115.9	0	0	122.5
1131	H	35.3	Very low	31.2	Very low	153 Å²	153	144.4 Å²	144.4	71%	0.708	74%	0.741	S	S	*	*			trans	75.6	134.8	171.6	-71.7	74.2	0	0	0	121.2
1132	T	37.5	Very low	31.3	Very low	138 Å²	138	144 Å²	144	85%	0.847	73%	0.733	S	S	*	*			trans	70.2	116.3	170.5	62.2	0	0	0	0	119.4
1133	P	30.6	Very low	31.1	Very low	115 Å²	115	143.7 Å²	143.7	75%	0.747	72%	0.722	S	S	*	*			trans	-112.3	154.7	179.4	40.1	-32.7	0	0	0	115.3
1134	N	31.8	Very low	31.3	Very low	155 Å²	155	142.1 Å²	142.1	83%	0.829	71%	0.71	S	S	*	*			trans	179.9	113.2	130.5	-90.8	-27.7	0	0	0	108.3
1135	A	32.4	Very low	31.2	Very low	86 Å²	86	141 Å²	141	71%	0.711	70%	0.704	S	S	*	*				75.8	129	57	0	0	0	0	0	113.6
1136	S	29.4	Very low	31.1	Very low	101 Å²	101	141.6 Å²	141.6	71%	0.706	71%	0.707	S	S	*	*			cis	-165.1	155.6	-16.3	-160.8	0	0	0	0	113.1
1137	S	29	Very low	31	Very low	80 Å²	80	139.7 Å²	139.7	56%	0.559	71%	0.713	S	S	*	*			trans	-51.3	154.8	144.6	59.9	0	0	0	0	111.1
1138	R	27.8	Very low	31.2	Very low	214 Å²	214	133.2 Å²	133.2	81%	0.808	71%	0.706	S	S	*	*				-165	164.8	51.6	-66	166	-158.3	157.3	7.3	106.5
1139	Y	28.7	Very low	31.1	Very low	226 Å²	226	133 Å²	133	89%	0.886	71%	0.71	S	S	*	*				39.2	138.1	77.3	-98.5	-89.8	0	0	0	117
1140	S	28.7	Very low	31.4	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	72%	0.719	S	S	*	*			trans	98	97.2	159.8	-53.2	0	0	0	0	121.9
1141	Y	29.5	Very low	31.4	Very low	212 Å²	212	133.8 Å²	133.8	83%	0.831	72%	0.719	S	S	*	*				27.8	127.1	127.7	-82.6	-108.6	0	0	0	123.9
1142	Y	29.6	Very low	31.4	Very low	192 Å²	192	133.7 Å²	133.7	75%	0.753	72%	0.722	S	S	*	*			trans	79.7	112.4	133.8	-95.9	-119.2	0	0	0	125.4
1143	N	30.2	Very low	31.2	Very low	102 Å²	102	132.9 Å²	132.9	55%	0.545	71%	0.713	S	S	.	*				58	177.4	125.5	-91.8	13.6	0	0	0	123.3	S1024	S1024-N1143 PolarHBondContact N-O 3.22Å; S1024-N1143 VanDerWaalsContact N-O 3.08Å
1144	P	38.2	Very low	31.2	Very low	63 Å²	63	134.9 Å²	134.9	41%	0.409	72%	0.717	S	S	.	*			cis	-135.1	164.3	-43	38	-22	0	0	0	115	C1023	C1023-P1144 CarbonylContact C-O 3.57Å; C1023-P1144 PolarHBondContact N-O 3.16Å
1145	N	31	Very low	31.3	Very low	98 Å²	98	131.3 Å²	131.3	52%	0.524	71%	0.709	S	S	.	*	B	Isolated β-bridge	trans	48.9	161	-179.1	-63.8	-37.7	0	0	0	117.1	S1021 R1022 C1023	S1021-N1145 PolarHBondContact O-N 3.29Å; S1021-N1145 PolarHBondContact O-OD1 3.26Å; R1022-N1145 VanDerWaalsContact CB-C 3.46Å; R1022-N1145 VanDerWaalsContact CB-O 3.29Å; R1022-N1145 WeakPolarHBondContact CB-O 3.43Å; C1023-N1145 WeakPolarHBondContact CA-O 3.48Å; C1023-N1145 PolarHBondContact N-O 3.34Å
1146	E	32.4	Very low	31.3	Very low	153 Å²	153	133.4 Å²	133.4	72%	0.715	71%	0.709	S	S	*	*			cis	-136.8	-176.8	25.4	-61.6	179	125.4	0	0	113.7	R1022	R1022-E1146 WeakPolarHBondContact CD-O 3.4Å; R1022-E1146 PolarHBondContact NH1-O 3.24Å
1147	S	31.6	Very low	31.2	Very low	112 Å²	112	139 Å²	139	78%	0.783	71%	0.714	S	S	*	*			trans	-64.1	-176.4	-175.1	50.2	0	0	0	0	117.8	R1022	R1022-S1147 PolarHBondContact NH1-O 2.97Å
1148	G	32.9	Very low	31.4	Very low	63 Å²	63	141.3 Å²	141.3	65%	0.649	73%	0.725	S	S	*	*			trans	155.7	85.4	167.6	0	0	0	0	0	114.4
1149	N	30.5	Very low	31.3	Very low	140 Å²	140	140.6 Å²	140.6	75%	0.749	72%	0.724	S	S	*	*			trans	-63.2	155.7	177.6	-70.4	1.2	0	0	0	113.2
1150	N	33.9	Very low	31.5	Very low	163 Å²	163	135.9 Å²	135.9	87%	0.872	72%	0.722	S	S	*	*				-166	137.9	111.3	-92.1	-29	0	0	0	111.9
1151	N	29.6	Very low	31.5	Very low	138 Å²	138	139.1 Å²	139.1	74%	0.738	72%	0.72	S	S	*	*			trans	-73.3	165.8	178.1	-61.8	-5.4	0	0	0	111.4
1152	I	34.8	Very low	31.8	Very low	151 Å²	151	135.1 Å²	135.1	77%	0.774	70%	0.704	S	S	*	*				-168.5	110.8	120.2	-98.4	155.2	0	0	0	111.8
1153	N	33.5	Very low	32	Very low	122 Å²	122	131.9 Å²	131.9	65%	0.652	71%	0.707	S	S	*	*			trans	57.8	119.6	140.1	-50.9	-6.5	0	0	0	122.1
1154	N	29.5	Very low	31.9	Very low	156 Å²	156	131.4 Å²	131.4	83%	0.834	71%	0.711	S	S	*	*				45.4	134.8	118.6	-55.1	-8.1	0	0	0	119.1
1155	A	34.9	Very low	31.5	Very low	80 Å²	80	133 Å²	133	66%	0.661	72%	0.724	S	S	*	*				-168.8	148.3	50.5	0	0	0	0	0	115.7
1156	N	31.7	Very low	31.6	Very low	130 Å²	130	140 Å²	140	70%	0.695	74%	0.743	S	S	*	*			trans	54.9	120.9	141.5	-72.2	-45.4	0	0	0	121.7
1157	R	28.3	Very low	31.5	Very low	218 Å²	218	141.5 Å²	141.5	82%	0.823	75%	0.75	S	S	*	*				56.3	141.6	126.5	-53.9	175.6	175.6	-178.1	-3.5	118.1
1158	T	31.4	Very low	31.6	Very low	130 Å²	130	140.4 Å²	140.4	80%	0.798	75%	0.748	S	S	*	*				-171.7	157.1	53.8	-45.6	0	0	0	0	110.7
1159	Y	26.9	Very low	31.5	Very low	199 Å²	199	142.8 Å²	142.8	78%	0.78	75%	0.754	S	S	*	*			trans	-55.4	141.8	164.1	-80.9	-108.7	0	0	0	113.8	Y1161	Y1159-Y1161 HydrophobicContact CD1-CD2 4.45Å
1160	C	31.9	Very low	31.4	Very low	126 Å²	126	147 Å²	147	85%	0.851	76%	0.761	S	S	*	*			trans	-154.5	112.4	145.6	-86.9	0	0	0	0	105.5
1161	Y	29.7	Very low	31.5	Very low	174 Å²	174	144.9 Å²	144.9	68%	0.682	76%	0.757	S	S	*	*				58.1	132.5	61.3	-93	-98.1	0	0	0	115.6	M646 Y1159	M646-Y1161 HydrophobicContact CE-CD1 4.01Å; M646-Y1161 HydrophobicContact CE-CE1 3.65Å; M646-Y1161 HydrophobicContact CG-CE1 4.27Å; M646-Y1161 HydrophobicContact SD-CD1 3.56Å; M646-Y1161 VanDerWaalsContact SD-CD1 3.56Å; M646-Y1161 HydrophobicContact SD-CE1 3.52Å; M646-Y1161 VanDerWaalsContact SD-CE1 3.52Å; Y1159-Y1161 HydrophobicContact CD1-CD2 4.45Å
1162	Y	35.3	Very low	31.5	Very low	127 Å²	127	144.1 Å²	144.1	50%	0.498	76%	0.757	S	S	.	*			trans	-57.7	160.7	177.6	-87.7	-96.9	0	0	0	112.7	G643 M646	G643-Y1162 WeakPolarHBondContact CA-OH 3.43Å; M646-Y1162 HydrophobicContact CE-CD2 3.98Å
1163	P	33.1	Very low	31.4	Very low	125 Å²	125	141.3 Å²	141.3	81%	0.812	75%	0.751	S	S	*	*				-139.4	151.8	99.5	37.6	-25.8	0	0	0	115.3
1164	S	30.1	Very low	31.3	Very low	91 Å²	91	142.5 Å²	142.5	64%	0.636	76%	0.757	S	S	*	*			trans	-76.2	164	176	-52.5	0	0	0	0	113.8
1165	S	29.1	Very low	31.5	Very low	96 Å²	96	141.2 Å²	141.2	67%	0.671	76%	0.76	S	S	*	*			trans	58	116.5	152.4	-163.2	0	0	0	0	119.6
1166	R	33.5	Very low	31.3	Very low	246 Å²	246	140.7 Å²	140.7	93%	0.928	76%	0.763	S	S	*	*			trans	-131.3	112.1	140.9	-76.2	-165.3	174.3	-167.4	-1.7	110.7	A1168	R1166-A1168 PolarHBondContact O-N 3.2Å
1167	H	29.6	Very low	31.3	Very low	184 Å²	184	140.6 Å²	140.6	85%	0.852	77%	0.767	S	S	*	*			trans	-59.2	129.9	159.1	-81.2	-108.9	0	0	0	109.8
1168	A	34.1	Very low	31.5	Very low	90 Å²	90	136.4 Å²	136.4	74%	0.744	76%	0.76	S	S	*	*			trans	-151.4	90.8	160.4	0	0	0	0	0	110.4	R1166	R1166-A1168 PolarHBondContact O-N 3.2Å
1169	S	31.3	Very low	31.5	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	76%	0.76	S	S	*	*			trans	31.4	121.4	140.1	-47.6	0	0	0	0	120.1	P1171	S1169-P1171 WeakPolarHBondContact O-CD 3.19Å
1170	Y	27.2	Very low	32.1	Very low	227 Å²	227	135.7 Å²	135.7	89%	0.89	76%	0.757	S	S	*	*			trans	-54.8	145	153	-70.3	-89.3	0	0	0	111.4
1171	P	35.3	Very low	32.3	Very low	120 Å²	120	137.9 Å²	137.9	78%	0.779	75%	0.754	S	S	*	*			trans	-119.6	148.8	132.9	6.9	13.5	0	0	0	111.3	S1169	S1169-P1171 WeakPolarHBondContact O-CD 3.19Å
1172	T	30.1	Very low	32.5	Very low	121 Å²	121	136 Å²	136	74%	0.742	76%	0.756	S	S	*	*			trans	-91.2	-169.1	173.8	50.6	0	0	0	0	111.6
1173	S	33.8	Very low	32.5	Very low	93 Å²	93	141.4 Å²	141.4	65%	0.65	78%	0.775	S	S	*	*			trans	74	99.3	159.9	32.6	0	0	0	0	118.9
1174	D	30.8	Very low	32.5	Very low	147 Å²	147	144.4 Å²	144.4	79%	0.786	78%	0.778	S	S	*	*				87.9	125.4	117.1	-69.4	-56	0	0	0	124.4
1175	S	32.7	Very low	32.8	Very low	128 Å²	128	148.6 Å²	148.6	90%	0.895	79%	0.793	S	S	*	*			trans	74.2	171	142.8	80.3	0	0	0	0	118.9
1176	G	31.7	Very low	32.9	Very low	70 Å²	70	149 Å²	149	72%	0.722	80%	0.795	S	S	*	*			trans	114.1	41.1	168.6	0	0	0	0	0	118.3
1177	T	32.1	Very low	33	Very low	128 Å²	128	142.9 Å²	142.9	79%	0.785	79%	0.791	S	S	*	*			trans	-40.5	146.4	161.8	39.7	0	0	0	0	115
1178	I	32	Very low	33.1	Very low	129 Å²	129	142.9 Å²	142.9	66%	0.662	79%	0.791	S	S	*	*				154.9	149.6	97.5	-134.7	157	0	0	0	116.5
1179	Y	32	Very low	33.2	Very low	204 Å²	204	146.9 Å²	146.9	80%	0.8	80%	0.798	S	S	*	*			trans	68.9	133.6	164.6	-65.7	-49.8	0	0	0	125.3
1180	P	38.5	Very low	33.2	Very low	110 Å²	110	150.9 Å²	150.9	71%	0.714	80%	0.796	S	S	*	*			trans	-122.3	-174.9	176.4	45.6	-35	0	0	0	115
1181	H	36.5	Very low	33.6	Very low	173 Å²	173	143.1 Å²	143.1	80%	0.801	79%	0.785	S	S	*	*			trans	-163.2	126.1	150.1	-112.4	-57.8	0	0	0	118.8
1182	N	33.5	Very low	34.1	Very low	133 Å²	133	142.7 Å²	142.7	71%	0.711	78%	0.782	S	S	*	*			trans	15.6	134.8	148.3	-58.1	-13.9	0	0	0	124.9
1183	R	35.4	Very low	34.3	Very low	241 Å²	241	147.6 Å²	147.6	91%	0.909	79%	0.788	S	S	*	*				177.5	109	111	-93.6	170.2	-167.9	-138	4.4	110.4
1184	Q	33.2	Very low	34.3	Very low	188 Å²	188	149.7 Å²	149.7	88%	0.879	79%	0.788	S	S	*	*				59.2	113	86	-91.1	-161.5	-11.3	0	0	118.4
1185	L	35.5	Very low	34.5	Very low	179 Å²	179	148.7 Å²	148.7	94%	0.937	79%	0.787	S	S	*	*			trans	-163.2	174.3	132.1	-111.3	165.6	0	0	0	110.9
1186	S	31.1	Very low	34.7	Very low	104 Å²	104	150.1 Å²	150.1	73%	0.727	78%	0.779	S	S	*	*			trans	-151.8	150.3	-160.2	173.6	0	0	0	0	114.2
1187	S	36.2	Very low	34.9	Very low	118 Å²	118	153.7 Å²	153.7	83%	0.825	78%	0.777	S	S	*	*			trans	-171.4	148.4	144.7	48.5	0	0	0	0	113.8
1188	H	31.3	Very low	35.1	Very low	184 Å²	184	157.7 Å²	157.7	85%	0.852	78%	0.777	S	S	*	*			trans	-87.4	166.8	168.3	-76.1	-107.2	0	0	0	112.2
1189	I	36.8	Very low	35.2	Very low	175 Å²	175	158.3 Å²	158.3	90%	0.897	78%	0.782	S	S	*	*			trans	-139.7	-177.5	140.7	-146.9	166	0	0	0	110.3
1190	R	32.3	Very low	35.4	Very low	197 Å²	197	154.4 Å²	154.4	74%	0.743	78%	0.779	S	S	*	*			trans	-141.9	137.5	-160	179	-177.7	178.4	-166.8	4	111.9	E1194	R1190-E1194 IonicContact CZ-OE2 3.14Å; R1190-E1194 IonicContact NE-OE2 3.93Å; R1190-E1194 IonicContact NH2-OE2 2.71Å; R1190-E1194 PolarHBondContact NH2-OE2 3.03Å
1191	G	35.4	Very low	35.3	Very low	64 Å²	64	156.9 Å²	156.9	66%	0.66	78%	0.783	S	S	*	*			trans	-86.1	160.6	171.9	0	0	0	0	0	113.4
1192	P	45.4	Very low	35.2	Very low	110 Å²	110	154.7 Å²	154.7	71%	0.714	78%	0.778	S	S	*	*	S	Bend	trans	-104.2	155.4	169.7	39.5	-32.2	0	0	0	111.5
1193	Y	34.7	Very low	35.2	Very low	225 Å²	225	154.8 Å²	154.8	88%	0.882	78%	0.778	S	S	*	*			cis	-125	146	13.3	-77.6	-100.3	0	0	0	112.9
1194	E	33.5	Very low	35.2	Very low	137 Å²	137	149.9 Å²	149.9	64%	0.64	78%	0.775	S	S	*	*			trans	-115.8	157.2	162.3	-72.7	176	95.9	0	0	109.7	R1190	R1190-E1194 IonicContact CZ-OE2 3.14Å; R1190-E1194 IonicContact NE-OE2 3.93Å; R1190-E1194 IonicContact NH2-OE2 2.71Å; R1190-E1194 PolarHBondContact NH2-OE2 3.03Å
1195	T	34.5	Very low	35.3	Very low	125 Å²	125	148.5 Å²	148.5	77%	0.767	77%	0.773	S	S	*	*			trans	-134.3	117.5	156.1	41.6	0	0	0	0	111.3
1196	H	36.8	Very low	35.5	Very low	159 Å²	159	145.3 Å²	145.3	74%	0.736	76%	0.763	S	S	*	*			trans	76.5	85.1	159.1	-55.3	-56.1	0	0	0	121.9
1197	H	36.7	Very low	35.6	Very low	144 Å²	144	151.6 Å²	151.6	67%	0.667	77%	0.77	S	S	*	*				78.4	122.7	110.7	-75.4	-33.2	0	0	0	123.9
1198	R	35	Very low	35.6	Very low	212 Å²	212	153.4 Å²	153.4	80%	0.8	77%	0.771	S	S	*	*				72.7	145.1	129.1	-73.9	-179.7	172.5	-179.2	-1.2	119.2
1199	N	35.2	Very low	36.3	Very low	142 Å²	142	150.8 Å²	150.8	76%	0.759	77%	0.77	S	S	*	*			cis	-171.7	177.3	-23.1	-122.3	19	0	0	0	109.9
1200	V	36.5	Very low	36.1	Very low	122 Å²	122	150.1 Å²	150.1	74%	0.739	77%	0.768	S	S	*	*			trans	85.9	102.1	160.3	-165.8	0	0	0	0	118.6
1201	M	36.5	Very low	36.3	Very low	163 Å²	163	148.3 Å²	148.3	80%	0.803	77%	0.767	S	S	*	*				36.8	149.2	120.3	-63.3	177.3	179.8	0	0	121
1202	N	35	Very low	36.4	Very low	127 Å²	127	152 Å²	152	68%	0.679	77%	0.767	S	S	*	*			cis	-161	171.3	5.6	-113.1	-8	0	0	0	112.3
1203	N	32.3	Very low	35.8	Very low	135 Å²	135	153.5 Å²	153.5	72%	0.722	77%	0.769	S	S	*	*			trans	-15.5	156.7	162.3	-47.4	-23	0	0	0	118.8
1204	T	35.5	Very low	35.8	Very low	138 Å²	138	147.3 Å²	147.3	85%	0.847	76%	0.759	S	S	*	*			cis	-167.5	166	44.4	-35.8	0	0	0	0	112.9
1205	L	35.6	Very low	35.8	Very low	159 Å²	159	148.4 Å²	148.4	83%	0.832	76%	0.764	S	S	*	*			trans	-88.6	-165.8	170.8	-58.5	166.1	0	0	0	111.4
1206	P	39	Very low	35.7	Very low	111 Å²	111	148.8 Å²	148.8	72%	0.721	76%	0.759	S	S	*	*			cis	-140.7	-171.7	-7.4	32.2	-7.6	0	0	0	117.1
1207	R	34.3	Very low	35.5	Very low	236 Å²	236	151.1 Å²	151.1	89%	0.891	76%	0.761	S	S	*	*			trans	111.3	132.4	146.5	-75.4	-173.5	169.4	-177.9	-3.4	121.6
1208	D	36.3	Very low	35.3	Very low	157 Å²	157	149.1 Å²	149.1	84%	0.84	76%	0.763	S	S	*	*			trans	-93.5	166.9	159.3	-55.9	-72.2	0	0	0	113.1
1209	P	45.1	Very low	35.2	Very low	128 Å²	128	143.7 Å²	143.7	83%	0.831	76%	0.757	S	S	*	*			trans	-130.7	154.4	152.4	37.7	-24.6	0	0	0	114.8
1210	L	32.2	Very low	35.1	Very low	162 Å²	162	143.9 Å²	143.9	85%	0.848	76%	0.758	S	S	*	*			trans	-113.7	149.4	171.3	-72	164.4	0	0	0	110.4
1211	H	37.2	Very low	35.1	Very low	158 Å²	158	146.2 Å²	146.2	73%	0.731	76%	0.764	S	S	*	*				169.3	154.6	125.9	-107	-110.7	0	0	0	118.1
1212	H	37.2	Very low	34.9	Very low	141 Å²	141	143.5 Å²	143.5	65%	0.653	76%	0.756	S	S	*	*			trans	75.7	113.6	149.3	-72.1	-50.5	0	0	0	125.4
1213	N	32.1	Very low	34.8	Very low	142 Å²	142	144.9 Å²	144.9	76%	0.759	76%	0.764	S	S	*	*				33.1	144.7	120.4	-50.3	-5.2	0	0	0	120.3
1214	S	35.1	Very low	34.9	Very low	96 Å²	96	144 Å²	144	67%	0.671	77%	0.768	S	S	*	*			cis	-174.8	147.3	46.5	-158.8	0	0	0	0	116.1
1215	Q	33.8	Very low	34.8	Very low	159 Å²	159	142.9 Å²	142.9	74%	0.743	76%	0.761	S	S	*	*			trans	67.4	136	139.7	-86.4	-177.5	21.3	0	0	126.8
1216	M	32.8	Very low	34.7	Very low	134 Å²	134	146.3 Å²	146.3	66%	0.66	77%	0.765	S	S	*	*			trans	73.4	145.9	144.1	-62.4	-72.2	178.7	0	0	120.2
1217	R	32.6	Very low	34.3	Very low	208 Å²	208	146.5 Å²	146.5	79%	0.785	77%	0.767	S	S	*	*			cis	-173.5	147	-20.7	-140.7	-172.9	-154.9	-159.7	4.5	111.1
1218	S	32.4	Very low	34.4	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	76%	0.762	S	S	*	*			trans	46.5	151.7	148.7	50.7	0	0	0	0	122.5
1219	S	33.6	Very low	34.1	Very low	97 Å²	97	139.3 Å²	139.3	68%	0.678	76%	0.764	S	S	*	*			cis	-173.7	149.7	-5.9	45.3	0	0	0	0	112.3
1220	D	32.7	Very low	33.5	Very low	146 Å²	146	138.3 Å²	138.3	78%	0.781	76%	0.761	S	S	*	*			trans	25.1	137.2	147.2	-42.3	-41.1	0	0	0	124.5
1221	M	35.5	Very low	33.6	Very low	172 Å²	172	136.7 Å²	136.7	85%	0.847	76%	0.757	S	S	*	*				-178.2	171.4	116.9	-95.7	-91.5	86.5	0	0	113
1222	T	33.2	Very low	33.3	Very low	105 Å²	105	134.7 Å²	134.7	64%	0.644	75%	0.751	S	S	*	*			trans	-121.5	172.7	-157	54.3	0	0	0	0	116.5
1223	N	32.3	Very low	33.3	Very low	157 Å²	157	133.5 Å²	133.5	84%	0.84	76%	0.759	S	S	*	*			trans	111.8	150	137.2	-85.5	-19	0	0	0	123.1
1224	S	35	Very low	33.3	Very low	115 Å²	115	136.2 Å²	136.2	80%	0.804	76%	0.759	S	S	*	*			trans	103.9	112.8	152	-154.8	0	0	0	0	120.2
1225	T	32.6	Very low	33.2	Very low	115 Å²	115	143.1 Å²	143.1	71%	0.706	77%	0.77	S	S	*	*			trans	-67.5	161.3	163.3	-32.8	0	0	0	0	112.6
1226	Y	34	Very low	33	Very low	232 Å²	232	138.3 Å²	138.3	91%	0.91	76%	0.763	S	S	*	*				-159.2	161.7	128.9	-128.5	-92.5	0	0	0	112.6
1227	C	31	Very low	33.1	Very low	115 Å²	115	141.5 Å²	141.5	78%	0.777	77%	0.774	S	S	*	*			trans	-99.7	160.9	-169.7	-58.2	0	0	0	0	114.4
1228	G	35.6	Very low	33.2	Very low	76 Å²	76	143 Å²	143	78%	0.784	79%	0.789	S	S	*	*			trans	-156.5	125.7	168.6	0	0	0	0	0	112.4
1229	N	30.3	Very low	33.2	Very low	166 Å²	166	145.1 Å²	145.1	89%	0.888	79%	0.793	S	S	*	*			trans	-90.2	161.2	-179.9	-60.9	-42	0	0	0	111.6
1230	S	32.6	Very low	33.2	Very low	107 Å²	107	147.6 Å²	147.6	75%	0.748	80%	0.799	S	S	*	*				168.6	129.6	114.8	-164.5	0	0	0	0	115
1231	V	34.3	Very low	33.2	Very low	127 Å²	127	147.7 Å²	147.7	77%	0.77	80%	0.8	S	S	*	*			trans	52.4	104.2	144.3	179.3	0	0	0	0	121.3
1232	D	30.6	Very low	33.1	Very low	116 Å²	116	146.2 Å²	146.2	62%	0.62	80%	0.797	S	S	*	*			trans	-20.7	133.4	142.7	172.7	22.2	0	0	0	117.6	R1234	D1232-R1234 PolarHBondContact OD1-N 3.02Å
1233	S	37.8	Very low	33.1	Very low	116 Å²	116	148.8 Å²	148.8	81%	0.811	81%	0.807	S	S	*	*			trans	-150.8	81.8	149.6	-82.5	0	0	0	0	113.7
1234	R	31	Very low	33.2	Very low	199 Å²	199	148.3 Å²	148.3	75%	0.751	81%	0.805	S	S	*	*			trans	28.9	125.8	134.6	-61.7	179.5	176	-165.9	-3	120.6	D1232	D1232-R1234 PolarHBondContact OD1-N 3.02Å
1235	R	32.5	Very low	33	Very low	241 Å²	241	150.6 Å²	150.6	91%	0.909	81%	0.805	S	S	*	*			trans	70.9	142.6	159	-55	169.8	178.3	-164.1	-1.8	114.9
1236	G	30.7	Very low	33.1	Very low	58 Å²	58	153.4 Å²	153.4	60%	0.598	81%	0.812	S	S	*	*			cis	161.7	-179.3	-1.7	0	0	0	0	0	110.9
1237	F	34.3	Very low	33	Very low	202 Å²	202	146.8 Å²	146.8	89%	0.886	80%	0.804	S	S	*	*			trans	71.9	132.8	-177.8	-52.8	-77.2	0	0	0	115.1
1238	H	35.2	Very low	33.2	Very low	239 Å²	239	149.7 Å²	149.7	100%	1.106	81%	0.806	S	S	*	*			cis	-146.7	0	-8.6	-156.5	-40.5	0	0	0	111.2

Retrieved 1,238 of 1,238 residues in 1068.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).