A0A5K4FCM5_SCHMA Loading...

Arrestin_N domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FCM5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 844 aa.

						>A0A5K4FCM5_SCHMA|A0A5K4FCM5
MSNTCITYKDVNMTELKKRIHLDIILDSSILPVCFSGQLIHGYVYLETKEALSIQILQVELLGRGVVVTPYKKIFSSKHFIKGWTKERKSLQQKFPFYQGVGCIISGINGPVDPEILQTRLKCKSMKGFNKLIPTFQTVNEEIYCSMNSTLIGGGIPGTCELILAGKRYYPFEFELPAACPCSFVGSRGSIEYRLRVYLLLSNGEQLCADKGLKVLRKTIINKMMVIPSTLACPPITRNYVSSFDQFISSGSNTVKFTNLSRTCSRLSNLCKKETENILDEYDNSEEKLIEKNSVLDSTFTNDYIPDHLSSLGQSGYSNTDLDDTTKLTKYSLSSCLNDSHQSNPYLNSMQSTEDESQYPNGENDQNNNSMQSLCKPHFNRTMKMKKTLYNSLSKTTLTVQRCSDNPYPLPSTWISQSYVSSHAIYPTTCLGAQTGYPISCRLTVSQRQLNPGSRLTACLSLLVEDPFALLLAPSLNGMSNDLNWCAKFNTNINSCKKDLWSPLARAFVSYYLEDCIRQKFGKQPNGIWWSGYVKQPHRIFLVLRQVITYRDWTHRVIAQEERDVYSGEMRKRPTSEKHLLRVALEHTFHIPSLPPTGLEGCSCIDVAYNLGLVSFKLKKLKHPLKVTKWILENDIASVKPDKFMEFVYMHETCSSSNGTYELMSKKPQIITFQQCERGKEKEFKRFARIHHDLLLPIPIIVGTTDRQIESYNQIESQQTACPLMSSVFFMQWPNSFQIGSLPPIYQCSTDYSETYQDGSIHTGYVSHLSNTIQAQSRNETIKLRKSNTISFSDEKQIIYDEDDSVENSSIVNKAHNSCTIHRLKETYNTKDSNSRINLYPRII
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	29.2	Very low	240 Å²	240	135.6 Å²	135.6	100%	1.182	73%	0.729	S	S	*	*				0	142.2	0	-71.4	171.1	169.2	0	0	108.3
2	S	27.6	Very low	30.7	Very low	99 Å²	99	130.2 Å²	130.2	69%	0.692	70%	0.699	S	S	*	*			trans	-79.8	122.4	175.6	47.9	0	0	0	0	110.4	T4	S2-T4 VanDerWaalsContact C-N 3.27Å; S2-T4 PolarHBondContact O-N 3.48Å
3	N	28.8	Very low	32.3	Very low	158 Å²	158	123.5 Å²	123.5	85%	0.845	66%	0.662	S	S	*	*			trans	-71.1	85	171.6	-76.3	-2.8	0	0	0	109.8	C5	N3-C5 PolarHBondContact O-N 3.42Å
4	T	24.5	Very low	34.1	Very low	109 Å²	109	121.6 Å²	121.6	67%	0.669	66%	0.657	S	S	*	*			trans	-67.9	99.8	170.7	47.6	0	0	0	0	109	S2 I6	S2-T4 VanDerWaalsContact C-N 3.27Å; S2-T4 PolarHBondContact O-N 3.48Å; T4-I6 PolarHBondContact O-N 3.01Å
5	C	25.2	Very low	36.2	Very low	113 Å²	113	118.7 Å²	118.7	76%	0.764	64%	0.638	S	S	*	*			trans	-62.8	98.4	172.1	-65.7	0	0	0	0	109.6	N3 T7	N3-C5 PolarHBondContact O-N 3.42Å; C5-T7 PolarHBondContact O-N 3.45Å
6	I	25.8	Very low	38.1	Very low	114 Å²	114	112.6 Å²	112.6	59%	0.585	60%	0.604	S	S	*	*			trans	-71.9	99.9	178.9	-49.5	178.7	0	0	0	108.5	T4 Y8	T4-I6 PolarHBondContact O-N 3.01Å; I6-Y8 VanDerWaalsContact C-N 3.33Å; I6-Y8 HydrophobicContact CB-CD2 4.24Å; I6-Y8 HydrophobicContact CB-CE2 3.89Å; I6-Y8 HydrophobicContact CG2-CD2 3.77Å; I6-Y8 HydrophobicContact CG2-CE1 4.26Å; I6-Y8 HydrophobicContact CG2-CE2 3.39Å; I6-Y8 HydrophobicContact CG2-CG 4.37Å; I6-Y8 PolarHBondContact O-N 3.33Å
7	T	23.1	Very low	39.9	Very low	126 Å²	126	113.3 Å²	113.3	77%	0.773	60%	0.601	S	S	*	*			trans	-76.9	82.4	176.4	53	0	0	0	0	110.2	C5	C5-T7 PolarHBondContact O-N 3.45Å
8	Y	32.4	Very low	41.7	Very low	162 Å²	162	114.2 Å²	114.2	64%	0.635	60%	0.599	S	S	*	*			trans	-62.7	142.1	169.8	-74.9	-77.4	0	0	0	111	I6 D10	I6-Y8 VanDerWaalsContact C-N 3.33Å; I6-Y8 HydrophobicContact CB-CD2 4.24Å; I6-Y8 HydrophobicContact CB-CE2 3.89Å; I6-Y8 HydrophobicContact CG2-CD2 3.77Å; I6-Y8 HydrophobicContact CG2-CE1 4.26Å; I6-Y8 HydrophobicContact CG2-CE2 3.39Å; I6-Y8 HydrophobicContact CG2-CG 4.37Å; I6-Y8 PolarHBondContact O-N 3.33Å; Y8-D10 PolarHBondContact O-N 3.04Å
9	K	29.5	Very low	43.7	Very low	189 Å²	189	114.5 Å²	114.5	82%	0.822	59%	0.591	S	S	*	*			trans	-71.9	117.3	-179.6	-67.1	178.6	177.4	176.2	0	109.5	V11	K9-V11 HydrophobicContact CB-CG2 4Å; K9-V11 PolarHBondContact O-N 2.85Å
10	D	36.4	Very low	45.8	Very low	75 Å²	75	109.2 Å²	109.2	40%	0.401	56%	0.564	S	S	.	*			trans	-74.9	51.9	-177.9	-140	-1.7	0	0	0	111.3	Y8 I116 R120	Y8-D10 PolarHBondContact O-N 3.04Å; D10-I116 HydrophobicContact CB-CD1 4.38Å; D10-R120 IonicContact OD1-NH2 3.99Å; D10-R120 IonicContact OD2-CZ 2.78Å; D10-R120 IonicContact OD2-NH2 3.4Å; D10-R120 PolarHBondContact OD2-NH2 3.02Å
11	V	36.3	Very low	47.9	Very low	107 Å²	107	108.4 Å²	108.4	65%	0.648	56%	0.557	S	S	*	*			trans	-96.3	136.6	-172.7	173.5	0	0	0	0	111.1	K9 M13	K9-V11 HydrophobicContact CB-CG2 4Å; K9-V11 PolarHBondContact O-N 2.85Å; V11-M13 VanDerWaalsContact C-N 3.25Å; V11-M13 PolarHBondContact O-N 2.84Å; V11-M13 VanDerWaalsContact O-N 3.09Å
12	N	47.5	Very low	50.7	Low	70 Å²	70	98 Å²	98	37%	0.374	51%	0.506	S	S	.	.	S	Bend	trans	55.6	18.8	174.2	-148	17.1	0	0	0	118.7	T14 E15	N12-T14 PolarHBondContact O-N 2.89Å; N12-E15 PolarHBondContact ND2-OE2 2.82Å; N12-E15 PolarHBondContact O-N 3.01Å; N12-E15 VanDerWaalsContact OD1-CG 3.25Å; N12-E15 WeakPolarHBondContact OD1-CG 3.22Å
13	M	51.2	Low	53.7	Low	44 Å²	44	96.9 Å²	96.9	22%	0.217	49%	0.492	C	S	.	.	H	α-helix	trans	-50.8	-19.8	171.4	-79.4	-69.7	-90.6	0	0	114.9	V11 L16 K17 L207	V11-M13 VanDerWaalsContact C-N 3.25Å; V11-M13 PolarHBondContact O-N 2.84Å; V11-M13 VanDerWaalsContact O-N 3.09Å; M13-L16 HydrophobicContact SD-CD1 4.36Å; M13-K17 WeakPolarHBondContact O-CB 3.48Å; M13-K17 VanDerWaalsContact O-CG 3.32Å; M13-K17 WeakPolarHBondContact O-CG 2.87Å; M13-K17 PolarHBondContact O-N 2.82Å; M13-L207 HydrophobicContact CE-CD1 4.26Å
14	T	58	Low	56.6	Low	97 Å²	97	89.4 Å²	89.4	60%	0.595	45%	0.452	S	S	*	.	H	α-helix	trans	-74.9	-22	175.2	39.4	0	0	0	0	115.2	N12 K18	N12-T14 PolarHBondContact O-N 2.89Å; T14-K18 WeakPolarHBondContact O-CG 3.13Å
15	E	65.6	Low	59.7	Low	78 Å²	78	87.3 Å²	87.3	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-94	-37.3	177.4	-70.2	-163.1	140.6	0	0	112.5	N12 K17 K18 R19	N12-E15 PolarHBondContact ND2-OE2 2.82Å; N12-E15 PolarHBondContact O-N 3.01Å; N12-E15 VanDerWaalsContact OD1-CG 3.25Å; N12-E15 WeakPolarHBondContact OD1-CG 3.22Å; E15-K17 VanDerWaalsContact C-N 3.26Å; E15-K17 PolarHBondContact O-N 2.84Å; E15-K18 WeakPolarHBondContact O-CA 3.23Å; E15-K18 WeakPolarHBondContact O-CB 3.04Å; E15-K18 PolarHBondContact O-N 2.85Å; E15-K18 IonicContact OE1-NZ 2.75Å; E15-R19 PolarHBondContact O-N 3.04Å
16	L	66.5	Low	62.6	Low	20 Å²	20	82.3 Å²	82.3	11%	0.105	40%	0.402	C	S	.	.	H	α-helix	trans	-55.3	-45.4	170.7	-54.5	-179.6	0	0	0	110.6	M13 K18 R19 I20 E205	M13-L16 HydrophobicContact SD-CD1 4.36Å; L16-K18 PolarHBondContact O-N 2.81Å; L16-K18 VanDerWaalsContact O-N 3.1Å; L16-R19 PolarHBondContact O-N 2.8Å; L16-I20 PolarHBondContact O-N 2.87Å; L16-E205 HydrophobicContact CD1-CB 3.9Å; L16-E205 HydrophobicContact CD1-CG 4.1Å; L16-E205 WeakPolarHBondContact CD2-OE2 3.33Å
17	K	67.7	Low	65.4	Low	125 Å²	125	79.3 Å²	79.3	54%	0.543	39%	0.387	S	S	.	.	H	α-helix	trans	-68.2	-1.7	174.5	-70.3	179.9	176.5	-176.9	0	115.5	M13 E15 L207	M13-K17 WeakPolarHBondContact O-CB 3.48Å; M13-K17 VanDerWaalsContact O-CG 3.32Å; M13-K17 WeakPolarHBondContact O-CG 2.87Å; M13-K17 PolarHBondContact O-N 2.82Å; E15-K17 VanDerWaalsContact C-N 3.26Å; E15-K17 PolarHBondContact O-N 2.84Å; K17-L207 HydrophobicContact CD-CD1 4.29Å; K17-L207 HydrophobicContact CG-CD1 3.85Å
18	K	73.9	Confident	67.5	Low	130 Å²	130	78.8 Å²	78.8	57%	0.565	39%	0.389	S	S	*	.	H	α-helix	trans	-96.9	-24.2	167.2	-63.7	168.9	-168.6	168.6	0	112.6	T14 E15 L16 K49	T14-K18 WeakPolarHBondContact O-CG 3.13Å; E15-K18 WeakPolarHBondContact O-CA 3.23Å; E15-K18 WeakPolarHBondContact O-CB 3.04Å; E15-K18 PolarHBondContact O-N 2.85Å; E15-K18 IonicContact OE1-NZ 2.75Å; L16-K18 PolarHBondContact O-N 2.81Å; L16-K18 VanDerWaalsContact O-N 3.1Å; K18-K49 PolarHBondContact O-NZ 3.03Å
19	R	79.5	Confident	69	Low	119 Å²	119	75.3 Å²	75.3	45%	0.449	39%	0.388	S	S	.	.	H	α-helix	trans	-98.1	-31.8	-178.8	-56.7	-167.6	-163.9	-157	7.6	113.1	E15 L16 K49 E50	E15-R19 PolarHBondContact O-N 3.04Å; L16-R19 PolarHBondContact O-N 2.8Å; R19-K49 PolarHBondContact O-N 3.02Å; R19-E50 WeakPolarHBondContact CD-OE2 3.47Å; R19-E50 IonicContact CZ-OE2 3.5Å; R19-E50 IonicContact NH1-OE1 2.74Å; R19-E50 PolarHBondContact NH1-OE1 3.08Å; R19-E50 IonicContact NH1-OE2 3.38Å; R19-E50 PolarHBondContact NH1-OE2 3.14Å
20	I	86	Confident	70.6	Confident	8 Å²	8	66.5 Å²	66.5	4%	0.041	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.4	-175.2	-44.4	179.8	0	0	0	108.4	L16 L46 L52 L199 L201 L207	L16-I20 PolarHBondContact O-N 2.87Å; I20-L46 HydrophobicContact CG2-CD1 3.71Å; I20-L52 HydrophobicContact CD1-CD1 3.61Å; I20-L52 HydrophobicContact CD1-CD2 4.32Å; I20-L52 HydrophobicContact CG1-CD1 3.83Å; I20-L52 HydrophobicContact CG2-CD1 4.29Å; I20-L199 HydrophobicContact CG2-CD2 4.03Å; I20-L201 HydrophobicContact CD1-CD1 3.85Å; I20-L207 HydrophobicContact CB-CD2 4.12Å; I20-L207 HydrophobicContact CG2-CD2 3.79Å
21	H	88.8	Confident	71.8	Confident	94 Å²	94	67.1 Å²	67.1	44%	0.435	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.8	169	-179.3	-82.3	0	0	0	108.9	Y45 E47	H21-Y45 AromaticContact CE1-CD1 3.86Å; H21-Y45 AromaticContact CE1-CE1 3.92Å; H21-Y45 AromaticContact ND1-CD1 3.5Å; H21-Y45 WeakPolarHBondContact ND1-CD1 3.48Å; H21-Y45 AromaticContact ND1-CE1 3.42Å; H21-Y45 WeakPolarHBondContact ND1-CE1 3.17Å; H21-E47 HydrophobicContact CB-CB 4.2Å; H21-E47 PolarHBondContact N-O 3.3Å; H21-E47 PolarHBondContact O-N 3.21Å
22	L	90.4	Very high	73.4	Confident	21 Å²	21	67.4 Å²	67.4	11%	0.11	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.3	-178.7	-177.6	73.2	0	0	0	108.7	V44 Y45 L46 L57 V197 L199 L207 A209	L22-V44 HydrophobicContact CD1-CG1 3.71Å; L22-Y45 WeakPolarHBondContact CA-O 3.4Å; L22-L46 HydrophobicContact CD1-CD1 4.22Å; L22-L57 HydrophobicContact CD1-CD1 4.37Å; L22-V197 HydrophobicContact CD1-CG1 4.09Å; L22-V197 HydrophobicContact CD2-CB 4.33Å; L22-V197 HydrophobicContact CD2-CG1 4Å; L22-V197 HydrophobicContact CG-CG1 4.39Å; L22-L199 HydrophobicContact CD2-CB 3.97Å; L22-L207 HydrophobicContact CB-CD2 3.7Å; L22-L207 HydrophobicContact CB-CG 4.35Å; L22-L207 HydrophobicContact CD2-CD2 4.07Å; L22-L207 HydrophobicContact CD2-CG 3.93Å; L22-A209 HydrophobicContact CD2-CB 4.14Å; L22-A209 HydrophobicContact CG-CB 4.16Å
23	D	89.9	Confident	74.9	Confident	75 Å²	75	65.9 Å²	65.9	40%	0.401	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	163.4	179	-166.8	17.8	0	0	0	111.7	Y45	D23-Y45 PolarHBondContact N-O 2.81Å; D23-Y45 PolarHBondContact O-N 2.87Å
24	I	90.1	Very high	76.5	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	103.5	-179	-53.6	178.2	0	0	0	108	F172 L195 V197 A209 K211	I24-F172 HydrophobicContact CG2-CE1 3.93Å; I24-F172 HydrophobicContact CG2-CZ 3.69Å; I24-L195 HydrophobicContact CD1-CB 4.03Å; I24-L195 HydrophobicContact CG2-CD1 4.3Å; I24-V197 HydrophobicContact CD1-CG2 3.76Å; I24-V197 HydrophobicContact CG1-CG2 3.65Å; I24-A209 HydrophobicContact CG1-CB 4.42Å; I24-K211 HydrophobicContact CB-CB 4.11Å; I24-K211 HydrophobicContact CB-CD 3.85Å; I24-K211 HydrophobicContact CD1-CB 3.9Å; I24-K211 HydrophobicContact CG1-CB 4.47Å; I24-K211 HydrophobicContact CG2-CB 4.42Å; I24-K211 HydrophobicContact CG2-CD 3.96Å; I24-K211 WeakPolarHBondContact O-CD 3.06Å; I24-K211 WeakPolarHBondContact O-CE 3.44Å; I24-K211 PolarHBondContact O-NZ 3.19Å
25	I	89.3	Confident	77.9	Confident	65 Å²	65	63.7 Å²	63.7	33%	0.333	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	138.8	171.3	-57.7	179.3	0	0	0	108	G42 Y43 Y45 Y169	I25-G42 WeakPolarHBondContact O-CA 3.23Å; I25-Y43 PolarHBondContact N-O 3.33Å; I25-Y43 PolarHBondContact O-N 2.76Å; I25-Y45 HydrophobicContact CD1-CG 4.25Å; I25-Y169 HydrophobicContact CD1-CD1 4.31Å; I25-Y169 HydrophobicContact CD1-CE1 3.88Å
26	L	86.8	Confident	79	Confident	9 Å²	9	61 Å²	61	5%	0.047	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.8	174.4	-71.5	173.5	0	0	0	108.1	L31 I40 F172 L195 K211 L213	L26-L31 HydrophobicContact CB-CD1 4.3Å; L26-L31 HydrophobicContact CB-CD2 4.39Å; L26-L31 HydrophobicContact CB-CG 4.23Å; L26-L31 HydrophobicContact CD1-CD2 4.24Å; L26-I40 HydrophobicContact CD2-CG2 3.78Å; L26-F172 HydrophobicContact CD2-CE2 4.16Å; L26-F172 HydrophobicContact CD2-CZ 3.75Å; L26-L195 HydrophobicContact CD1-CD1 4.2Å; L26-L195 HydrophobicContact CD2-CD1 3.74Å; L26-L195 HydrophobicContact CG-CD1 4.41Å; L26-K211 HydrophobicContact CD1-CD 3.94Å; L26-K211 HydrophobicContact CG-CD 4.25Å; L26-L213 HydrophobicContact CD1-CD2 3.53Å
27	D	84	Confident	80	Confident	50 Å²	50	62 Å²	62	27%	0.267	34%	0.336	S	S	.	.			trans	-65.3	150.8	-177.7	-77.4	26.3	0	0	0	112.2	S29 I30 H41 Y43	D27-S29 PolarHBondContact O-N 2.66Å; D27-S29 VanDerWaalsContact O-N 3.12Å; D27-I30 HydrophobicContact CB-CD1 4.19Å; D27-I30 PolarHBondContact O-N 2.81Å; D27-H41 IonicContact OD1-CD2 2.95Å; D27-H41 IonicContact OD2-CD2 3.36Å; D27-H41 PolarHBondContact OD2-CD2 2.83Å; D27-Y43 WeakPolarHBondContact OD1-CE2 3.11Å
28	S	67.7	Low	80.9	Confident	116 Å²	116	58.2 Å²	58.2	81%	0.811	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-19.8	-177.8	52.2	0	0	0	0	113.6	I30	S28-I30 VanDerWaalsContact C-N 3.3Å
29	S	64.1	Low	81.7	Confident	88 Å²	88	56 Å²	56	62%	0.615	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.2	174.3	53.5	0	0	0	0	114.4	D27	D27-S29 PolarHBondContact O-N 2.66Å; D27-S29 VanDerWaalsContact O-N 3.12Å
30	I	62.9	Low	82.3	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-19.6	-172.4	-63.5	157.3	0	0	0	111.6	D27 S28 V33 C34 I40 H41	D27-I30 HydrophobicContact CB-CD1 4.19Å; D27-I30 PolarHBondContact O-N 2.81Å; S28-I30 VanDerWaalsContact C-N 3.3Å; I30-V33 CarbonylContact O-C 3.57Å; I30-V33 PolarHBondContact O-N 2.92Å; I30-C34 VanDerWaalsContact CG2-SG 3.52Å; I30-I40 HydrophobicContact CD1-CG2 4.37Å; I30-H41 HydrophobicContact CD1-CB 4.35Å; I30-H41 VanDerWaalsContact CD1-N 3.27Å; I30-H41 WeakPolarHBondContact CD1-O 3.32Å
31	L	62.8	Low	82.5	Confident	89 Å²	89	52.3 Å²	52.3	47%	0.466	30%	0.302	S	S	.	.	S	Bend	trans	-92.7	136.9	-178.7	-68	171.1	0	0	0	111.4	L26	L26-L31 HydrophobicContact CB-CD1 4.3Å; L26-L31 HydrophobicContact CB-CD2 4.39Å; L26-L31 HydrophobicContact CB-CG 4.23Å; L26-L31 HydrophobicContact CD1-CD2 4.24Å
32	P	69.3	Low	82.7	Confident	113 Å²	113	47.9 Å²	47.9	73%	0.734	28%	0.281	S	S	*	.	S	Bend	cis	-99.6	12.6	2.6	38.7	-34.1	0	0	0	114.2
33	V	79.2	Confident	82.8	Confident	37 Å²	37	50.6 Å²	50.6	22%	0.224	29%	0.291	C	S	.	.			trans	-143.8	128.9	-173.7	173.5	0	0	0	0	110.7	I30 K214 L216	I30-V33 CarbonylContact O-C 3.57Å; I30-V33 PolarHBondContact O-N 2.92Å; V33-K214 WeakPolarHBondContact CA-O 3.34Å; V33-K214 HydrophobicContact CG2-CD 4.02Å; V33-K214 HydrophobicContact CG2-CG 4.33Å; V33-L216 HydrophobicContact CG1-CB 4.2Å; V33-L216 HydrophobicContact CG1-CD1 3.75Å; V33-L216 HydrophobicContact CG1-CG 3.72Å
34	C	84.4	Confident	83	Confident	2 Å²	2	47 Å²	47	1%	0.014	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	155.7	172.7	-33.5	0	0	0	0	110	I30 L176 K214 V215 L216	I30-C34 VanDerWaalsContact CG2-SG 3.52Å; C34-L176 HydrophobicContact CB-CD1 3.73Å; C34-K214 PolarHBondContact N-O 3.02Å; C34-V215 CarbonylContact O-C 3.56Å; C34-V215 VanDerWaalsContact O-CA 3.32Å; C34-V215 WeakPolarHBondContact O-CA 3.33Å; C34-L216 PolarHBondContact O-N 2.86Å
35	F	87.3	Confident	83.1	Confident	93 Å²	93	48 Å²	48	41%	0.408	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	150.4	170.6	-66.8	-85.8	0	0	0	112.4	G37 Q38 L176 L216 K218	F35-G37 PolarHBondContact O-N 3.44Å; F35-Q38 HydrophobicContact CB-CB 4.32Å; F35-Q38 WeakPolarHBondContact O-CB 3.25Å; F35-Q38 PolarHBondContact O-N 2.93Å; F35-Q38 VanDerWaalsContact O-N 3.09Å; F35-L176 WeakPolarHBondContact O-CD1 3.49Å; F35-L216 VanDerWaalsContact CA-O 3.28Å; F35-L216 WeakPolarHBondContact CA-O 3.39Å; F35-L216 HydrophobicContact CD1-CB 4.26Å; F35-L216 WeakPolarHBondContact CD1-O 3.43Å; F35-L216 HydrophobicContact CE1-CB 4.29Å; F35-K218 HydrophobicContact CD1-CG 4.34Å
36	S	87.9	Confident	83.3	Confident	22 Å²	22	45 Å²	45	15%	0.154	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	131.6	167.7	-48.5	0	0	0	0	109.2	C180 L216 R217	S36-C180 PolarHBondContact OG-O 3.31Å; S36-L216 PolarHBondContact N-O 3.39Å; S36-R217 WeakPolarHBondContact OG-CA 3.41Å
37	G	87.4	Confident	83.5	Confident	40 Å²	40	47.6 Å²	47.6	41%	0.412	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	7.4	-170.5	0	0	0	0	0	114.4	F35 L176	F35-G37 PolarHBondContact O-N 3.44Å; G37-L176 WeakPolarHBondContact CA-O 3.47Å; G37-L176 PolarHBondContact N-O 2.97Å
38	Q	88.3	Confident	83.7	Confident	46 Å²	46	45.7 Å²	45.7	22%	0.215	26%	0.262	C	S	.	.			trans	-96.1	140.3	177.9	-170.1	-179.8	-10.4	0	0	111.9	F35 L176	F35-Q38 HydrophobicContact CB-CB 4.32Å; F35-Q38 WeakPolarHBondContact O-CB 3.25Å; F35-Q38 PolarHBondContact O-N 2.93Å; F35-Q38 VanDerWaalsContact O-N 3.09Å; Q38-L176 WeakPolarHBondContact O-CB 2.93Å; Q38-L176 PolarHBondContact O-N 2.83Å
39	L	90.7	Very high	84.7	Confident	84 Å²	84	47.3 Å²	47.3	44%	0.44	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128	167.7	-163.3	70.8	0	0	0	111.3	E173 E175	L39-E173 HydrophobicContact CD1-CG 3.76Å; L39-E173 HydrophobicContact CD2-CG 4.15Å; L39-E173 WeakPolarHBondContact CD2-OE1 3.39Å; L39-E173 HydrophobicContact CG-CG 4.01Å; L39-E175 HydrophobicContact CD1-CB 4.3Å
40	I	90.6	Very high	85.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109.9	171.7	-57.1	170.2	0	0	0	108.1	L26 I30 L61 F172 E173 F174 L176 L195 L213	L26-I40 HydrophobicContact CD2-CG2 3.78Å; I30-I40 HydrophobicContact CD1-CG2 4.37Å; I40-L61 HydrophobicContact CD1-CD1 4.43Å; I40-L61 HydrophobicContact CD1-CD2 4.12Å; I40-F172 HydrophobicContact CG2-CE2 4.44Å; I40-E173 CarbonylContact O-C 3.57Å; I40-E173 WeakPolarHBondContact O-CA 3.07Å; I40-F174 PolarHBondContact N-O 3.02Å; I40-F174 PolarHBondContact O-N 2.89Å; I40-L176 HydrophobicContact CD1-CD1 3.87Å; I40-L176 HydrophobicContact CD1-CD2 3.95Å; I40-L176 HydrophobicContact CD1-CG 3.61Å; I40-L176 HydrophobicContact CG1-CD1 4.15Å; I40-L176 HydrophobicContact CG1-CG 4.08Å; I40-L195 HydrophobicContact CG2-CD1 4.36Å; I40-L213 HydrophobicContact CD1-CD1 3.53Å
41	H	90.7	Very high	86.9	Confident	50 Å²	50	50 Å²	50	23%	0.231	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	148.6	165.2	-166.2	72.1	0	0	0	111	D27 I30 Y43	D27-H41 IonicContact OD1-CD2 2.95Å; D27-H41 IonicContact OD2-CD2 3.36Å; D27-H41 PolarHBondContact OD2-CD2 2.83Å; I30-H41 HydrophobicContact CD1-CB 4.35Å; I30-H41 VanDerWaalsContact CD1-N 3.27Å; I30-H41 WeakPolarHBondContact CD1-O 3.32Å; H41-Y43 AromaticContact CD2-CE2 3.91Å; H41-Y43 AromaticContact NE2-CE2 3.74Å; H41-Y43 AromaticContact NE2-CZ 3.37Å; H41-Y43 PolarHBondContact NE2-OH 3.25Å; H41-Y43 VanDerWaalsContact NE2-OH 3.07Å
42	G	92	Very high	88	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	-174.7	173	0	0	0	0	0	113.4	I25 P171 F172	I25-G42 WeakPolarHBondContact O-CA 3.23Å; G42-P171 CarbonylContact O-C 3.56Å; G42-P171 WeakPolarHBondContact O-CA 3.3Å; G42-F172 VanDerWaalsContact C-CE1 3.47Å; G42-F172 PolarHBondContact N-O 3.34Å; G42-F172 PolarHBondContact O-N 3.4Å
43	Y	92.9	Very high	89	Confident	79 Å²	79	43.4 Å²	43.4	31%	0.31	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.4	-177.9	-55.7	-92.3	0	0	0	110.5	I25 D27 H41 Y45 Y170 P171	I25-Y43 PolarHBondContact N-O 3.33Å; I25-Y43 PolarHBondContact O-N 2.76Å; D27-Y43 WeakPolarHBondContact OD1-CE2 3.11Å; H41-Y43 AromaticContact CD2-CE2 3.91Å; H41-Y43 AromaticContact NE2-CE2 3.74Å; H41-Y43 AromaticContact NE2-CZ 3.37Å; H41-Y43 PolarHBondContact NE2-OH 3.25Å; H41-Y43 VanDerWaalsContact NE2-OH 3.07Å; Y43-Y45 PolarHBondContact O-N 3.41Å; Y43-Y170 CarbonylContact C-O 3.58Å; Y43-Y170 WeakPolarHBondContact CA-O 3.28Å; Y43-P171 HydrophobicContact CD1-CB 3.94Å; Y43-P171 HydrophobicContact CE1-CB 3.84Å
44	V	93.9	Very high	89.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	118.9	163.5	-179.3	0	0	0	0	107.8	L22 L57 V59 L151 Y169 Y170 F172 V197	L22-V44 HydrophobicContact CD1-CG1 3.71Å; V44-L57 HydrophobicContact CG1-CD1 4.33Å; V44-L57 HydrophobicContact CG1-CD2 4.36Å; V44-V59 HydrophobicContact CG2-CG2 3.67Å; V44-L151 HydrophobicContact CB-CD1 4.09Å; V44-L151 HydrophobicContact CG2-CD1 3.51Å; V44-Y169 WeakPolarHBondContact O-CA 3.48Å; V44-Y170 PolarHBondContact N-O 3.29Å; V44-Y170 PolarHBondContact O-N 3.29Å; V44-F172 HydrophobicContact CG2-CD1 3.86Å; V44-F172 HydrophobicContact CG2-CE1 4.15Å; V44-V197 HydrophobicContact CB-CG2 4.42Å; V44-V197 HydrophobicContact CG1-CG1 3.96Å; V44-V197 HydrophobicContact CG1-CG2 4.03Å; V44-V197 HydrophobicContact CG2-CG1 4.44Å; V44-V197 HydrophobicContact CG2-CG2 3.53Å
45	Y	92.9	Very high	89.7	Confident	21 Å²	21	44.3 Å²	44.3	8%	0.082	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.6	174.3	178.8	-119.4	0	0	0	109.7	H21 L22 D23 I25 Y43 E47 K167 Y169	H21-Y45 AromaticContact CE1-CD1 3.86Å; H21-Y45 AromaticContact CE1-CE1 3.92Å; H21-Y45 AromaticContact ND1-CD1 3.5Å; H21-Y45 WeakPolarHBondContact ND1-CD1 3.48Å; H21-Y45 AromaticContact ND1-CE1 3.42Å; H21-Y45 WeakPolarHBondContact ND1-CE1 3.17Å; L22-Y45 WeakPolarHBondContact CA-O 3.4Å; D23-Y45 PolarHBondContact N-O 2.81Å; D23-Y45 PolarHBondContact O-N 2.87Å; I25-Y45 HydrophobicContact CD1-CG 4.25Å; Y43-Y45 PolarHBondContact O-N 3.41Å; Y45-E47 HydrophobicContact CE1-CB 3.94Å; Y45-E47 HydrophobicContact CE2-CB 4.46Å; Y45-E47 PolarHBondContact OH-OE2 3.19Å; Y45-K167 HydrophobicContact CE2-CB 4.14Å; Y45-K167 HydrophobicContact CE2-CD 4.46Å; Y45-K167 HydrophobicContact CE2-CG 4.32Å; Y45-K167 WeakPolarHBondContact OH-CD 3.09Å; Y45-K167 PolarHBondContact OH-NZ 2.91Å; Y45-Y169 AromaticContact CD2-CD1 3.76Å; Y45-Y169 HydrophobicContact CD2-CD1 3.76Å; Y45-Y169 AromaticContact CD2-CE1 3.3Å; Y45-Y169 HydrophobicContact CD2-CE1 3.3Å; Y45-Y169 HydrophobicContact CD2-CE2 4.39Å; Y45-Y169 HydrophobicContact CD2-CG 4.47Å; Y45-Y169 AromaticContact CD2-CZ 3.67Å; Y45-Y169 AromaticContact CE2-CE1 3.81Å; Y45-Y169 HydrophobicContact CE2-CE1 3.81Å; Y45-Y169 HydrophobicContact CE2-CE2 4.34Å; Y45-Y169 AromaticContact CE2-CZ 3.67Å; Y45-Y169 HydrophobicContact CG-CE1 4.22Å
46	L	92.8	Very high	89.8	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	112.5	177.1	177.8	60.1	0	0	0	109.1	I20 L22 T48 I54 I163 R168 Y170 L199	I20-L46 HydrophobicContact CG2-CD1 3.71Å; L22-L46 HydrophobicContact CD1-CD1 4.22Å; L46-T48 HydrophobicContact CD1-CG2 3.84Å; L46-T48 HydrophobicContact CD2-CG2 4.48Å; L46-T48 HydrophobicContact CG-CG2 3.9Å; L46-I54 HydrophobicContact CD2-CD1 4Å; L46-I163 HydrophobicContact CD2-CD1 4.35Å; L46-R168 PolarHBondContact N-O 3.21Å; L46-R168 PolarHBondContact O-N 3.15Å; L46-Y170 HydrophobicContact CD2-CE2 4.37Å; L46-L199 HydrophobicContact CD1-CD2 4.12Å
47	E	90.9	Very high	90.1	Very high	65 Å²	65	41.3 Å²	41.3	30%	0.304	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.5	173.5	169.1	170.2	-153.3	0	0	110.2	H21 Y45 G166 K167	H21-E47 HydrophobicContact CB-CB 4.2Å; H21-E47 PolarHBondContact N-O 3.3Å; H21-E47 PolarHBondContact O-N 3.21Å; Y45-E47 HydrophobicContact CE1-CB 3.94Å; Y45-E47 HydrophobicContact CE2-CB 4.46Å; Y45-E47 PolarHBondContact OH-OE2 3.19Å; E47-G166 WeakPolarHBondContact CA-O 3.13Å; E47-K167 HydrophobicContact CB-CG 4.18Å; E47-K167 HydrophobicContact CG-CG 4.04Å; E47-K167 WeakPolarHBondContact OE1-CE 3.24Å; E47-K167 IonicContact OE1-NZ 3.04Å; E47-K167 PolarHBondContact OE1-NZ 3.06Å; E47-K167 IonicContact OE2-NZ 2.76Å; E47-K167 PolarHBondContact OE2-NZ 3.08Å
48	T	89.9	Confident	90.4	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.055	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.3	-171	61.4	0	0	0	0	110.1	L46 L52 A165 G166	L46-T48 HydrophobicContact CD1-CG2 3.84Å; L46-T48 HydrophobicContact CD2-CG2 4.48Å; L46-T48 HydrophobicContact CG-CG2 3.9Å; T48-L52 HydrophobicContact CG2-CD1 3.43Å; T48-L52 VanDerWaalsContact CG2-CD1 3.43Å; T48-L52 HydrophobicContact CG2-CG 4.04Å; T48-A165 WeakPolarHBondContact OG1-CA 3.49Å; T48-G166 PolarHBondContact N-O 2.88Å; T48-G166 PolarHBondContact O-N 2.86Å; T48-G166 PolarHBondContact OG1-N 3.16Å; T48-G166 PolarHBondContact OG1-O 2.87Å
49	K	87.2	Confident	90.6	Very high	150 Å²	150	39.5 Å²	39.5	65%	0.652	20%	0.198	S	C	*	.	S	Bend	trans	-91.8	-20.4	178.9	-66.1	176.3	-178.1	166.7	0	113.8	K18 R19	K18-K49 PolarHBondContact O-NZ 3.03Å; R19-K49 PolarHBondContact O-N 3.02Å
50	E	87.4	Confident	90.8	Very high	91 Å²	91	36.9 Å²	36.9	43%	0.425	18%	0.183	S	C	.	.	S	Bend	trans	-132.3	157.1	-173.9	-70.8	158.2	-157.4	0	0	107.2	R19 L52	R19-E50 WeakPolarHBondContact CD-OE2 3.47Å; R19-E50 IonicContact CZ-OE2 3.5Å; R19-E50 IonicContact NH1-OE1 2.74Å; R19-E50 PolarHBondContact NH1-OE1 3.08Å; R19-E50 IonicContact NH1-OE2 3.38Å; R19-E50 PolarHBondContact NH1-OE2 3.14Å; E50-L52 PolarHBondContact O-N 2.84Å
51	A	86.1	Confident	90.9	Very high	57 Å²	57	36.9 Å²	36.9	47%	0.471	18%	0.183	S	C	.	.			trans	-69.5	127.5	175.5	0	0	0	0	0	110.2	L162 I163 L164	A51-L162 HydrophobicContact CB-CD1 4.12Å; A51-I163 CarbonylContact C-O 3.49Å; A51-I163 VanDerWaalsContact CA-O 3.25Å; A51-I163 WeakPolarHBondContact CA-O 3.28Å; A51-L164 HydrophobicContact CB-CD2 4.35Å
52	L	86.9	Confident	91	Very high	23 Å²	23	35.2 Å²	35.2	12%	0.12	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.8	-178	-58.8	-174.9	0	0	0	111.2	I20 T48 E50 I54 I163 L201	I20-L52 HydrophobicContact CD1-CD1 3.61Å; I20-L52 HydrophobicContact CD1-CD2 4.32Å; I20-L52 HydrophobicContact CG1-CD1 3.83Å; I20-L52 HydrophobicContact CG2-CD1 4.29Å; T48-L52 HydrophobicContact CG2-CD1 3.43Å; T48-L52 VanDerWaalsContact CG2-CD1 3.43Å; T48-L52 HydrophobicContact CG2-CG 4.04Å; E50-L52 PolarHBondContact O-N 2.84Å; L52-I54 HydrophobicContact CB-CD1 3.93Å; L52-I54 HydrophobicContact CB-CG1 4.07Å; L52-I54 HydrophobicContact CD1-CD1 4.23Å; L52-I163 PolarHBondContact N-O 3.31Å; L52-I163 PolarHBondContact O-N 2.88Å; L52-L201 HydrophobicContact CB-CD2 4.11Å; L52-L201 HydrophobicContact CD1-CD2 4.15Å
53	S	88.5	Confident	91	Very high	42 Å²	42	35.2 Å²	35.2	29%	0.294	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	111.6	168.6	178	0	0	0	0	108.8	C160 E161 S202	S53-C160 WeakPolarHBondContact OG-CB 3.38Å; S53-E161 WeakPolarHBondContact CA-O 3.28Å; S53-S202 WeakPolarHBondContact CB-OG 3.37Å; S53-S202 PolarHBondContact O-N 3.32Å; S53-S202 PolarHBondContact O-OG 3.48Å; S53-S202 WeakPolarHBondContact OG-CB 3.24Å; S53-S202 PolarHBondContact OG-OG 3.02Å
54	I	89.3	Confident	90.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125	-169.9	-73.7	165	0	0	0	109.6	L46 L52 I152 C160 E161 I163 L199 L201	L46-I54 HydrophobicContact CD2-CD1 4Å; L52-I54 HydrophobicContact CB-CD1 3.93Å; L52-I54 HydrophobicContact CB-CG1 4.07Å; L52-I54 HydrophobicContact CD1-CD1 4.23Å; I54-I152 HydrophobicContact CG2-CG2 4.35Å; I54-C160 CarbonylContact O-C 3.47Å; I54-C160 VanDerWaalsContact O-CA 3.28Å; I54-C160 WeakPolarHBondContact O-CA 3.39Å; I54-E161 PolarHBondContact N-O 3.02Å; I54-E161 PolarHBondContact O-N 3.09Å; I54-I163 HydrophobicContact CB-CD1 4.24Å; I54-I163 HydrophobicContact CB-CG1 4.4Å; I54-I163 HydrophobicContact CD1-CB 4.09Å; I54-I163 HydrophobicContact CD1-CD1 3.47Å; I54-I163 VanDerWaalsContact CD1-CD1 3.47Å; I54-I163 HydrophobicContact CD1-CG1 3.83Å; I54-I163 HydrophobicContact CG1-CD1 4.37Å; I54-I163 HydrophobicContact CG1-CG1 4.5Å; I54-L199 HydrophobicContact CB-CD1 4.41Å; I54-L199 HydrophobicContact CD1-CD1 3.68Å; I54-L199 HydrophobicContact CG1-CD1 3.82Å; I54-L199 HydrophobicContact CG2-CD1 3.69Å; I54-L201 HydrophobicContact CD1-CD2 4.44Å; I54-L201 HydrophobicContact CG1-CD2 3.63Å
55	Q	89.2	Confident	90.8	Very high	58 Å²	58	33.7 Å²	33.7	27%	0.271	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-43.8	-179.1	-169.6	-173.1	-13.5	0	0	111.4	L200	Q55-L200 HydrophobicContact CB-CD2 4.36Å; Q55-L200 HydrophobicContact CB-CG 4.26Å; Q55-L200 HydrophobicContact CG-CD2 4.4Å; Q55-L200 PolarHBondContact N-O 3.18Å
56	I	91	Very high	90.5	Very high	52 Å²	52	32.7 Å²	32.7	27%	0.267	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	134.5	178.5	-54.2	179.2	0	0	0	110.1	Q58 I152 L200	I56-Q58 HydrophobicContact CG2-CB 3.95Å; I56-I152 CarbonylContact C-O 3.59Å; I56-I152 WeakPolarHBondContact CA-O 3.17Å; I56-L200 HydrophobicContact CB-CB 4.2Å; I56-L200 HydrophobicContact CD1-CD2 4.25Å; I56-L200 HydrophobicContact CG1-CD2 4.4Å; I56-L200 PolarHBondContact N-O 2.92Å; I56-L200 PolarHBondContact O-N 3.03Å
57	L	92.7	Very high	90	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.9	157.9	-177.3	67.4	0	0	0	108.2	L22 V44 L151 I152 Y170 V197 Y198 L199	L22-L57 HydrophobicContact CD1-CD1 4.37Å; V44-L57 HydrophobicContact CG1-CD1 4.33Å; V44-L57 HydrophobicContact CG1-CD2 4.36Å; L57-L151 HydrophobicContact CB-CB 4.41Å; L57-L151 HydrophobicContact CD2-CB 4.05Å; L57-L151 HydrophobicContact CD2-CD1 4.12Å; L57-L151 HydrophobicContact CG-CB 4.18Å; L57-L151 HydrophobicContact CG-CD1 4.27Å; L57-L151 PolarHBondContact O-N 3.02Å; L57-I152 HydrophobicContact CB-CB 3.74Å; L57-I152 HydrophobicContact CB-CD1 3.88Å; L57-I152 HydrophobicContact CB-CG1 3.78Å; L57-I152 HydrophobicContact CD2-CD1 3.72Å; L57-I152 HydrophobicContact CD2-CG1 4.02Å; L57-I152 HydrophobicContact CG-CD1 4.46Å; L57-I152 PolarHBondContact N-O 2.81Å; L57-I152 PolarHBondContact O-N 3.33Å; L57-Y170 HydrophobicContact CD2-CD2 3.84Å; L57-Y170 HydrophobicContact CD2-CE2 4.27Å; L57-Y170 HydrophobicContact CD2-CG 3.99Å; L57-V197 HydrophobicContact CD1-CG1 3.49Å; L57-V197 VanDerWaalsContact CD1-CG1 3.49Å; L57-V197 HydrophobicContact CG-CG1 4.48Å; L57-Y198 WeakPolarHBondContact CA-O 3.28Å; L57-L199 HydrophobicContact CD1-CB 4.12Å; L57-L199 HydrophobicContact CD1-CD1 4Å
58	Q	93.5	Very high	89.4	Confident	48 Å²	48	29.6 Å²	29.6	22%	0.224	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.1	-176	-174.7	177.1	46.6	0	0	111.3	I56 N148 S149 T150 V197 Y198	I56-Q58 HydrophobicContact CG2-CB 3.95Å; Q58-N148 HydrophobicContact CG-CB 4.44Å; Q58-N148 PolarHBondContact NE2-ND2 3.3Å; Q58-N148 VanDerWaalsContact NE2-ND2 3.18Å; Q58-S149 CarbonylContact C-O 3.6Å; Q58-S149 WeakPolarHBondContact CA-O 3.26Å; Q58-S149 WeakPolarHBondContact CG-O 3.5Å; Q58-T150 HydrophobicContact CB-CG2 4.29Å; Q58-T150 HydrophobicContact CG-CG2 3.98Å; Q58-V197 CarbonylContact O-C 3.56Å; Q58-V197 WeakPolarHBondContact O-CA 3.27Å; Q58-Y198 PolarHBondContact N-O 3.4Å; Q58-Y198 PolarHBondContact O-N 3.44Å
59	V	94	Very high	88.4	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140	169.3	-157	0	0	0	0	109.5	V44 N148 S149 L151 F172 F174 L195 R196 V197	V44-V59 HydrophobicContact CG2-CG2 3.67Å; V59-N148 CarbonylContact O-C 3.6Å; V59-N148 WeakPolarHBondContact O-CA 3.01Å; V59-S149 PolarHBondContact N-O 3.4Å; V59-S149 PolarHBondContact O-N 3.02Å; V59-L151 HydrophobicContact CG2-CD1 3.43Å; V59-L151 VanDerWaalsContact CG2-CD1 3.43Å; V59-L151 HydrophobicContact CG2-CG 4.05Å; V59-F172 HydrophobicContact CG1-CD2 4.4Å; V59-F172 HydrophobicContact CG1-CG 4.47Å; V59-F172 HydrophobicContact CG2-CB 4.08Å; V59-F172 HydrophobicContact CG2-CD1 4.26Å; V59-F172 HydrophobicContact CG2-CG 4.15Å; V59-F174 HydrophobicContact CB-CE2 3.97Å; V59-F174 HydrophobicContact CB-CZ 4.04Å; V59-F174 HydrophobicContact CG1-CE2 3.79Å; V59-F174 HydrophobicContact CG1-CZ 4.31Å; V59-L195 HydrophobicContact CG1-CD2 4.24Å; V59-R196 CarbonylContact C-O 3.59Å; V59-R196 WeakPolarHBondContact CA-O 3.37Å; V59-V197 HydrophobicContact CG1-CG2 4.17Å; V59-V197 HydrophobicContact CG2-CG2 4.27Å
60	E	93.9	Very high	87.3	Confident	29 Å²	29	26.5 Å²	26.5	14%	0.136	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.7	174.5	177.1	-156.8	-180	0	0	108.6	M147 R194 L195 R196 Y198	E60-M147 CarbonylContact C-O 3.6Å; E60-M147 WeakPolarHBondContact CA-O 3.17Å; E60-R194 VanDerWaalsContact CD-NH1 3.31Å; E60-R194 VanDerWaalsContact CD-NH2 3.28Å; E60-R194 IonicContact OE1-CZ 3.14Å; E60-R194 IonicContact OE1-NH1 3.44Å; E60-R194 IonicContact OE1-NH2 2.78Å; E60-R194 PolarHBondContact OE1-NH2 3.01Å; E60-R194 IonicContact OE2-CZ 3.56Å; E60-R194 IonicContact OE2-NH1 3.7Å; E60-R194 PolarHBondContact OE2-NH1 3.05Å; E60-R194 IonicContact OE2-NH2 3.59Å; E60-R194 PolarHBondContact OE2-NH2 3.19Å; E60-R194 VanDerWaalsContact OE2-NH2 3.15Å; E60-L195 CarbonylContact O-C 3.55Å; E60-L195 WeakPolarHBondContact O-CA 3.35Å; E60-R196 HydrophobicContact CB-CB 4.48Å; E60-R196 PolarHBondContact N-O 2.97Å; E60-R196 PolarHBondContact O-N 3.38Å; E60-Y198 HydrophobicContact CB-CD2 4.46Å; E60-Y198 HydrophobicContact CB-CE2 3.79Å; E60-Y198 HydrophobicContact CG-CE2 4.48Å; E60-Y198 WeakPolarHBondContact OE2-CE2 3.48Å; E60-Y198 PolarHBondContact OE2-OH 3.23Å
61	L	93.2	Very high	85.5	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115	164	173.6	60.9	0	0	0	108.6	I40 S146 M147 F174 L176 L195 L213	I40-L61 HydrophobicContact CD1-CD1 4.43Å; I40-L61 HydrophobicContact CD1-CD2 4.12Å; L61-S146 WeakPolarHBondContact O-CA 3.49Å; L61-M147 HydrophobicContact CB-CB 4.39Å; L61-M147 HydrophobicContact CD2-SD 4.5Å; L61-M147 PolarHBondContact N-O 3.44Å; L61-M147 PolarHBondContact O-N 3.18Å; L61-F174 HydrophobicContact CB-CD1 4.38Å; L61-F174 HydrophobicContact CB-CD2 4Å; L61-F174 HydrophobicContact CB-CE2 4.18Å; L61-F174 HydrophobicContact CB-CG 4.11Å; L61-F174 HydrophobicContact CB-CZ 4.45Å; L61-F174 HydrophobicContact CD2-CB 3.66Å; L61-F174 HydrophobicContact CD2-CD2 4.44Å; L61-F174 HydrophobicContact CD2-CG 4.05Å; L61-L176 HydrophobicContact CD2-CD2 4.16Å; L61-L195 HydrophobicContact CB-CD2 3.86Å; L61-L195 HydrophobicContact CD1-CD2 3.94Å; L61-L195 HydrophobicContact CD1-CG 4.26Å; L61-L195 HydrophobicContact CG-CD2 4.42Å; L61-L213 HydrophobicContact CD1-CD1 3.78Å
62	L	92.4	Very high	83.8	Confident	14 Å²	14	30.8 Å²	30.8	7%	0.073	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.4	173	-175	71	0	0	0	110.7	R64 I143 Y193 R194	L62-R64 HydrophobicContact CD2-CG 4.46Å; L62-I143 HydrophobicContact CD1-CG2 3.93Å; L62-Y193 WeakPolarHBondContact O-CA 3.35Å; L62-R194 HydrophobicContact CB-CG 4.18Å; L62-R194 PolarHBondContact N-O 2.83Å; L62-R194 PolarHBondContact O-N 2.81Å
63	G	92.4	Very high	81.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.4	167.8	0	0	0	0	0	110.8	Y144 C145 E192	G63-Y144 PolarHBondContact O-N 2.82Å; G63-C145 PolarHBondContact N-O 2.97Å; G63-C145 PolarHBondContact N-SG 3.22Å; G63-C145 VanDerWaalsContact N-SG 3.43Å; G63-C145 PolarHBondContact O-N 2.8Å; G63-E192 CarbonylContact C-O 3.49Å; G63-E192 WeakPolarHBondContact CA-O 3.48Å
64	R	91.6	Very high	79.6	Confident	47 Å²	47	44.3 Å²	44.3	18%	0.177	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	153	-177.5	63.1	169.8	-169.5	173.5	5.8	114.2	L62 V66 E141 E142 Y144 I191 E192	L62-R64 HydrophobicContact CD2-CG 4.46Å; R64-V66 HydrophobicContact CG-CG2 4.04Å; R64-E141 WeakPolarHBondContact CD-OE1 3.42Å; R64-E141 IonicContact CZ-OE1 3.49Å; R64-E141 IonicContact NE-OE1 2.7Å; R64-E141 IonicContact NH1-OE1 3.15Å; R64-E141 PolarHBondContact NH1-OE1 3.12Å; R64-E141 IonicContact NH1-OE2 3.4Å; R64-E142 CarbonylContact C-O 3.51Å; R64-E142 WeakPolarHBondContact CA-O 3.34Å; R64-E142 VanDerWaalsContact CB-O 3.3Å; R64-E142 WeakPolarHBondContact CB-O 3.49Å; R64-Y144 VanDerWaalsContact C-CE2 3.48Å; R64-I191 WeakPolarHBondContact O-CA 3.34Å; R64-E192 IonicContact CZ-OE2 3.43Å; R64-E192 PolarHBondContact N-O 2.68Å; R64-E192 IonicContact NE-OE2 3.18Å; R64-E192 IonicContact NH2-OE2 2.83Å; R64-E192 PolarHBondContact NH2-OE2 2.75Å; R64-E192 PolarHBondContact O-N 3.29Å
65	G	90	Very high	77.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.5	167.7	0	0	0	0	0	109.8	E141 E142 S190	G65-E141 CarbonylContact O-C 3.44Å; G65-E141 VanDerWaalsContact O-CA 3.31Å; G65-E141 WeakPolarHBondContact O-CA 3.46Å; G65-E142 PolarHBondContact N-O 3.07Å; G65-E142 PolarHBondContact O-N 2.82Å; G65-S190 WeakPolarHBondContact CA-O 3.23Å
66	V	87.4	Confident	75.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.5	-176.5	177.6	0	0	0	0	109.7	R64 V68 I104 T138 E141 G189 S190	R64-V66 HydrophobicContact CG-CG2 4.04Å; V66-V68 HydrophobicContact CG1-CG1 4.29Å; V66-I104 HydrophobicContact CB-CD1 3.88Å; V66-I104 HydrophobicContact CG1-CD1 3.78Å; V66-I104 HydrophobicContact CG1-CG2 4.17Å; V66-T138 HydrophobicContact CG1-CG2 4.19Å; V66-E141 HydrophobicContact CG2-CG 3.96Å; V66-G189 CarbonylContact O-C 3.58Å; V66-G189 WeakPolarHBondContact O-CA 3.41Å; V66-S190 PolarHBondContact N-O 2.9Å; V66-S190 PolarHBondContact O-N 2.74Å
67	V	82.7	Confident	73.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.9	177.2	-176.2	0	0	0	0	110.2	T138 V139 N140 R188 Y550 I558 C604 I605	V67-T138 WeakPolarHBondContact O-CA 3.39Å; V67-V139 PolarHBondContact O-N 3.48Å; V67-N140 HydrophobicContact CB-CB 4.04Å; V67-N140 HydrophobicContact CG2-CB 4.29Å; V67-N140 PolarHBondContact N-O 3.27Å; V67-N140 PolarHBondContact O-N 3.21Å; V67-R188 CarbonylContact C-O 3.53Å; V67-R188 WeakPolarHBondContact CA-O 3.49Å; V67-Y550 HydrophobicContact CG1-CD1 4.3Å; V67-I558 HydrophobicContact CG1-CD1 3.7Å; V67-C604 HydrophobicContact CG2-CB 3.74Å; V67-I605 HydrophobicContact CG2-CD1 4.1Å; V67-I605 HydrophobicContact CG2-CG1 3.66Å
68	V	77.9	Confident	70.8	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.3	-173.6	-73.7	0	0	0	0	114.3	V66 I104 F136 Q137 R188	V66-V68 HydrophobicContact CG1-CG1 4.29Å; V68-I104 HydrophobicContact CB-CG2 4.5Å; V68-I104 HydrophobicContact CG1-CG2 3.46Å; V68-I104 VanDerWaalsContact CG1-CG2 3.46Å; V68-I104 HydrophobicContact CG2-CD1 4.45Å; V68-I104 HydrophobicContact CG2-CG2 4.27Å; V68-F136 HydrophobicContact CB-CB 4.12Å; V68-F136 HydrophobicContact CB-CD1 3.9Å; V68-F136 HydrophobicContact CB-CG 4.31Å; V68-F136 HydrophobicContact CG1-CB 4.27Å; V68-F136 HydrophobicContact CG2-CD1 3.9Å; V68-F136 HydrophobicContact CG2-CE1 4.39Å; V68-F136 HydrophobicContact CG2-CG 4.41Å; V68-Q137 VanDerWaalsContact CA-O 3.28Å; V68-Q137 WeakPolarHBondContact CA-O 3.37Å; V68-R188 WeakPolarHBondContact CG2-O 3.35Å; V68-R188 PolarHBondContact N-O 3.47Å
69	T	68.8	Low	68.4	Low	32 Å²	32	61 Å²	61	20%	0.196	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.5	174	68.8	0	0	0	0	111.7	Y71 F136 Q137 V139 I558	T69-Y71 PolarHBondContact O-N 3.22Å; T69-F136 WeakPolarHBondContact O-CA 3.32Å; T69-F136 WeakPolarHBondContact O-CD1 3.03Å; T69-Q137 PolarHBondContact N-O 2.94Å; T69-Q137 PolarHBondContact O-N 2.9Å; T69-V139 HydrophobicContact CG2-CB 4.17Å; T69-V139 HydrophobicContact CG2-CG2 3.51Å; T69-V139 WeakPolarHBondContact OG1-CG2 3.37Å; T69-I558 HydrophobicContact CG2-CD1 3.88Å
70	P	64.5	Low	65.8	Low	62 Å²	62	63.2 Å²	63.2	40%	0.403	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	118.5	172.4	26.6	-35	0	0	0	112	K72 F80	P70-K72 PolarHBondContact O-N 3.27Å; P70-F80 HydrophobicContact CB-CE1 4.31Å; P70-F80 HydrophobicContact CB-CE2 3.7Å; P70-F80 HydrophobicContact CB-CZ 3.55Å; P70-F80 HydrophobicContact CG-CZ 4.49Å
71	Y	49.2	Very low	63.4	Low	122 Å²	122	64.3 Å²	64.3	48%	0.478	32%	0.316	S	S	.	.			trans	-75.8	-18	-175.9	-178.4	-121.6	0	0	0	114.6	T69 T135 Q137	T69-Y71 PolarHBondContact O-N 3.22Å; Y71-T135 WeakPolarHBondContact CB-O 3.36Å; Y71-T135 PolarHBondContact N-O 2.97Å; Y71-Q137 HydrophobicContact CD2-CB 4.1Å; Y71-Q137 VanDerWaalsContact CD2-OE1 3.25Å; Y71-Q137 HydrophobicContact CG-CB 4.44Å
72	K	51.3	Low	60.8	Low	116 Å²	116	70.3 Å²	70.3	50%	0.504	34%	0.342	S	S	.	.			trans	-129.6	129.3	-174.3	-70.3	-177	177.6	178.8	0	113.5	P70 I74	P70-K72 PolarHBondContact O-N 3.27Å; K72-I74 HydrophobicContact CD-CD1 4.4Å; K72-I74 PolarHBondContact O-N 2.87Å
73	K	44.8	Very low	58.3	Low	212 Å²	212	71.4 Å²	71.4	92%	0.922	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.3	174.4	-71.8	-177.5	177.6	175.8	0	114.9	F75	K73-F75 PolarHBondContact O-N 3Å; K73-F75 VanDerWaalsContact O-N 3.12Å
74	I	41.7	Very low	55.7	Low	137 Å²	137	72.5 Å²	72.5	70%	0.703	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.2	-167.7	-67.9	177.2	0	0	0	113.5	K72	K72-I74 HydrophobicContact CD-CD1 4.4Å; K72-I74 PolarHBondContact O-N 2.87Å
75	F	39.4	Very low	53.4	Low	124 Å²	124	72.3 Å²	72.3	54%	0.544	36%	0.364	S	S	.	.	S	Bend	trans	-112.7	122.5	168	-79.4	-81.8	0	0	0	112	K73 S77	K73-F75 PolarHBondContact O-N 3Å; K73-F75 VanDerWaalsContact O-N 3.12Å; F75-S77 PolarHBondContact O-N 3.14Å
76	S	44.5	Very low	51.3	Low	92 Å²	92	79.2 Å²	79.2	64%	0.643	40%	0.395	S	S	*	.			trans	-50.2	130.6	162.4	-177.9	0	0	0	0	109.6	K78	S76-K78 PolarHBondContact O-N 3.46Å
77	S	51.3	Low	49.3	Very low	74 Å²	74	81.1 Å²	81.1	52%	0.517	40%	0.403	S	S	.	.	H	α-helix	trans	-53.7	-12.9	-164.3	-163.8	0	0	0	0	116.2	F75 H79	F75-S77 PolarHBondContact O-N 3.14Å; S77-H79 PolarHBondContact O-N 3.05Å
78	K	42.7	Very low	47.4	Very low	79 Å²	79	82 Å²	82	34%	0.343	41%	0.407	S	S	.	.	H	α-helix	trans	-69	-25.6	-170.2	-159	177.6	-174.1	-176.9	0	115.9	S76	S76-K78 PolarHBondContact O-N 3.46Å
79	H	42.9	Very low	45.9	Very low	141 Å²	141	85.4 Å²	85.4	65%	0.653	42%	0.421	S	S	*	.	H	α-helix	trans	-108.7	-36.8	178.4	-73.4	-14.9	0	0	0	113.1	S77 I81 K82 G83	S77-H79 PolarHBondContact O-N 3.05Å; H79-I81 PolarHBondContact O-N 3.48Å; H79-K82 PolarHBondContact O-N 3.23Å; H79-G83 PolarHBondContact O-N 3.26Å; H79-G83 VanDerWaalsContact O-N 3.1Å
80	F	39.7	Very low	44.7	Very low	46 Å²	46	85.8 Å²	85.8	20%	0.202	43%	0.426	C	S	.	.	H	α-helix	trans	-42	-57.5	176.2	-172.8	-74.8	0	0	0	113.3	P70 K82 G83 W84 P134 F136	P70-F80 HydrophobicContact CB-CE1 4.31Å; P70-F80 HydrophobicContact CB-CE2 3.7Å; P70-F80 HydrophobicContact CB-CZ 3.55Å; P70-F80 HydrophobicContact CG-CZ 4.49Å; F80-K82 VanDerWaalsContact C-N 3.35Å; F80-K82 PolarHBondContact O-N 3.2Å; F80-G83 PolarHBondContact O-N 3.24Å; F80-W84 PolarHBondContact O-N 3.26Å; F80-P134 HydrophobicContact CD2-CB 4.41Å; F80-P134 HydrophobicContact CD2-CG 4.19Å; F80-P134 HydrophobicContact CE1-CB 4.43Å; F80-P134 HydrophobicContact CE1-CG 4.15Å; F80-P134 HydrophobicContact CE2-CB 3.4Å; F80-P134 VanDerWaalsContact CE2-CB 3.4Å; F80-P134 HydrophobicContact CE2-CG 3.57Å; F80-P134 HydrophobicContact CZ-CB 3.38Å; F80-P134 HydrophobicContact CZ-CG 3.51Å; F80-F136 AromaticContact CE1-CE1 3.97Å; F80-F136 HydrophobicContact CE1-CE1 3.97Å; F80-F136 AromaticContact CE1-CZ 3.69Å; F80-F136 HydrophobicContact CE1-CZ 3.69Å; F80-F136 AromaticContact CZ-CE1 3.81Å; F80-F136 HydrophobicContact CZ-CE1 3.81Å; F80-F136 HydrophobicContact CZ-CE2 4.31Å; F80-F136 AromaticContact CZ-CZ 3.62Å; F80-F136 HydrophobicContact CZ-CZ 3.62Å
81	I	42.1	Very low	43.6	Very low	51 Å²	51	84.3 Å²	84.3	26%	0.262	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-39.5	-172.1	-60.1	170.6	0	0	0	111.4	H79 T85	H79-I81 PolarHBondContact O-N 3.48Å; I81-T85 WeakPolarHBondContact O-CB 3.28Å; I81-T85 PolarHBondContact O-N 2.91Å; I81-T85 PolarHBondContact O-OG1 3.28Å
82	K	39.2	Very low	43.3	Very low	127 Å²	127	81.5 Å²	81.5	55%	0.552	41%	0.405	S	S	*	.	H	α-helix	trans	-73.2	-30.7	-179.8	-67.2	-158.3	176.4	-157.3	0	112.6	H79 F80 K86	H79-K82 PolarHBondContact O-N 3.23Å; F80-K82 VanDerWaalsContact C-N 3.35Å; F80-K82 PolarHBondContact O-N 3.2Å; K82-K86 WeakPolarHBondContact O-CB 3.49Å
83	G	41.3	Very low	42.8	Very low	36 Å²	36	82 Å²	82	37%	0.371	41%	0.409	S	S	.	.	H	α-helix	trans	-65.6	-63.7	171.3	0	0	0	0	0	111.4	H79 F80 T85 K86 E87	H79-G83 PolarHBondContact O-N 3.26Å; H79-G83 VanDerWaalsContact O-N 3.1Å; F80-G83 PolarHBondContact O-N 3.24Å; G83-T85 VanDerWaalsContact C-N 3.35Å; G83-T85 PolarHBondContact O-N 3.4Å; G83-K86 WeakPolarHBondContact O-CB 3.26Å; G83-K86 PolarHBondContact O-N 2.84Å; G83-E87 PolarHBondContact O-N 3.26Å
84	W	37.4	Very low	42.7	Very low	23 Å²	23	77.3 Å²	77.3	9%	0.087	39%	0.389	C	S	.	.	H	α-helix	trans	-55.2	-44.4	-174.4	-173.4	-119.3	0	0	0	113.7	F80 K86 E87 R88 P134 F136	F80-W84 PolarHBondContact O-N 3.26Å; W84-K86 VanDerWaalsContact C-N 3.32Å; W84-K86 PolarHBondContact O-N 2.94Å; W84-E87 PolarHBondContact O-N 3.11Å; W84-R88 WeakPolarHBondContact O-CB 3.44Å; W84-R88 PolarHBondContact O-N 2.77Å; W84-P134 HydrophobicContact CE3-CG 4.32Å; W84-F136 AromaticContact CD1-CZ 3.69Å; W84-F136 AromaticContact CD2-CE2 3.4Å; W84-F136 HydrophobicContact CD2-CE2 3.4Å; W84-F136 VanDerWaalsContact CD2-CE2 3.4Å; W84-F136 AromaticContact CD2-CZ 3.66Å; W84-F136 HydrophobicContact CD2-CZ 3.66Å; W84-F136 AromaticContact CE2-CE2 3.23Å; W84-F136 AromaticContact CE2-CZ 3.46Å; W84-F136 VanDerWaalsContact CE2-CZ 3.46Å; W84-F136 AromaticContact CE3-CE2 3.64Å; W84-F136 HydrophobicContact CE3-CE2 3.64Å; W84-F136 HydrophobicContact CE3-CZ 4.32Å; W84-F136 HydrophobicContact CG-CE2 4.04Å; W84-F136 AromaticContact CG-CZ 3.8Å; W84-F136 HydrophobicContact CG-CZ 3.8Å; W84-F136 AromaticContact CH2-CD2 3.87Å; W84-F136 HydrophobicContact CH2-CD2 3.87Å; W84-F136 AromaticContact CH2-CE2 3.57Å; W84-F136 HydrophobicContact CH2-CE2 3.57Å; W84-F136 AromaticContact CZ2-CD2 3.81Å; W84-F136 HydrophobicContact CZ2-CD2 3.81Å; W84-F136 AromaticContact CZ2-CE2 3.33Å; W84-F136 HydrophobicContact CZ2-CE2 3.33Å; W84-F136 AromaticContact CZ2-CZ 3.96Å; W84-F136 HydrophobicContact CZ2-CZ 3.96Å; W84-F136 HydrophobicContact CZ3-CD2 4.29Å; W84-F136 AromaticContact CZ3-CE2 3.72Å; W84-F136 HydrophobicContact CZ3-CE2 3.72Å; W84-F136 AromaticContact NE1-CE2 3.79Å; W84-F136 AromaticContact NE1-CZ 3.48Å
85	T	43.5	Very low	42.6	Very low	43 Å²	43	73 Å²	73	26%	0.264	37%	0.365	S	S	.	.	H	α-helix	trans	-69.2	-29	-180	-44	0	0	0	0	112.8	I81 G83 K89	I81-T85 WeakPolarHBondContact O-CB 3.28Å; I81-T85 PolarHBondContact O-N 2.91Å; I81-T85 PolarHBondContact O-OG1 3.28Å; G83-T85 VanDerWaalsContact C-N 3.35Å; G83-T85 PolarHBondContact O-N 3.4Å; T85-K89 HydrophobicContact CG2-CD 4.46Å; T85-K89 WeakPolarHBondContact O-CB 3.34Å; T85-K89 VanDerWaalsContact O-CG 3.28Å; T85-K89 WeakPolarHBondContact O-CG 3.11Å
86	K	45.6	Very low	42.3	Very low	146 Å²	146	70.2 Å²	70.2	64%	0.635	36%	0.36	S	S	*	.	H	α-helix	trans	-73.2	-40.4	173.3	-178.3	-173.8	175.8	-172.4	0	110.5	K82 G83 W84 S90	K82-K86 WeakPolarHBondContact O-CB 3.49Å; G83-K86 WeakPolarHBondContact O-CB 3.26Å; G83-K86 PolarHBondContact O-N 2.84Å; W84-K86 VanDerWaalsContact C-N 3.32Å; W84-K86 PolarHBondContact O-N 2.94Å; K86-S90 WeakPolarHBondContact O-CB 3.07Å; K86-S90 PolarHBondContact O-N 3.23Å
87	E	44.7	Very low	42	Very low	39 Å²	39	74.4 Å²	74.4	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-72.5	-52.6	-176.4	-159	172.6	116.7	0	0	112.1	G83 W84 K89 S90 L91 F129	G83-E87 PolarHBondContact O-N 3.26Å; W84-E87 PolarHBondContact O-N 3.11Å; E87-K89 VanDerWaalsContact C-N 3.25Å; E87-K89 PolarHBondContact O-N 2.81Å; E87-S90 CarbonylContact O-C 3.59Å; E87-S90 WeakPolarHBondContact O-CA 3.36Å; E87-S90 WeakPolarHBondContact O-CB 3.19Å; E87-S90 PolarHBondContact O-N 3.22Å; E87-L91 WeakPolarHBondContact O-CG 3.37Å; E87-L91 PolarHBondContact O-N 2.96Å; E87-F129 HydrophobicContact CG-CZ 4Å; E87-F129 WeakPolarHBondContact OE1-CE1 3.18Å; E87-F129 WeakPolarHBondContact OE1-CZ 3.28Å
88	R	43.1	Very low	41.3	Very low	19 Å²	19	75.2 Å²	75.2	7%	0.072	36%	0.359	C	S	.	.	H	α-helix	trans	-57.3	-38.1	176.2	-172.5	170.3	179.4	152.6	2.1	112	W84 L91 Q92 I104 S190	W84-R88 WeakPolarHBondContact O-CB 3.44Å; W84-R88 PolarHBondContact O-N 2.77Å; R88-L91 PolarHBondContact O-N 3.3Å; R88-Q92 WeakPolarHBondContact O-CB 3.32Å; R88-Q92 VanDerWaalsContact O-CG 3.3Å; R88-Q92 WeakPolarHBondContact O-CG 3.43Å; R88-Q92 PolarHBondContact O-N 2.85Å; R88-I104 VanDerWaalsContact NH1-CG1 3.31Å; R88-S190 PolarHBondContact NH2-OG 2.92Å
89	K	45.8	Very low	40.9	Very low	72 Å²	72	77.5 Å²	77.5	31%	0.313	37%	0.371	S	S	.	.	H	α-helix	trans	-67.7	-39.1	172.5	-73.7	-178	179.3	-176.9	0	112.7	T85 E87 L91 Q92 Q93	T85-K89 HydrophobicContact CG2-CD 4.46Å; T85-K89 WeakPolarHBondContact O-CB 3.34Å; T85-K89 VanDerWaalsContact O-CG 3.28Å; T85-K89 WeakPolarHBondContact O-CG 3.11Å; E87-K89 VanDerWaalsContact C-N 3.25Å; E87-K89 PolarHBondContact O-N 2.81Å; K89-L91 VanDerWaalsContact C-N 3.31Å; K89-L91 PolarHBondContact O-N 2.97Å; K89-Q92 PolarHBondContact O-N 2.8Å; K89-Q93 WeakPolarHBondContact O-CB 3.38Å; K89-Q93 VanDerWaalsContact O-CG 3.27Å; K89-Q93 WeakPolarHBondContact O-CG 3.05Å; K89-Q93 PolarHBondContact O-N 3.45Å
90	S	44.7	Very low	40.6	Very low	41 Å²	41	71.5 Å²	71.5	29%	0.287	35%	0.347	S	S	.	.	H	α-helix	trans	-65.1	-34.4	173.8	-174.3	0	0	0	0	112.4	K86 E87 K94	K86-S90 WeakPolarHBondContact O-CB 3.07Å; K86-S90 PolarHBondContact O-N 3.23Å; E87-S90 CarbonylContact O-C 3.59Å; E87-S90 WeakPolarHBondContact O-CA 3.36Å; E87-S90 WeakPolarHBondContact O-CB 3.19Å; E87-S90 PolarHBondContact O-N 3.22Å; S90-K94 WeakPolarHBondContact O-CB 3.4Å; S90-K94 VanDerWaalsContact O-CG 3.24Å; S90-K94 WeakPolarHBondContact O-CG 3.18Å; S90-K94 PolarHBondContact O-N 3.26Å
91	L	40.6	Very low	40.3	Very low	31 Å²	31	70.1 Å²	70.1	16%	0.162	34%	0.343	C	S	.	.	H	α-helix	trans	-67.4	-50.5	173.4	-64.9	173.6	0	0	0	110.7	E87 R88 K89 Q93 K94 F95 L121	E87-L91 WeakPolarHBondContact O-CG 3.37Å; E87-L91 PolarHBondContact O-N 2.96Å; R88-L91 PolarHBondContact O-N 3.3Å; K89-L91 VanDerWaalsContact C-N 3.31Å; K89-L91 PolarHBondContact O-N 2.97Å; L91-Q93 VanDerWaalsContact C-N 3.25Å; L91-Q93 PolarHBondContact O-N 2.62Å; L91-K94 PolarHBondContact O-N 2.81Å; L91-F95 HydrophobicContact CD2-CD2 4.28Å; L91-F95 HydrophobicContact CD2-CE2 4.08Å; L91-F95 WeakPolarHBondContact O-CB 3.36Å; L91-F95 WeakPolarHBondContact O-CD2 3.22Å; L91-F95 PolarHBondContact O-N 3.24Å; L91-L121 HydrophobicContact CD2-CD1 3.96Å; L91-L121 HydrophobicContact CD2-CD2 4.14Å; L91-L121 HydrophobicContact CD2-CG 4.49Å
92	Q	42.4	Very low	39.9	Very low	62 Å²	62	68 Å²	68	29%	0.29	33%	0.334	S	S	.	.	H	α-helix	trans	-60.4	-30.8	176.7	-71.5	174	-48.3	0	0	113.8	R88 K89	R88-Q92 WeakPolarHBondContact O-CB 3.32Å; R88-Q92 VanDerWaalsContact O-CG 3.3Å; R88-Q92 WeakPolarHBondContact O-CG 3.43Å; R88-Q92 PolarHBondContact O-N 2.85Å; K89-Q92 PolarHBondContact O-N 2.8Å
93	Q	42.2	Very low	39.8	Very low	127 Å²	127	64.4 Å²	64.4	59%	0.593	32%	0.323	S	S	*	.	H	α-helix	trans	-78.4	-37	174.7	-75.6	176.2	-25.5	0	0	113.2	K89 L91	K89-Q93 WeakPolarHBondContact O-CB 3.38Å; K89-Q93 VanDerWaalsContact O-CG 3.27Å; K89-Q93 WeakPolarHBondContact O-CG 3.05Å; K89-Q93 PolarHBondContact O-N 3.45Å; L91-Q93 VanDerWaalsContact C-N 3.25Å; L91-Q93 PolarHBondContact O-N 2.62Å
94	K	41.2	Very low	39.7	Very low	114 Å²	114	63.2 Å²	63.2	50%	0.496	31%	0.308	S	S	.	.	H	α-helix	trans	-75.9	-29	176.4	-76.7	172.1	175.2	174.5	0	113.1	S90 L91 P96 C123	S90-K94 WeakPolarHBondContact O-CB 3.4Å; S90-K94 VanDerWaalsContact O-CG 3.24Å; S90-K94 WeakPolarHBondContact O-CG 3.18Å; S90-K94 PolarHBondContact O-N 3.26Å; L91-K94 PolarHBondContact O-N 2.81Å; K94-P96 WeakPolarHBondContact O-CD 3.26Å; K94-C123 PolarHBondContact NZ-SG 2.86Å
95	F	39.4	Very low	39.6	Very low	45 Å²	45	64.7 Å²	64.7	20%	0.197	32%	0.318	C	S	.	.			trans	-127.9	68.9	-171.3	-57.5	-69.6	0	0	0	110.7	L91 F97 Y98 L121	L91-F95 HydrophobicContact CD2-CD2 4.28Å; L91-F95 HydrophobicContact CD2-CE2 4.08Å; L91-F95 WeakPolarHBondContact O-CB 3.36Å; L91-F95 WeakPolarHBondContact O-CD2 3.22Å; L91-F95 PolarHBondContact O-N 3.24Å; F95-F97 PolarHBondContact O-N 3.2Å; F95-Y98 HydrophobicContact CB-CD2 3.78Å; F95-Y98 HydrophobicContact CB-CE2 4.46Å; F95-Y98 HydrophobicContact CB-CG 4.43Å; F95-Y98 PolarHBondContact O-N 3.2Å; F95-L121 HydrophobicContact CD2-CD2 4.34Å; F95-L121 HydrophobicContact CE2-CB 4.45Å; F95-L121 HydrophobicContact CE2-CD2 3.89Å; F95-L121 HydrophobicContact CZ-CD2 4.38Å
96	P	34.6	Very low	38.9	Very low	66 Å²	66	64.6 Å²	64.6	43%	0.429	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-60.7	-26.7	-179.1	24.6	-34.4	0	0	0	113.4	K94 Y98 Q99	K94-P96 WeakPolarHBondContact O-CD 3.26Å; P96-Y98 PolarHBondContact O-N 3.09Å; P96-Y98 VanDerWaalsContact O-N 3.15Å; P96-Q99 VanDerWaalsContact O-CB 3.26Å; P96-Q99 WeakPolarHBondContact O-CB 3.49Å; P96-Q99 VanDerWaalsContact O-CG 3.25Å; P96-Q99 WeakPolarHBondContact O-CG 3.11Å; P96-Q99 PolarHBondContact O-N 3.11Å
97	F	37.9	Very low	38.1	Very low	180 Å²	180	59.6 Å²	59.6	79%	0.789	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-62.5	-15.3	173	-63.5	-81.2	0	0	0	114.3	F95	F95-F97 PolarHBondContact O-N 3.2Å
98	Y	36.6	Very low	37.6	Very low	92 Å²	92	60.3 Å²	60.3	36%	0.361	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-93.5	11.7	172.7	-71.4	-106	0	0	0	112.4	F95 P96 G100 V101 C103	F95-Y98 HydrophobicContact CB-CD2 3.78Å; F95-Y98 HydrophobicContact CB-CE2 4.46Å; F95-Y98 HydrophobicContact CB-CG 4.43Å; F95-Y98 PolarHBondContact O-N 3.2Å; P96-Y98 PolarHBondContact O-N 3.09Å; P96-Y98 VanDerWaalsContact O-N 3.15Å; Y98-G100 VanDerWaalsContact C-N 3.28Å; Y98-G100 PolarHBondContact O-N 2.94Å; Y98-V101 HydrophobicContact CD1-CB 3.93Å; Y98-V101 HydrophobicContact CD1-CG1 4.11Å; Y98-V101 CarbonylContact O-C 3.59Å; Y98-V101 PolarHBondContact O-N 3.37Å; Y98-C103 WeakPolarHBondContact CD1-SG 3.44Å
99	Q	35.1	Very low	37	Very low	126 Å²	126	65.1 Å²	65.1	59%	0.589	34%	0.34	S	S	*	.	S	Bend	trans	-74.2	82.2	169.8	-67.6	179.5	30.7	0	0	110.5	P96	P96-Q99 VanDerWaalsContact O-CB 3.26Å; P96-Q99 WeakPolarHBondContact O-CB 3.49Å; P96-Q99 VanDerWaalsContact O-CG 3.25Å; P96-Q99 WeakPolarHBondContact O-CG 3.11Å; P96-Q99 PolarHBondContact O-N 3.11Å
100	G	34.6	Very low	36.3	Very low	15 Å²	15	63.3 Å²	63.3	16%	0.155	34%	0.342	C	S	.	.	S	Bend	trans	147.9	-42.3	-175.4	0	0	0	0	0	110.2	Y98 G102 E192 Y193 L213	Y98-G100 VanDerWaalsContact C-N 3.28Å; Y98-G100 PolarHBondContact O-N 2.94Å; G100-G102 PolarHBondContact O-N 3.42Å; G100-G102 VanDerWaalsContact O-N 3.16Å; G100-E192 WeakPolarHBondContact O-CA 3.2Å; G100-Y193 PolarHBondContact O-N 3.11Å; G100-L213 WeakPolarHBondContact CA-O 3.33Å
101	V	34.4	Very low	35.4	Very low	18 Å²	18	67.7 Å²	67.7	11%	0.109	37%	0.369	C	S	.	.	S	Bend	trans	-80.7	85.9	163.2	-165.7	0	0	0	0	109	Y98 C103 R194	Y98-V101 HydrophobicContact CD1-CB 3.93Å; Y98-V101 HydrophobicContact CD1-CG1 4.11Å; Y98-V101 CarbonylContact O-C 3.59Å; Y98-V101 PolarHBondContact O-N 3.37Å; V101-C103 PolarHBondContact O-N 2.89Å; V101-R194 HydrophobicContact CG2-CB 4.12Å
102	G	34	Very low	35.2	Very low	7 Å²	7	69.6 Å²	69.6	7%	0.072	38%	0.382	C	S	.	.			trans	-59.6	106.5	169.9	0	0	0	0	0	110.2	G100 I104 E192	G100-G102 PolarHBondContact O-N 3.42Å; G100-G102 VanDerWaalsContact O-N 3.16Å; G102-I104 PolarHBondContact O-N 2.86Å; G102-E192 WeakPolarHBondContact CA-OE1 3.45Å
103	C	36	Very low	34.8	Very low	50 Å²	50	71.7 Å²	71.7	34%	0.338	40%	0.395	S	S	.	.			trans	-74.3	68.8	174.2	-65.5	0	0	0	0	111.1	Y98 V101	Y98-C103 WeakPolarHBondContact CD1-SG 3.44Å; V101-C103 PolarHBondContact O-N 2.89Å
104	I	39.6	Very low	34.7	Very low	11 Å²	11	67.8 Å²	67.8	6%	0.056	38%	0.381	C	S	.	.			trans	-72.9	116.5	151.8	-62.4	177.2	0	0	0	106.3	V66 V68 R88 G102 S106 S190	V66-I104 HydrophobicContact CB-CD1 3.88Å; V66-I104 HydrophobicContact CG1-CD1 3.78Å; V66-I104 HydrophobicContact CG1-CG2 4.17Å; V68-I104 HydrophobicContact CB-CG2 4.5Å; V68-I104 HydrophobicContact CG1-CG2 3.46Å; V68-I104 VanDerWaalsContact CG1-CG2 3.46Å; V68-I104 HydrophobicContact CG2-CD1 4.45Å; V68-I104 HydrophobicContact CG2-CG2 4.27Å; R88-I104 VanDerWaalsContact NH1-CG1 3.31Å; G102-I104 PolarHBondContact O-N 2.86Å; I104-S106 VanDerWaalsContact CG2-OG 3.24Å; I104-S106 WeakPolarHBondContact CG2-OG 3.28Å; I104-S106 PolarHBondContact O-N 3.46Å; I104-S190 VanDerWaalsContact CD1-OG 3.24Å; I104-S190 WeakPolarHBondContact CD1-OG 3.4Å
105	I	34.8	Very low	34.7	Very low	55 Å²	55	69 Å²	69	28%	0.282	39%	0.389	S	S	.	.			trans	-80.7	63.7	175.7	-50.6	169.5	0	0	0	108.7	G107 I108 L117	I105-G107 PolarHBondContact O-N 3.04Å; I105-G107 VanDerWaalsContact O-N 3.12Å; I105-I108 HydrophobicContact CB-CD1 4.36Å; I105-I108 HydrophobicContact CB-CG1 4.5Å; I105-I108 HydrophobicContact CG2-CD1 3.93Å; I105-I108 HydrophobicContact CG2-CG1 3.7Å; I105-L117 HydrophobicContact CD1-CD2 4.43Å
106	S	30.2	Very low	34.9	Very low	40 Å²	40	68.7 Å²	68.7	28%	0.28	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	95	167.5	-69.6	0	0	0	0	107.9	I104 T138	I104-S106 VanDerWaalsContact CG2-OG 3.24Å; I104-S106 WeakPolarHBondContact CG2-OG 3.28Å; I104-S106 PolarHBondContact O-N 3.46Å; S106-T138 WeakPolarHBondContact CB-OG1 3.42Å; S106-T138 PolarHBondContact OG-OG1 3.48Å
107	G	28.6	Very low	35	Very low	41 Å²	41	67.4 Å²	67.4	42%	0.423	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	169.6	-12.3	-175.1	0	0	0	0	0	116.6	I105 N109 G110	I105-G107 PolarHBondContact O-N 3.04Å; I105-G107 VanDerWaalsContact O-N 3.12Å; G107-N109 PolarHBondContact O-N 3.21Å; G107-G110 PolarHBondContact O-N 3.44Å
108	I	34.4	Very low	35	Very low	55 Å²	55	62.6 Å²	62.6	28%	0.282	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	13.2	-177.9	-36	176.7	0	0	0	113.2	I105 I133	I105-I108 HydrophobicContact CB-CD1 4.36Å; I105-I108 HydrophobicContact CB-CG1 4.5Å; I105-I108 HydrophobicContact CG2-CD1 3.93Å; I105-I108 HydrophobicContact CG2-CG1 3.7Å; I108-I133 HydrophobicContact CD1-CG2 3.74Å
109	N	31	Very low	35.1	Very low	119 Å²	119	62.9 Å²	62.9	64%	0.636	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-16.4	164.7	-71.6	9.3	0	0	0	111.9	G107	G107-N109 PolarHBondContact O-N 3.21Å
110	G	29.8	Very low	35.2	Very low	35 Å²	35	64.6 Å²	64.6	36%	0.361	37%	0.37	S	S	.	.	S	Bend	trans	-89.2	153.2	163.8	0	0	0	0	0	111.3	G107 V112	G107-G110 PolarHBondContact O-N 3.44Å; G110-V112 VanDerWaalsContact C-N 3.31Å; G110-V112 PolarHBondContact O-N 2.92Å
111	P	27.2	Very low	35.5	Very low	132 Å²	132	65.5 Å²	65.5	86%	0.857	37%	0.371	S	S	*	.			trans	-71.4	86.3	172.3	30.9	-33.9	0	0	0	109.9
112	V	35.1	Very low	35.7	Very low	71 Å²	71	73.3 Å²	73.3	43%	0.43	40%	0.404	S	S	.	.			trans	-95.9	113.6	172.9	-178.8	0	0	0	0	108.4	G110 I116	G110-V112 VanDerWaalsContact C-N 3.31Å; G110-V112 PolarHBondContact O-N 2.92Å; V112-I116 HydrophobicContact CG1-CB 4.22Å; V112-I116 HydrophobicContact CG1-CD1 4.25Å; V112-I116 HydrophobicContact CG1-CG2 4.4Å
113	D	34.8	Very low	35.8	Very low	106 Å²	106	74 Å²	74	57%	0.567	41%	0.408	S	S	*	.			trans	-60.1	137	-178.7	-73.2	-57.3	0	0	0	112	E115 I116	D113-E115 PolarHBondContact O-N 3.38Å; D113-I116 HydrophobicContact CB-CD1 4.17Å; D113-I116 HydrophobicContact CB-CG1 4.25Å; D113-I116 WeakPolarHBondContact O-CB 3.26Å; D113-I116 PolarHBondContact O-N 3.07Å
114	P	39.5	Very low	36.1	Very low	45 Å²	45	82.4 Å²	82.4	29%	0.292	44%	0.438	S	S	.	.	H	α-helix	trans	-65.7	-12.4	-175.5	27	-35.5	0	0	0	113.6	Q118	P114-Q118 WeakPolarHBondContact O-CG 3.44Å; P114-Q118 PolarHBondContact O-N 3.34Å; P114-Q118 PolarHBondContact O-NE2 3.46Å
115	E	40.9	Very low	36	Very low	141 Å²	141	87 Å²	87	66%	0.659	47%	0.472	S	S	*	.	H	α-helix	trans	-75.1	-28.7	171.5	-57.6	-160.3	140.9	0	0	112.7	D113 L117 Q118 T119	D113-E115 PolarHBondContact O-N 3.38Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 3.23Å; E115-Q118 PolarHBondContact O-N 3.04Å; E115-T119 WeakPolarHBondContact O-CG2 3.39Å; E115-T119 PolarHBondContact O-N 2.94Å; E115-T119 PolarHBondContact O-OG1 3.03Å
116	I	43.1	Very low	36.2	Very low	37 Å²	37	85.8 Å²	85.8	19%	0.19	47%	0.465	C	S	.	.	H	α-helix	trans	-65.9	-36.6	174.5	-56.6	174.1	0	0	0	109.9	D10 V112 D113 T119 R120	D10-I116 HydrophobicContact CB-CD1 4.38Å; V112-I116 HydrophobicContact CG1-CB 4.22Å; V112-I116 HydrophobicContact CG1-CD1 4.25Å; V112-I116 HydrophobicContact CG1-CG2 4.4Å; D113-I116 HydrophobicContact CB-CD1 4.17Å; D113-I116 HydrophobicContact CB-CG1 4.25Å; D113-I116 WeakPolarHBondContact O-CB 3.26Å; D113-I116 PolarHBondContact O-N 3.07Å; I116-T119 WeakPolarHBondContact CA-OG1 3.46Å; I116-T119 PolarHBondContact O-OG1 3.1Å; I116-T119 VanDerWaalsContact O-OG1 3.11Å; I116-R120 WeakPolarHBondContact O-CB 3.45Å; I116-R120 VanDerWaalsContact O-CG 3.27Å; I116-R120 WeakPolarHBondContact O-CG 3.41Å; I116-R120 PolarHBondContact O-N 3.05Å; I116-R120 VanDerWaalsContact O-N 3.11Å
117	L	38.5	Very low	36.6	Very low	39 Å²	39	94.7 Å²	94.7	20%	0.204	50%	0.498	C	S	.	.	H	α-helix	trans	-67.7	-41.3	172.3	-67.3	176.5	0	0	0	112	I105 E115 L121 I133	I105-L117 HydrophobicContact CD1-CD2 4.43Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 3.23Å; L117-L121 VanDerWaalsContact O-CB 3.26Å; L117-L121 WeakPolarHBondContact O-CB 3.4Å; L117-L121 PolarHBondContact O-N 3.35Å; L117-I133 HydrophobicContact CD1-CD1 4.36Å
118	Q	36.9	Very low	37	Very low	80 Å²	80	94.9 Å²	94.9	37%	0.374	50%	0.5	S	S	.	.	H	α-helix	trans	-67.4	-37.7	178.6	-73.7	176	81.6	0	0	113.3	P114 E115 L121 M126	P114-Q118 WeakPolarHBondContact O-CG 3.44Å; P114-Q118 PolarHBondContact O-N 3.34Å; P114-Q118 PolarHBondContact O-NE2 3.46Å; E115-Q118 PolarHBondContact O-N 3.04Å; Q118-L121 CarbonylContact O-C 3.49Å; Q118-M126 HydrophobicContact CG-CB 4.25Å; Q118-M126 HydrophobicContact CG-SD 3.81Å
119	T	38.5	Very low	37.2	Very low	97 Å²	97	94.8 Å²	94.8	60%	0.595	50%	0.498	S	S	*	.	H	α-helix	trans	-73.4	-39.7	178.5	47.5	0	0	0	0	112.4	E115 I116	E115-T119 WeakPolarHBondContact O-CG2 3.39Å; E115-T119 PolarHBondContact O-N 2.94Å; E115-T119 PolarHBondContact O-OG1 3.03Å; I116-T119 WeakPolarHBondContact CA-OG1 3.46Å; I116-T119 PolarHBondContact O-OG1 3.1Å; I116-T119 VanDerWaalsContact O-OG1 3.11Å
120	R	38	Very low	37.7	Very low	163 Å²	163	94.6 Å²	94.6	62%	0.615	50%	0.497	S	S	*	.	H	α-helix	trans	-69.7	-39.5	173.2	-66.4	179	-170.1	-142.6	3.9	111.8	D10 I116	D10-R120 IonicContact OD1-NH2 3.99Å; D10-R120 IonicContact OD2-CZ 2.78Å; D10-R120 IonicContact OD2-NH2 3.4Å; D10-R120 PolarHBondContact OD2-NH2 3.02Å; I116-R120 WeakPolarHBondContact O-CB 3.45Å; I116-R120 VanDerWaalsContact O-CG 3.27Å; I116-R120 WeakPolarHBondContact O-CG 3.41Å; I116-R120 PolarHBondContact O-N 3.05Å; I116-R120 VanDerWaalsContact O-N 3.11Å
121	L	39.4	Very low	38.2	Very low	33 Å²	33	101.5 Å²	101.5	17%	0.173	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	66.8	-178.3	-56.7	175.9	0	0	0	112.3	L91 F95 L117 Q118 C123	L91-L121 HydrophobicContact CD2-CD1 3.96Å; L91-L121 HydrophobicContact CD2-CD2 4.14Å; L91-L121 HydrophobicContact CD2-CG 4.49Å; F95-L121 HydrophobicContact CD2-CD2 4.34Å; F95-L121 HydrophobicContact CE2-CB 4.45Å; F95-L121 HydrophobicContact CE2-CD2 3.89Å; F95-L121 HydrophobicContact CZ-CD2 4.38Å; L117-L121 VanDerWaalsContact O-CB 3.26Å; L117-L121 WeakPolarHBondContact O-CB 3.4Å; L117-L121 PolarHBondContact O-N 3.35Å; Q118-L121 CarbonylContact O-C 3.49Å; L121-C123 VanDerWaalsContact O-CB 3.26Å; L121-C123 WeakPolarHBondContact O-CB 3.4Å; L121-C123 PolarHBondContact O-N 3.47Å; L121-C123 PolarHBondContact O-SG 2.99Å
122	K	39	Very low	38.6	Very low	182 Å²	182	101.4 Å²	101.4	79%	0.791	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-37.5	85.5	-178.3	-69.1	-178.7	178	175.9	0	114.9
123	C	35.6	Very low	38.9	Very low	23 Å²	23	100 Å²	100	16%	0.155	50%	0.499	C	S	.	.			trans	-136.6	101.5	-175.3	-72.7	0	0	0	0	109.9	K94 L121 S125 M126	K94-C123 PolarHBondContact NZ-SG 2.86Å; L121-C123 VanDerWaalsContact O-CB 3.26Å; L121-C123 WeakPolarHBondContact O-CB 3.4Å; L121-C123 PolarHBondContact O-N 3.47Å; L121-C123 PolarHBondContact O-SG 2.99Å; C123-S125 PolarHBondContact O-N 3.36Å; C123-M126 HydrophobicContact CB-CE 3.85Å; C123-M126 HydrophobicContact CB-CG 4.43Å
124	K	42.6	Very low	39.2	Very low	226 Å²	226	95.7 Å²	95.7	98%	0.983	48%	0.476	S	S	*	.	S	Bend	trans	-67.7	21	-170.8	-61.4	-172.2	174.8	-174.2	0	116.5
125	S	39.1	Very low	39.8	Very low	108 Å²	108	95.2 Å²	95.2	76%	0.755	47%	0.473	S	S	*	.			trans	-159.8	100	176.5	-176	0	0	0	0	111.1	C123	C123-S125 PolarHBondContact O-N 3.36Å
126	M	37.8	Very low	40.7	Very low	29 Å²	29	89.1 Å²	89.1	14%	0.143	44%	0.444	C	S	.	.			trans	-137.1	21.2	-178.4	-78.8	-157.3	169.7	0	0	115	Q118 C123 G128 F129	Q118-M126 HydrophobicContact CG-CB 4.25Å; Q118-M126 HydrophobicContact CG-SD 3.81Å; C123-M126 HydrophobicContact CB-CE 3.85Å; C123-M126 HydrophobicContact CB-CG 4.43Å; M126-G128 PolarHBondContact O-N 2.96Å; M126-F129 HydrophobicContact CB-CD2 4.26Å; M126-F129 HydrophobicContact CB-CG 4.49Å; M126-F129 HydrophobicContact CE-CD1 3.95Å; M126-F129 HydrophobicContact CE-CD2 4.06Å; M126-F129 HydrophobicContact CE-CE1 3.54Å; M126-F129 HydrophobicContact CE-CE2 3.66Å; M126-F129 HydrophobicContact CE-CG 4.21Å; M126-F129 HydrophobicContact CE-CZ 3.39Å; M126-F129 HydrophobicContact CG-CD2 3.82Å; M126-F129 HydrophobicContact CG-CE2 4.14Å; M126-F129 HydrophobicContact CG-CG 4.21Å; M126-F129 PolarHBondContact O-N 3.32Å; M126-F129 HydrophobicContact SD-CB 4.43Å; M126-F129 HydrophobicContact SD-CD1 3.86Å; M126-F129 HydrophobicContact SD-CD2 3.9Å; M126-F129 HydrophobicContact SD-CE1 4.11Å; M126-F129 HydrophobicContact SD-CE2 4.14Å; M126-F129 HydrophobicContact SD-CG 3.78Å; M126-F129 HydrophobicContact SD-CZ 4.25Å
127	K	39	Very low	42	Very low	226 Å²	226	91.3 Å²	91.3	98%	0.983	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	79.8	170.4	-73.6	-170.6	176.1	-176.7	0	111
128	G	37.8	Very low	44	Very low	45 Å²	45	91.5 Å²	91.5	46%	0.464	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	156.1	-14.9	-179.2	0	0	0	0	0	115.8	M126 N130 K131	M126-G128 PolarHBondContact O-N 2.96Å; G128-N130 PolarHBondContact O-N 2.93Å; G128-K131 PolarHBondContact O-N 3.39Å
129	F	38	Very low	45.9	Very low	54 Å²	54	89 Å²	89	24%	0.237	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-57	-45.3	-172.6	-113.2	-116.3	0	0	0	113.5	E87 M126 K131 L132 I133	E87-F129 HydrophobicContact CG-CZ 4Å; E87-F129 WeakPolarHBondContact OE1-CE1 3.18Å; E87-F129 WeakPolarHBondContact OE1-CZ 3.28Å; M126-F129 HydrophobicContact CB-CD2 4.26Å; M126-F129 HydrophobicContact CB-CG 4.49Å; M126-F129 HydrophobicContact CE-CD1 3.95Å; M126-F129 HydrophobicContact CE-CD2 4.06Å; M126-F129 HydrophobicContact CE-CE1 3.54Å; M126-F129 HydrophobicContact CE-CE2 3.66Å; M126-F129 HydrophobicContact CE-CG 4.21Å; M126-F129 HydrophobicContact CE-CZ 3.39Å; M126-F129 HydrophobicContact CG-CD2 3.82Å; M126-F129 HydrophobicContact CG-CE2 4.14Å; M126-F129 HydrophobicContact CG-CG 4.21Å; M126-F129 PolarHBondContact O-N 3.32Å; M126-F129 HydrophobicContact SD-CB 4.43Å; M126-F129 HydrophobicContact SD-CD1 3.86Å; M126-F129 HydrophobicContact SD-CD2 3.9Å; M126-F129 HydrophobicContact SD-CE1 4.11Å; M126-F129 HydrophobicContact SD-CE2 4.14Å; M126-F129 HydrophobicContact SD-CG 3.78Å; M126-F129 HydrophobicContact SD-CZ 4.25Å; F129-K131 PolarHBondContact O-N 2.93Å; F129-L132 PolarHBondContact O-N 3.32Å; F129-I133 HydrophobicContact CB-CD1 4.23Å; F129-I133 HydrophobicContact CB-CG1 4.5Å; F129-I133 HydrophobicContact CD1-CD1 3.96Å; F129-I133 HydrophobicContact CD1-CG1 3.81Å; F129-I133 HydrophobicContact CE1-CG1 4.5Å; F129-I133 WeakPolarHBondContact O-CG1 3.34Å; F129-I133 PolarHBondContact O-N 3.04Å
130	N	40.3	Very low	48.1	Very low	114 Å²	114	85.2 Å²	85.2	61%	0.61	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-60.5	-16	-175.8	-57.5	17.6	0	0	0	114.8	G128	G128-N130 PolarHBondContact O-N 2.93Å
131	K	40.1	Very low	50.5	Low	180 Å²	180	81.3 Å²	81.3	78%	0.783	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-94	-8.1	174.3	-81	-172.2	173.7	-179.2	0	114.1	G128 F129	G128-K131 PolarHBondContact O-N 3.39Å; F129-K131 PolarHBondContact O-N 2.93Å
132	L	35.9	Very low	52.9	Low	130 Å²	130	81.2 Å²	81.2	68%	0.681	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-22	-173.2	-69.2	176.7	0	0	0	114.4	F129 P134	F129-L132 PolarHBondContact O-N 3.32Å; L132-P134 WeakPolarHBondContact O-CD 3.46Å
133	I	41.1	Very low	55.5	Low	43 Å²	43	77.7 Å²	77.7	22%	0.221	40%	0.398	C	S	.	.			trans	-58.9	121.2	172.2	-62.3	158.2	0	0	0	109	I108 L117 F129	I108-I133 HydrophobicContact CD1-CG2 3.74Å; L117-I133 HydrophobicContact CD1-CD1 4.36Å; F129-I133 HydrophobicContact CB-CD1 4.23Å; F129-I133 HydrophobicContact CB-CG1 4.5Å; F129-I133 HydrophobicContact CD1-CD1 3.96Å; F129-I133 HydrophobicContact CD1-CG1 3.81Å; F129-I133 HydrophobicContact CE1-CG1 4.5Å; F129-I133 WeakPolarHBondContact O-CG1 3.34Å; F129-I133 PolarHBondContact O-N 3.04Å
134	P	42.3	Very low	58.2	Low	15 Å²	15	78.4 Å²	78.4	10%	0.097	40%	0.398	C	S	.	.			trans	-70.3	133.1	165.9	-20.8	36.3	0	0	0	111.2	F80 W84 L132 F136	F80-P134 HydrophobicContact CD2-CB 4.41Å; F80-P134 HydrophobicContact CD2-CG 4.19Å; F80-P134 HydrophobicContact CE1-CB 4.43Å; F80-P134 HydrophobicContact CE1-CG 4.15Å; F80-P134 HydrophobicContact CE2-CB 3.4Å; F80-P134 VanDerWaalsContact CE2-CB 3.4Å; F80-P134 HydrophobicContact CE2-CG 3.57Å; F80-P134 HydrophobicContact CZ-CB 3.38Å; F80-P134 HydrophobicContact CZ-CG 3.51Å; W84-P134 HydrophobicContact CE3-CG 4.32Å; L132-P134 WeakPolarHBondContact O-CD 3.46Å; P134-F136 HydrophobicContact CB-CD2 3.7Å; P134-F136 HydrophobicContact CB-CE2 3.41Å; P134-F136 VanDerWaalsContact CB-CE2 3.41Å; P134-F136 HydrophobicContact CB-CG 4.43Å; P134-F136 HydrophobicContact CB-CZ 3.95Å; P134-F136 HydrophobicContact CG-CD2 4.31Å; P134-F136 HydrophobicContact CG-CE2 3.56Å; P134-F136 HydrophobicContact CG-CZ 4.01Å; P134-F136 PolarHBondContact O-N 3.33Å; P134-F136 VanDerWaalsContact O-N 3.1Å
135	T	51.9	Low	60.5	Low	35 Å²	35	68.1 Å²	68.1	22%	0.215	35%	0.354	C	S	.	.			trans	-66	105.8	150.6	50.3	0	0	0	0	107.4	Y71	Y71-T135 WeakPolarHBondContact CB-O 3.36Å; Y71-T135 PolarHBondContact N-O 2.97Å
136	F	60.4	Low	63.1	Low	13 Å²	13	67 Å²	67	6%	0.057	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.3	166.8	-77.7	-80.8	0	0	0	109.6	V68 T69 F80 W84 P134	V68-F136 HydrophobicContact CB-CB 4.12Å; V68-F136 HydrophobicContact CB-CD1 3.9Å; V68-F136 HydrophobicContact CB-CG 4.31Å; V68-F136 HydrophobicContact CG1-CB 4.27Å; V68-F136 HydrophobicContact CG2-CD1 3.9Å; V68-F136 HydrophobicContact CG2-CE1 4.39Å; V68-F136 HydrophobicContact CG2-CG 4.41Å; T69-F136 WeakPolarHBondContact O-CA 3.32Å; T69-F136 WeakPolarHBondContact O-CD1 3.03Å; F80-F136 AromaticContact CE1-CE1 3.97Å; F80-F136 HydrophobicContact CE1-CE1 3.97Å; F80-F136 AromaticContact CE1-CZ 3.69Å; F80-F136 HydrophobicContact CE1-CZ 3.69Å; F80-F136 AromaticContact CZ-CE1 3.81Å; F80-F136 HydrophobicContact CZ-CE1 3.81Å; F80-F136 HydrophobicContact CZ-CE2 4.31Å; F80-F136 AromaticContact CZ-CZ 3.62Å; F80-F136 HydrophobicContact CZ-CZ 3.62Å; W84-F136 AromaticContact CD1-CZ 3.69Å; W84-F136 AromaticContact CD2-CE2 3.4Å; W84-F136 HydrophobicContact CD2-CE2 3.4Å; W84-F136 VanDerWaalsContact CD2-CE2 3.4Å; W84-F136 AromaticContact CD2-CZ 3.66Å; W84-F136 HydrophobicContact CD2-CZ 3.66Å; W84-F136 AromaticContact CE2-CE2 3.23Å; W84-F136 AromaticContact CE2-CZ 3.46Å; W84-F136 VanDerWaalsContact CE2-CZ 3.46Å; W84-F136 AromaticContact CE3-CE2 3.64Å; W84-F136 HydrophobicContact CE3-CE2 3.64Å; W84-F136 HydrophobicContact CE3-CZ 4.32Å; W84-F136 HydrophobicContact CG-CE2 4.04Å; W84-F136 AromaticContact CG-CZ 3.8Å; W84-F136 HydrophobicContact CG-CZ 3.8Å; W84-F136 AromaticContact CH2-CD2 3.87Å; W84-F136 HydrophobicContact CH2-CD2 3.87Å; W84-F136 AromaticContact CH2-CE2 3.57Å; W84-F136 HydrophobicContact CH2-CE2 3.57Å; W84-F136 AromaticContact CZ2-CD2 3.81Å; W84-F136 HydrophobicContact CZ2-CD2 3.81Å; W84-F136 AromaticContact CZ2-CE2 3.33Å; W84-F136 HydrophobicContact CZ2-CE2 3.33Å; W84-F136 AromaticContact CZ2-CZ 3.96Å; W84-F136 HydrophobicContact CZ2-CZ 3.96Å; W84-F136 HydrophobicContact CZ3-CD2 4.29Å; W84-F136 AromaticContact CZ3-CE2 3.72Å; W84-F136 HydrophobicContact CZ3-CE2 3.72Å; W84-F136 AromaticContact NE1-CE2 3.79Å; W84-F136 AromaticContact NE1-CZ 3.48Å; P134-F136 HydrophobicContact CB-CD2 3.7Å; P134-F136 HydrophobicContact CB-CE2 3.41Å; P134-F136 VanDerWaalsContact CB-CE2 3.41Å; P134-F136 HydrophobicContact CB-CG 4.43Å; P134-F136 HydrophobicContact CB-CZ 3.95Å; P134-F136 HydrophobicContact CG-CD2 4.31Å; P134-F136 HydrophobicContact CG-CE2 3.56Å; P134-F136 HydrophobicContact CG-CZ 4.01Å; P134-F136 PolarHBondContact O-N 3.33Å; P134-F136 VanDerWaalsContact O-N 3.1Å
137	Q	70.2	Confident	65.8	Low	82 Å²	82	68.6 Å²	68.6	38%	0.383	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132	166.6	179.4	173.4	6.7	0	0	108.6	V68 T69 Y71 V139	V68-Q137 VanDerWaalsContact CA-O 3.28Å; V68-Q137 WeakPolarHBondContact CA-O 3.37Å; T69-Q137 PolarHBondContact N-O 2.94Å; T69-Q137 PolarHBondContact O-N 2.9Å; Y71-Q137 HydrophobicContact CD2-CB 4.1Å; Y71-Q137 VanDerWaalsContact CD2-OE1 3.25Å; Y71-Q137 HydrophobicContact CG-CB 4.44Å; Q137-V139 HydrophobicContact CG-CG2 4.42Å; Q137-V139 PolarHBondContact O-N 3.25Å
138	T	79.3	Confident	68.4	Low	43 Å²	43	63 Å²	63	26%	0.264	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	122.7	162.6	-60.1	0	0	0	0	108.5	V66 V67 S106 N140 E141	V66-T138 HydrophobicContact CG1-CG2 4.19Å; V67-T138 WeakPolarHBondContact O-CA 3.39Å; S106-T138 WeakPolarHBondContact CB-OG1 3.42Å; S106-T138 PolarHBondContact OG-OG1 3.48Å; T138-N140 VanDerWaalsContact CG2-O 3.32Å; T138-N140 WeakPolarHBondContact CG2-O 3.36Å; T138-E141 HydrophobicContact CG2-CB 3.85Å
139	V	77.6	Confident	71	Confident	28 Å²	28	62.8 Å²	62.8	17%	0.17	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-13.6	177.7	-168.4	0	0	0	0	111.4	V67 T69 Q137 D552 W553 I558	V67-V139 PolarHBondContact O-N 3.48Å; T69-V139 HydrophobicContact CG2-CB 4.17Å; T69-V139 HydrophobicContact CG2-CG2 3.51Å; T69-V139 WeakPolarHBondContact OG1-CG2 3.37Å; Q137-V139 HydrophobicContact CG-CG2 4.42Å; Q137-V139 PolarHBondContact O-N 3.25Å; V139-D552 HydrophobicContact CG1-CB 3.69Å; V139-W553 PolarHBondContact O-N 3.42Å; V139-I558 HydrophobicContact CB-CD1 4.08Å; V139-I558 HydrophobicContact CG1-CD1 4.06Å
140	N	84.6	Confident	73.6	Confident	17 Å²	17	63.8 Å²	63.8	9%	0.091	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	144.3	160.8	-155.5	-11.6	0	0	0	110.1	V67 T138 R551 D552 C604	V67-N140 HydrophobicContact CB-CB 4.04Å; V67-N140 HydrophobicContact CG2-CB 4.29Å; V67-N140 PolarHBondContact N-O 3.27Å; V67-N140 PolarHBondContact O-N 3.21Å; T138-N140 VanDerWaalsContact CG2-O 3.32Å; T138-N140 WeakPolarHBondContact CG2-O 3.36Å; N140-R551 WeakPolarHBondContact CB-O 3.4Å; N140-R551 PolarHBondContact ND2-O 2.8Å; N140-D552 VanDerWaalsContact ND2-C 3.29Å; N140-D552 PolarHBondContact ND2-O 3.01Å; N140-D552 VanDerWaalsContact ND2-O 3.12Å; N140-C604 HydrophobicContact CB-CB 3.99Å; N140-C604 WeakPolarHBondContact ND2-CB 3.47Å
141	E	89.1	Confident	76	Confident	81 Å²	81	60.2 Å²	60.2	38%	0.379	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	109.5	173.1	-176.6	156.6	-180	0	0	109.4	R64 G65 V66 T138	R64-E141 WeakPolarHBondContact CD-OE1 3.42Å; R64-E141 IonicContact CZ-OE1 3.49Å; R64-E141 IonicContact NE-OE1 2.7Å; R64-E141 IonicContact NH1-OE1 3.15Å; R64-E141 PolarHBondContact NH1-OE1 3.12Å; R64-E141 IonicContact NH1-OE2 3.4Å; G65-E141 CarbonylContact O-C 3.44Å; G65-E141 VanDerWaalsContact O-CA 3.31Å; G65-E141 WeakPolarHBondContact O-CA 3.46Å; V66-E141 HydrophobicContact CG2-CG 3.96Å; T138-E141 HydrophobicContact CG2-CB 3.85Å
142	E	90.1	Very high	78.3	Confident	31 Å²	31	51.9 Å²	51.9	15%	0.145	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.7	178	-63.7	179.5	159.6	0	0	108.5	R64 G65 Y144 C602 S603 C604	R64-E142 CarbonylContact C-O 3.51Å; R64-E142 WeakPolarHBondContact CA-O 3.34Å; R64-E142 VanDerWaalsContact CB-O 3.3Å; R64-E142 WeakPolarHBondContact CB-O 3.49Å; G65-E142 PolarHBondContact N-O 3.07Å; G65-E142 PolarHBondContact O-N 2.82Å; E142-Y144 HydrophobicContact CB-CE1 3.67Å; E142-Y144 PolarHBondContact OE2-OH 3.12Å; E142-C602 PolarHBondContact OE2-SG 2.67Å; E142-C602 VanDerWaalsContact OE2-SG 3.4Å; E142-S603 WeakPolarHBondContact OE1-CA 3.19Å; E142-S603 VanDerWaalsContact OE1-CB 3.23Å; E142-S603 WeakPolarHBondContact OE1-CB 3.44Å; E142-S603 PolarHBondContact OE1-N 2.69Å; E142-S603 PolarHBondContact OE1-OG 3.07Å; E142-S603 PolarHBondContact OE2-N 3.12Å; E142-C604 VanDerWaalsContact CD-N 3.33Å; E142-C604 VanDerWaalsContact CD-SG 3.53Å; E142-C604 HydrophobicContact CG-CB 4.06Å; E142-C604 PolarHBondContact OE1-N 3.05Å; E142-C604 PolarHBondContact OE2-N 2.8Å; E142-C604 VanDerWaalsContact OE2-N 3.07Å; E142-C604 PolarHBondContact OE2-SG 2.95Å
143	I	92.4	Very high	80.5	Confident	108 Å²	108	47.3 Å²	47.3	55%	0.554	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.6	174.9	-61.2	173.7	0	0	0	108.3	L62	L62-I143 HydrophobicContact CD1-CG2 3.93Å
144	Y	92.4	Very high	81.9	Confident	39 Å²	39	47.9 Å²	47.9	15%	0.153	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-31.7	-178.4	-51	-54.5	0	0	0	112.6	G63 R64 E142 P181 I191 G601 C602	G63-Y144 PolarHBondContact O-N 2.82Å; R64-Y144 VanDerWaalsContact C-CE2 3.48Å; E142-Y144 HydrophobicContact CB-CE1 3.67Å; E142-Y144 PolarHBondContact OE2-OH 3.12Å; Y144-P181 HydrophobicContact CD1-CG 4.02Å; Y144-P181 HydrophobicContact CD2-CG 3.61Å; Y144-P181 HydrophobicContact CE1-CG 3.92Å; Y144-P181 HydrophobicContact CE2-CG 3.48Å; Y144-P181 VanDerWaalsContact CE2-CG 3.48Å; Y144-P181 HydrophobicContact CG-CG 3.88Å; Y144-I191 HydrophobicContact CD2-CG2 4.31Å; Y144-I191 HydrophobicContact CE2-CG1 4.29Å; Y144-I191 HydrophobicContact CE2-CG2 3.86Å; Y144-G601 VanDerWaalsContact CE1-O 3.29Å; Y144-G601 WeakPolarHBondContact CE1-O 3.33Å; Y144-C602 PolarHBondContact OH-SG 3.25Å
145	C	91.5	Very high	83.3	Confident	9 Å²	9	50.9 Å²	50.9	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	143.4	168.3	62	0	0	0	0	110.4	G63 P177	G63-C145 PolarHBondContact N-O 2.97Å; G63-C145 PolarHBondContact N-SG 3.22Å; G63-C145 VanDerWaalsContact N-SG 3.43Å; G63-C145 PolarHBondContact O-N 2.8Å; C145-P177 HydrophobicContact CB-CG 3.96Å
146	S	94.3	Very high	84.4	Confident	84 Å²	84	54.6 Å²	54.6	59%	0.587	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.3	102.7	173.3	176.7	0	0	0	0	107.3	L61	L61-S146 WeakPolarHBondContact O-CA 3.49Å
147	M	94.1	Very high	85	Confident	63 Å²	63	60.2 Å²	60.2	31%	0.31	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.7	-179	-65.4	175.4	169.5	0	0	109.7	E60 L61 F174 E175 P177	E60-M147 CarbonylContact C-O 3.6Å; E60-M147 WeakPolarHBondContact CA-O 3.17Å; L61-M147 HydrophobicContact CB-CB 4.39Å; L61-M147 HydrophobicContact CD2-SD 4.5Å; L61-M147 PolarHBondContact N-O 3.44Å; L61-M147 PolarHBondContact O-N 3.18Å; M147-F174 HydrophobicContact CB-CD1 3.64Å; M147-F174 HydrophobicContact CB-CE1 3.75Å; M147-F174 HydrophobicContact SD-CB 4.41Å; M147-F174 HydrophobicContact SD-CD1 4.13Å; M147-E175 VanDerWaalsContact CE-O 3.28Å; M147-E175 WeakPolarHBondContact CE-O 3.38Å; M147-P177 HydrophobicContact CE-CG 4.42Å
148	N	93.8	Very high	85.2	Confident	109 Å²	109	59 Å²	59	58%	0.583	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.7	175.4	59.3	-12.6	0	0	0	112	Q58 V59	Q58-N148 HydrophobicContact CG-CB 4.44Å; Q58-N148 PolarHBondContact NE2-ND2 3.3Å; Q58-N148 VanDerWaalsContact NE2-ND2 3.18Å; V59-N148 CarbonylContact O-C 3.6Å; V59-N148 WeakPolarHBondContact O-CA 3.01Å
149	S	92.5	Very high	85.3	Confident	41 Å²	41	60 Å²	60	29%	0.287	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	121.8	178.2	180	0	0	0	0	109.5	Q58 V59	Q58-S149 CarbonylContact C-O 3.6Å; Q58-S149 WeakPolarHBondContact CA-O 3.26Å; Q58-S149 WeakPolarHBondContact CG-O 3.5Å; V59-S149 PolarHBondContact N-O 3.4Å; V59-S149 PolarHBondContact O-N 3.02Å
150	T	92.7	Very high	85.6	Confident	74 Å²	74	61.2 Å²	61.2	45%	0.454	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	112	176.9	45.9	0	0	0	0	109.5	Q58	Q58-T150 HydrophobicContact CB-CG2 4.29Å; Q58-T150 HydrophobicContact CG-CG2 3.98Å
151	L	90.1	Very high	85.6	Confident	39 Å²	39	64.4 Å²	64.4	20%	0.204	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-29.7	-177.4	-59.9	174.1	0	0	0	112.2	V44 L57 V59 Y170 P171 F172	V44-L151 HydrophobicContact CB-CD1 4.09Å; V44-L151 HydrophobicContact CG2-CD1 3.51Å; L57-L151 HydrophobicContact CB-CB 4.41Å; L57-L151 HydrophobicContact CD2-CB 4.05Å; L57-L151 HydrophobicContact CD2-CD1 4.12Å; L57-L151 HydrophobicContact CG-CB 4.18Å; L57-L151 HydrophobicContact CG-CD1 4.27Å; L57-L151 PolarHBondContact O-N 3.02Å; V59-L151 HydrophobicContact CG2-CD1 3.43Å; V59-L151 VanDerWaalsContact CG2-CD1 3.43Å; V59-L151 HydrophobicContact CG2-CG 4.05Å; L151-Y170 HydrophobicContact CB-CD1 4.49Å; L151-P171 WeakPolarHBondContact CD2-O 3.39Å; L151-F172 HydrophobicContact CD2-CB 4.27Å
152	I	87.8	Confident	85.6	Confident	6 Å²	6	65.8 Å²	65.8	3%	0.031	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.2	177.4	-49.8	176.8	0	0	0	107.6	I54 I56 L57 E161 I163 Y170	I54-I152 HydrophobicContact CG2-CG2 4.35Å; I56-I152 CarbonylContact C-O 3.59Å; I56-I152 WeakPolarHBondContact CA-O 3.17Å; L57-I152 HydrophobicContact CB-CB 3.74Å; L57-I152 HydrophobicContact CB-CD1 3.88Å; L57-I152 HydrophobicContact CB-CG1 3.78Å; L57-I152 HydrophobicContact CD2-CD1 3.72Å; L57-I152 HydrophobicContact CD2-CG1 4.02Å; L57-I152 HydrophobicContact CG-CD1 4.46Å; L57-I152 PolarHBondContact N-O 2.81Å; L57-I152 PolarHBondContact O-N 3.33Å; I152-E161 HydrophobicContact CG2-CB 3.92Å; I152-E161 WeakPolarHBondContact CG2-OE2 3.47Å; I152-I163 HydrophobicContact CD1-CD1 3.41Å; I152-I163 VanDerWaalsContact CD1-CD1 3.41Å; I152-Y170 HydrophobicContact CD1-CD1 4.22Å; I152-Y170 HydrophobicContact CD1-CE1 3.51Å; I152-Y170 HydrophobicContact CD1-CE2 4.01Å; I152-Y170 VanDerWaalsContact CD1-CZ 3.4Å; I152-Y170 WeakPolarHBondContact CD1-OH 3.49Å; I152-Y170 HydrophobicContact CG1-CD1 4.15Å; I152-Y170 HydrophobicContact CG1-CE1 3.72Å
153	G	82.1	Confident	85.4	Confident	33 Å²	33	64.4 Å²	64.4	34%	0.34	41%	0.413	S	S	.	.			trans	70.7	176.8	-177.9	0	0	0	0	0	114.1
154	G	71	Confident	85.3	Confident	55 Å²	55	64.5 Å²	64.5	57%	0.567	42%	0.415	S	S	*	.			trans	109.7	-22.1	178.2	0	0	0	0	0	115.5
155	G	70.9	Confident	85.1	Confident	78 Å²	78	65.3 Å²	65.3	80%	0.804	43%	0.429	S	S	*	.	S	Bend	trans	-72.5	-32.3	178.4	0	0	0	0	0	114.8
156	I	75.2	Confident	85.1	Confident	113 Å²	113	66.5 Å²	66.5	58%	0.579	44%	0.443	S	S	*	.	S	Bend	trans	-140.2	131.7	-179.4	-56.3	175.9	0	0	0	108.7	G158 T159	I156-G158 PolarHBondContact O-N 3.25Å; I156-T159 HydrophobicContact CB-CG2 3.76Å; I156-T159 HydrophobicContact CD1-CG2 4.25Å; I156-T159 HydrophobicContact CG2-CG2 3.94Å; I156-T159 PolarHBondContact O-OG1 3.04Å; I156-T159 VanDerWaalsContact O-OG1 3.04Å
157	P	72.5	Confident	85	Confident	131 Å²	131	68.2 Å²	68.2	85%	0.851	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	125.8	173.9	27.9	-33.3	0	0	0	110.8
158	G	74.8	Confident	85	Confident	57 Å²	57	68.9 Å²	68.9	59%	0.588	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.6	-13.5	176.4	0	0	0	0	0	115.7	I156	I156-G158 PolarHBondContact O-N 3.25Å
159	T	80.7	Confident	85	Confident	65 Å²	65	70 Å²	70	40%	0.399	44%	0.436	S	S	.	.			trans	-68.9	139	170.7	53.3	0	0	0	0	111.1	I156	I156-T159 HydrophobicContact CB-CG2 3.76Å; I156-T159 HydrophobicContact CD1-CG2 4.25Å; I156-T159 HydrophobicContact CG2-CG2 3.94Å; I156-T159 PolarHBondContact O-OG1 3.04Å; I156-T159 VanDerWaalsContact O-OG1 3.04Å
160	C	84.2	Confident	85	Confident	52 Å²	52	69.6 Å²	69.6	35%	0.351	43%	0.428	S	S	.	.			trans	-131.1	132.2	176.3	-56.5	0	0	0	0	110.1	S53 I54 S202	S53-C160 WeakPolarHBondContact OG-CB 3.38Å; I54-C160 CarbonylContact O-C 3.47Å; I54-C160 VanDerWaalsContact O-CA 3.28Å; I54-C160 WeakPolarHBondContact O-CA 3.39Å; C160-S202 WeakPolarHBondContact SG-CB 3.49Å
161	E	86.2	Confident	85.1	Confident	84 Å²	84	69.7 Å²	69.7	39%	0.393	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.3	174.7	-172.7	-174.6	130	0	0	110.2	S53 I54 I152 I163 R168	S53-E161 WeakPolarHBondContact CA-O 3.28Å; I54-E161 PolarHBondContact N-O 3.02Å; I54-E161 PolarHBondContact O-N 3.09Å; I152-E161 HydrophobicContact CG2-CB 3.92Å; I152-E161 WeakPolarHBondContact CG2-OE2 3.47Å; E161-I163 HydrophobicContact CG-CG1 4.26Å; E161-R168 IonicContact OE1-NH1 3.65Å; E161-R168 PolarHBondContact OE1-NH1 3.21Å
162	L	87.3	Confident	85.3	Confident	111 Å²	111	68 Å²	68	58%	0.581	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	108.4	170.6	-174.7	65.1	0	0	0	110.7	A51	A51-L162 HydrophobicContact CB-CD1 4.12Å
163	I	87.7	Confident	85.5	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.005	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	107.7	-179.7	-56.8	-152.7	0	0	0	108.5	L46 A51 L52 I54 I152 E161	L46-I163 HydrophobicContact CD2-CD1 4.35Å; A51-I163 CarbonylContact C-O 3.49Å; A51-I163 VanDerWaalsContact CA-O 3.25Å; A51-I163 WeakPolarHBondContact CA-O 3.28Å; L52-I163 PolarHBondContact N-O 3.31Å; L52-I163 PolarHBondContact O-N 2.88Å; I54-I163 HydrophobicContact CB-CD1 4.24Å; I54-I163 HydrophobicContact CB-CG1 4.4Å; I54-I163 HydrophobicContact CD1-CB 4.09Å; I54-I163 HydrophobicContact CD1-CD1 3.47Å; I54-I163 VanDerWaalsContact CD1-CD1 3.47Å; I54-I163 HydrophobicContact CD1-CG1 3.83Å; I54-I163 HydrophobicContact CG1-CD1 4.37Å; I54-I163 HydrophobicContact CG1-CG1 4.5Å; I152-I163 HydrophobicContact CD1-CD1 3.41Å; I152-I163 VanDerWaalsContact CD1-CD1 3.41Å; E161-I163 HydrophobicContact CG-CG1 4.26Å
164	L	89.3	Confident	86.1	Confident	111 Å²	111	72.2 Å²	72.2	58%	0.581	43%	0.432	S	S	*	.			trans	-63.1	150.1	175.9	-59.9	-179.9	0	0	0	111.7	A51	A51-L164 HydrophobicContact CB-CD2 4.35Å
165	A	89.1	Confident	87	Confident	56 Å²	56	75.3 Å²	75.3	46%	0.463	43%	0.431	S	S	.	.	S	Bend	trans	-52.7	139.7	177.3	0	0	0	0	0	112.1	T48	T48-A165 WeakPolarHBondContact OG1-CA 3.49Å
166	G	90.8	Very high	88	Confident	33 Å²	33	71.6 Å²	71.6	34%	0.34	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	141.9	-163.8	-178.1	0	0	0	0	0	113.2	E47 T48	E47-G166 WeakPolarHBondContact CA-O 3.13Å; T48-G166 PolarHBondContact N-O 2.88Å; T48-G166 PolarHBondContact O-N 2.86Å; T48-G166 PolarHBondContact OG1-N 3.16Å; T48-G166 PolarHBondContact OG1-O 2.87Å
167	K	92.2	Very high	88.8	Confident	121 Å²	121	68.1 Å²	68.1	53%	0.526	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.1	179.8	-62.6	178.5	-175.4	-107.1	0	109.5	Y45 E47	Y45-K167 HydrophobicContact CE2-CB 4.14Å; Y45-K167 HydrophobicContact CE2-CD 4.46Å; Y45-K167 HydrophobicContact CE2-CG 4.32Å; Y45-K167 WeakPolarHBondContact OH-CD 3.09Å; Y45-K167 PolarHBondContact OH-NZ 2.91Å; E47-K167 HydrophobicContact CB-CG 4.18Å; E47-K167 HydrophobicContact CG-CG 4.04Å; E47-K167 WeakPolarHBondContact OE1-CE 3.24Å; E47-K167 IonicContact OE1-NZ 3.04Å; E47-K167 PolarHBondContact OE1-NZ 3.06Å; E47-K167 IonicContact OE2-NZ 2.76Å; E47-K167 PolarHBondContact OE2-NZ 3.08Å
168	R	93.2	Very high	89.5	Confident	76 Å²	76	65.2 Å²	65.2	29%	0.287	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.7	175	-64.7	-169.3	179.7	-172.2	-1.8	110.6	L46 E161 Y170	L46-R168 PolarHBondContact N-O 3.21Å; L46-R168 PolarHBondContact O-N 3.15Å; E161-R168 IonicContact OE1-NH1 3.65Å; E161-R168 PolarHBondContact OE1-NH1 3.21Å; R168-Y170 HydrophobicContact CB-CD2 4.33Å; R168-Y170 HydrophobicContact CB-CE2 3.59Å; R168-Y170 WeakPolarHBondContact CD-OH 3.47Å; R168-Y170 PolarHBondContact NH1-OH 3.15Å
169	Y	93.9	Very high	90	Very high	133 Å²	133	65.8 Å²	65.8	52%	0.522	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.7	176.8	-59.8	-92.6	0	0	0	108.1	I25 V44 Y45	I25-Y169 HydrophobicContact CD1-CD1 4.31Å; I25-Y169 HydrophobicContact CD1-CE1 3.88Å; V44-Y169 WeakPolarHBondContact O-CA 3.48Å; Y45-Y169 AromaticContact CD2-CD1 3.76Å; Y45-Y169 HydrophobicContact CD2-CD1 3.76Å; Y45-Y169 AromaticContact CD2-CE1 3.3Å; Y45-Y169 HydrophobicContact CD2-CE1 3.3Å; Y45-Y169 HydrophobicContact CD2-CE2 4.39Å; Y45-Y169 HydrophobicContact CD2-CG 4.47Å; Y45-Y169 AromaticContact CD2-CZ 3.67Å; Y45-Y169 AromaticContact CE2-CE1 3.81Å; Y45-Y169 HydrophobicContact CE2-CE1 3.81Å; Y45-Y169 HydrophobicContact CE2-CE2 4.34Å; Y45-Y169 AromaticContact CE2-CZ 3.67Å; Y45-Y169 HydrophobicContact CG-CE1 4.22Å
170	Y	94.1	Very high	90.4	Very high	33 Å²	33	62.7 Å²	62.7	13%	0.129	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.5	179.5	-67.2	-91.9	0	0	0	109.2	Y43 V44 L46 L57 L151 I152 R168	Y43-Y170 CarbonylContact C-O 3.58Å; Y43-Y170 WeakPolarHBondContact CA-O 3.28Å; V44-Y170 PolarHBondContact N-O 3.29Å; V44-Y170 PolarHBondContact O-N 3.29Å; L46-Y170 HydrophobicContact CD2-CE2 4.37Å; L57-Y170 HydrophobicContact CD2-CD2 3.84Å; L57-Y170 HydrophobicContact CD2-CE2 4.27Å; L57-Y170 HydrophobicContact CD2-CG 3.99Å; L151-Y170 HydrophobicContact CB-CD1 4.49Å; I152-Y170 HydrophobicContact CD1-CD1 4.22Å; I152-Y170 HydrophobicContact CD1-CE1 3.51Å; I152-Y170 HydrophobicContact CD1-CE2 4.01Å; I152-Y170 VanDerWaalsContact CD1-CZ 3.4Å; I152-Y170 WeakPolarHBondContact CD1-OH 3.49Å; I152-Y170 HydrophobicContact CG1-CD1 4.15Å; I152-Y170 HydrophobicContact CG1-CE1 3.72Å; R168-Y170 HydrophobicContact CB-CD2 4.33Å; R168-Y170 HydrophobicContact CB-CE2 3.59Å; R168-Y170 WeakPolarHBondContact CD-OH 3.47Å; R168-Y170 PolarHBondContact NH1-OH 3.15Å
171	P	94.4	Very high	90.7	Very high	75 Å²	75	60.2 Å²	60.2	49%	0.487	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	144	-178.4	27.9	-34	0	0	0	111	G42 Y43 L151	G42-P171 CarbonylContact O-C 3.56Å; G42-P171 WeakPolarHBondContact O-CA 3.3Å; Y43-P171 HydrophobicContact CD1-CB 3.94Å; Y43-P171 HydrophobicContact CE1-CB 3.84Å; L151-P171 WeakPolarHBondContact CD2-O 3.39Å
172	F	93.4	Very high	90.8	Very high	5 Å²	5	56.4 Å²	56.4	2%	0.022	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	150.7	170.6	68.7	-92.2	0	0	0	110.6	I24 L26 I40 G42 V44 V59 L151 F174 L195	I24-F172 HydrophobicContact CG2-CE1 3.93Å; I24-F172 HydrophobicContact CG2-CZ 3.69Å; L26-F172 HydrophobicContact CD2-CE2 4.16Å; L26-F172 HydrophobicContact CD2-CZ 3.75Å; I40-F172 HydrophobicContact CG2-CE2 4.44Å; G42-F172 VanDerWaalsContact C-CE1 3.47Å; G42-F172 PolarHBondContact N-O 3.34Å; G42-F172 PolarHBondContact O-N 3.4Å; V44-F172 HydrophobicContact CG2-CD1 3.86Å; V44-F172 HydrophobicContact CG2-CE1 4.15Å; V59-F172 HydrophobicContact CG1-CD2 4.4Å; V59-F172 HydrophobicContact CG1-CG 4.47Å; V59-F172 HydrophobicContact CG2-CB 4.08Å; V59-F172 HydrophobicContact CG2-CD1 4.26Å; V59-F172 HydrophobicContact CG2-CG 4.15Å; L151-F172 HydrophobicContact CD2-CB 4.27Å; F172-F174 AromaticContact CD2-CD2 3.78Å; F172-F174 HydrophobicContact CD2-CD2 3.78Å; F172-F174 AromaticContact CD2-CE2 3.78Å; F172-F174 HydrophobicContact CD2-CE2 3.78Å; F172-F174 HydrophobicContact CE2-CD2 4.25Å; F172-F174 HydrophobicContact CE2-CE2 4.39Å; F172-L195 HydrophobicContact CE2-CD1 3.9Å; F172-L195 HydrophobicContact CE2-CD2 4.06Å; F172-L195 HydrophobicContact CZ-CD1 4.01Å
173	E	92.7	Very high	90.9	Very high	116 Å²	116	52.3 Å²	52.3	54%	0.542	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	133.9	-174.9	-171.3	179.2	152.1	0	0	109.1	L39 I40	L39-E173 HydrophobicContact CD1-CG 3.76Å; L39-E173 HydrophobicContact CD2-CG 4.15Å; L39-E173 WeakPolarHBondContact CD2-OE1 3.39Å; L39-E173 HydrophobicContact CG-CG 4.01Å; I40-E173 CarbonylContact O-C 3.57Å; I40-E173 WeakPolarHBondContact O-CA 3.07Å
174	F	93.6	Very high	90.9	Very high	11 Å²	11	52.8 Å²	52.8	5%	0.048	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	133.6	175	-67.5	-66.5	0	0	0	111.1	I40 V59 L61 M147 F172 L195	I40-F174 PolarHBondContact N-O 3.02Å; I40-F174 PolarHBondContact O-N 2.89Å; V59-F174 HydrophobicContact CB-CE2 3.97Å; V59-F174 HydrophobicContact CB-CZ 4.04Å; V59-F174 HydrophobicContact CG1-CE2 3.79Å; V59-F174 HydrophobicContact CG1-CZ 4.31Å; L61-F174 HydrophobicContact CB-CD1 4.38Å; L61-F174 HydrophobicContact CB-CD2 4Å; L61-F174 HydrophobicContact CB-CE2 4.18Å; L61-F174 HydrophobicContact CB-CG 4.11Å; L61-F174 HydrophobicContact CB-CZ 4.45Å; L61-F174 HydrophobicContact CD2-CB 3.66Å; L61-F174 HydrophobicContact CD2-CD2 4.44Å; L61-F174 HydrophobicContact CD2-CG 4.05Å; M147-F174 HydrophobicContact CB-CD1 3.64Å; M147-F174 HydrophobicContact CB-CE1 3.75Å; M147-F174 HydrophobicContact SD-CB 4.41Å; M147-F174 HydrophobicContact SD-CD1 4.13Å; F172-F174 AromaticContact CD2-CD2 3.78Å; F172-F174 HydrophobicContact CD2-CD2 3.78Å; F172-F174 AromaticContact CD2-CE2 3.78Å; F172-F174 HydrophobicContact CD2-CE2 3.78Å; F172-F174 HydrophobicContact CE2-CD2 4.25Å; F172-F174 HydrophobicContact CE2-CE2 4.39Å; F174-L195 HydrophobicContact CD2-CD2 3.8Å; F174-L195 HydrophobicContact CE2-CD2 3.86Å
175	E	91.7	Very high	90.6	Very high	120 Å²	120	50.3 Å²	50.3	56%	0.561	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	125.1	170.9	-167.3	-172.1	158	0	0	110.5	L39 M147 P177	L39-E175 HydrophobicContact CD1-CB 4.3Å; M147-E175 VanDerWaalsContact CE-O 3.28Å; M147-E175 WeakPolarHBondContact CE-O 3.38Å; E175-P177 WeakPolarHBondContact O-CD 3.46Å
176	L	91.6	Very high	90	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-75.2	120.6	168	-77.2	171	0	0	0	109.7	C34 F35 G37 Q38 I40 L61 A178 Y193 V215	C34-L176 HydrophobicContact CB-CD1 3.73Å; F35-L176 WeakPolarHBondContact O-CD1 3.49Å; G37-L176 WeakPolarHBondContact CA-O 3.47Å; G37-L176 PolarHBondContact N-O 2.97Å; Q38-L176 WeakPolarHBondContact O-CB 2.93Å; Q38-L176 PolarHBondContact O-N 2.83Å; I40-L176 HydrophobicContact CD1-CD1 3.87Å; I40-L176 HydrophobicContact CD1-CD2 3.95Å; I40-L176 HydrophobicContact CD1-CG 3.61Å; I40-L176 HydrophobicContact CG1-CD1 4.15Å; I40-L176 HydrophobicContact CG1-CG 4.08Å; L61-L176 HydrophobicContact CD2-CD2 4.16Å; L176-A178 PolarHBondContact O-N 3.47Å; L176-Y193 HydrophobicContact CD2-CD1 4.39Å; L176-V215 HydrophobicContact CD1-CG1 4.37Å; L176-V215 HydrophobicContact CD1-CG2 3.91Å; L176-V215 HydrophobicContact CD2-CG2 4.32Å
177	P	90.7	Very high	89.3	Confident	40 Å²	40	47.2 Å²	47.2	26%	0.26	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-54.9	133.7	176	-26.8	34.3	0	0	0	112.2	C145 M147 E175 A179 C180	C145-P177 HydrophobicContact CB-CG 3.96Å; M147-P177 HydrophobicContact CE-CG 4.42Å; E175-P177 WeakPolarHBondContact O-CD 3.46Å; P177-A179 PolarHBondContact O-N 3.49Å; P177-C180 VanDerWaalsContact O-CB 3.26Å; P177-C180 WeakPolarHBondContact O-CB 3.38Å; P177-C180 PolarHBondContact O-N 3.1Å; P177-C180 PolarHBondContact O-SG 2.79Å
178	A	87	Confident	88.6	Confident	69 Å²	69	45.1 Å²	45.1	57%	0.57	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.1	177.7	0	0	0	0	0	113.2	L176 C180	L176-A178 PolarHBondContact O-N 3.47Å; A178-C180 VanDerWaalsContact C-N 3.27Å; A178-C180 PolarHBondContact O-N 3.31Å
179	A	86.1	Confident	88	Confident	69 Å²	69	41.5 Å²	41.5	57%	0.57	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.4	176.2	0	0	0	0	0	115.2	P177 R217	P177-A179 PolarHBondContact O-N 3.49Å; A179-R217 VanDerWaalsContact C-NH1 3.25Å; A179-R217 PolarHBondContact O-NH1 2.93Å
180	C	89.3	Confident	87.7	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.007	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-62.8	130.5	-177.1	-75.3	0	0	0	0	113	S36 P177 A178 Y193	S36-C180 PolarHBondContact OG-O 3.31Å; P177-C180 VanDerWaalsContact O-CB 3.26Å; P177-C180 WeakPolarHBondContact O-CB 3.38Å; P177-C180 PolarHBondContact O-N 3.1Å; P177-C180 PolarHBondContact O-SG 2.79Å; A178-C180 VanDerWaalsContact C-N 3.27Å; A178-C180 PolarHBondContact O-N 3.31Å; C180-Y193 HydrophobicContact CB-CE1 4.21Å; C180-Y193 WeakPolarHBondContact CB-OH 3.25Å
181	P	90.3	Very high	87.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-74.7	158.7	173.9	29.2	-34.7	0	0	0	113.3	Y144 I191 Y193 E600 C602	Y144-P181 HydrophobicContact CD1-CG 4.02Å; Y144-P181 HydrophobicContact CD2-CG 3.61Å; Y144-P181 HydrophobicContact CE1-CG 3.92Å; Y144-P181 HydrophobicContact CE2-CG 3.48Å; Y144-P181 VanDerWaalsContact CE2-CG 3.48Å; Y144-P181 HydrophobicContact CG-CG 3.88Å; P181-I191 HydrophobicContact CB-CD1 4.06Å; P181-I191 HydrophobicContact CG-CD1 4.12Å; P181-I191 HydrophobicContact CG-CG2 4.16Å; P181-Y193 VanDerWaalsContact CD-OH 3.31Å; P181-Y193 WeakPolarHBondContact CD-OH 3.41Å; P181-Y193 WeakPolarHBondContact O-CE2 3.34Å; P181-Y193 PolarHBondContact O-OH 2.96Å; P181-E600 WeakPolarHBondContact CA-O 3.26Å; P181-E600 WeakPolarHBondContact CB-O 3.42Å; P181-C602 HydrophobicContact CB-CB 4.15Å; P181-C602 HydrophobicContact CG-CB 4.23Å
182	C	88.8	Confident	87.3	Confident	3 Å²	3	30.5 Å²	30.5	2%	0.02	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-57.7	142.2	175.7	-65.4	0	0	0	0	112.9	F184 I191 V215 R217 P596 L599	C182-F184 PolarHBondContact O-N 2.89Å; C182-I191 WeakPolarHBondContact O-CG2 3.47Å; C182-V215 WeakPolarHBondContact CA-O 3.33Å; C182-R217 PolarHBondContact SG-N 3.47Å; C182-P596 HydrophobicContact CB-CG 4.5Å; C182-L599 HydrophobicContact CB-CD2 4.3Å
183	S	89.1	Confident	87.2	Confident	26 Å²	26	30.3 Å²	30.3	18%	0.182	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-59.6	131.1	168.3	-53.7	0	0	0	0	111.2	I191 Y193 V215	S183-I191 WeakPolarHBondContact CA-O 3.36Å; S183-Y193 WeakPolarHBondContact OG-CD2 3.31Å; S183-V215 PolarHBondContact N-O 2.92Å; S183-V215 PolarHBondContact OG-N 3.32Å; S183-V215 PolarHBondContact OG-O 3.32Å
184	F	88.6	Confident	87.1	Confident	11 Å²	11	26.2 Å²	26.2	5%	0.048	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146.3	-170.8	178	-99.5	0	0	0	111.4	C182 S190 I191 I548 P595 L599 I605 V607	C182-F184 PolarHBondContact O-N 2.89Å; F184-S190 CarbonylContact O-C 3.36Å; F184-S190 WeakPolarHBondContact O-CA 3.21Å; F184-S190 WeakPolarHBondContact O-CB 3.26Å; F184-I191 HydrophobicContact CB-CB 4.12Å; F184-I191 HydrophobicContact CB-CD1 4.27Å; F184-I191 HydrophobicContact CB-CG1 4.27Å; F184-I191 PolarHBondContact N-O 2.68Å; F184-I191 VanDerWaalsContact N-O 3.1Å; F184-I191 PolarHBondContact O-N 3.34Å; F184-I548 HydrophobicContact CE1-CG2 3.96Å; F184-I548 HydrophobicContact CZ-CD1 3.86Å; F184-I548 HydrophobicContact CZ-CG1 4Å; F184-I548 HydrophobicContact CZ-CG2 3.83Å; F184-P595 HydrophobicContact CD2-CB 4.07Å; F184-P595 HydrophobicContact CD2-CG 3.88Å; F184-P595 HydrophobicContact CE2-CG 3.9Å; F184-L599 HydrophobicContact CB-CD1 4.05Å; F184-L599 HydrophobicContact CD1-CD1 4.17Å; F184-L599 HydrophobicContact CD2-CD1 4.1Å; F184-L599 HydrophobicContact CG-CD1 3.82Å; F184-I605 HydrophobicContact CD1-CD1 4.34Å; F184-I605 HydrophobicContact CD1-CG2 3.83Å; F184-I605 HydrophobicContact CE1-CG2 3.65Å; F184-V607 HydrophobicContact CD2-CG2 4.26Å; F184-V607 HydrophobicContact CE1-CG2 4.44Å; F184-V607 HydrophobicContact CE2-CG2 3.68Å; F184-V607 HydrophobicContact CZ-CG2 3.78Å
185	V	82.9	Confident	87	Confident	58 Å²	58	25.7 Å²	25.7	35%	0.352	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	104.2	176.7	-174.1	0	0	0	0	112.5
186	G	76.5	Confident	87	Confident	4 Å²	4	22.8 Å²	22.8	4%	0.041	14%	0.137	C	C	.	.			trans	-91	-170.9	171.8	0	0	0	0	0	113.6	G189 Y550	G186-G189 WeakPolarHBondContact CA-O 3.13Å; G186-G189 PolarHBondContact N-O 3.29Å; G186-Y550 WeakPolarHBondContact CA-OH 3.42Å
187	S	75.9	Confident	87.1	Confident	21 Å²	21	22.8 Å²	22.8	15%	0.147	14%	0.137	C	C	.	.	S	Bend	trans	-82.6	-31.3	169	65.4	0	0	0	0	113.2	Y550 E561	S187-Y550 PolarHBondContact N-OH 3.13Å; S187-E561 WeakPolarHBondContact CB-OE1 3.4Å; S187-E561 WeakPolarHBondContact CB-OE2 3.43Å; S187-E561 PolarHBondContact N-OE2 2.57Å; S187-E561 VanDerWaalsContact N-OE2 3.11Å; S187-E561 PolarHBondContact OG-OE1 3.47Å; S187-E561 PolarHBondContact OG-OE2 3.47Å
188	R	76.3	Confident	87.2	Confident	76 Å²	76	23.6 Å²	23.6	29%	0.287	14%	0.135	S	C	.	.	S	Bend	trans	-115.9	5	-175.9	-72.8	-172.9	-179.9	91.7	-8.9	114.4	V67 V68 Y550 A559	V67-R188 CarbonylContact C-O 3.53Å; V67-R188 WeakPolarHBondContact CA-O 3.49Å; V68-R188 WeakPolarHBondContact CG2-O 3.35Å; V68-R188 PolarHBondContact N-O 3.47Å; R188-Y550 HydrophobicContact CB-CD1 3.96Å; R188-Y550 HydrophobicContact CB-CD2 4.16Å; R188-Y550 HydrophobicContact CB-CE1 3.9Å; R188-Y550 HydrophobicContact CB-CE2 4.1Å; R188-Y550 HydrophobicContact CB-CG 4.08Å; R188-Y550 PolarHBondContact N-OH 3.48Å; R188-A559 VanDerWaalsContact CD-CB 3.44Å
189	G	81.6	Confident	87.4	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	164.1	175.6	0	0	0	0	0	112.9	V66 G186	V66-G189 CarbonylContact O-C 3.58Å; V66-G189 WeakPolarHBondContact O-CA 3.41Å; G186-G189 WeakPolarHBondContact CA-O 3.13Å; G186-G189 PolarHBondContact N-O 3.29Å
190	S	87	Confident	87.6	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	150.1	175.6	20.9	0	0	0	0	111.7	G65 V66 R88 I104 F184 E192	G65-S190 WeakPolarHBondContact CA-O 3.23Å; V66-S190 PolarHBondContact N-O 2.9Å; V66-S190 PolarHBondContact O-N 2.74Å; R88-S190 PolarHBondContact NH2-OG 2.92Å; I104-S190 VanDerWaalsContact CD1-OG 3.24Å; I104-S190 WeakPolarHBondContact CD1-OG 3.4Å; F184-S190 CarbonylContact O-C 3.36Å; F184-S190 WeakPolarHBondContact O-CA 3.21Å; F184-S190 WeakPolarHBondContact O-CB 3.26Å; S190-E192 VanDerWaalsContact CB-OE1 3.31Å; S190-E192 WeakPolarHBondContact CB-OE1 3.44Å; S190-E192 PolarHBondContact OG-OE1 3.23Å
191	I	90.4	Very high	87.7	Confident	3 Å²	3	19.1 Å²	19.1	2%	0.015	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.3	167.1	-62.2	175.6	0	0	0	106.7	R64 Y144 P181 C182 S183 F184 Y193 L599 C602 I605	R64-I191 WeakPolarHBondContact O-CA 3.34Å; Y144-I191 HydrophobicContact CD2-CG2 4.31Å; Y144-I191 HydrophobicContact CE2-CG1 4.29Å; Y144-I191 HydrophobicContact CE2-CG2 3.86Å; P181-I191 HydrophobicContact CB-CD1 4.06Å; P181-I191 HydrophobicContact CG-CD1 4.12Å; P181-I191 HydrophobicContact CG-CG2 4.16Å; C182-I191 WeakPolarHBondContact O-CG2 3.47Å; S183-I191 WeakPolarHBondContact CA-O 3.36Å; F184-I191 HydrophobicContact CB-CB 4.12Å; F184-I191 HydrophobicContact CB-CD1 4.27Å; F184-I191 HydrophobicContact CB-CG1 4.27Å; F184-I191 PolarHBondContact N-O 2.68Å; F184-I191 VanDerWaalsContact N-O 3.1Å; F184-I191 PolarHBondContact O-N 3.34Å; I191-Y193 HydrophobicContact CG2-CE2 3.74Å; I191-L599 HydrophobicContact CD1-CD1 3.99Å; I191-C602 HydrophobicContact CD1-CB 3.75Å; I191-I605 HydrophobicContact CG1-CD1 4.43Å
192	E	89.4	Confident	87.5	Confident	8 Å²	8	22 Å²	22	4%	0.037	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.5	-160.3	-60.6	168.2	-174.7	0	0	109.2	G63 R64 G100 G102 S190	G63-E192 CarbonylContact C-O 3.49Å; G63-E192 WeakPolarHBondContact CA-O 3.48Å; R64-E192 IonicContact CZ-OE2 3.43Å; R64-E192 PolarHBondContact N-O 2.68Å; R64-E192 IonicContact NE-OE2 3.18Å; R64-E192 IonicContact NH2-OE2 2.83Å; R64-E192 PolarHBondContact NH2-OE2 2.75Å; R64-E192 PolarHBondContact O-N 3.29Å; G100-E192 WeakPolarHBondContact O-CA 3.2Å; G102-E192 WeakPolarHBondContact CA-OE1 3.45Å; S190-E192 VanDerWaalsContact CB-OE1 3.31Å; S190-E192 WeakPolarHBondContact CB-OE1 3.44Å; S190-E192 PolarHBondContact OG-OE1 3.23Å
193	Y	91.8	Very high	87.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.9	172	-63.4	-93.3	0	0	0	108.1	L62 G100 L176 C180 P181 S183 I191 L213 V215	L62-Y193 WeakPolarHBondContact O-CA 3.35Å; G100-Y193 PolarHBondContact O-N 3.11Å; L176-Y193 HydrophobicContact CD2-CD1 4.39Å; C180-Y193 HydrophobicContact CB-CE1 4.21Å; C180-Y193 WeakPolarHBondContact CB-OH 3.25Å; P181-Y193 VanDerWaalsContact CD-OH 3.31Å; P181-Y193 WeakPolarHBondContact CD-OH 3.41Å; P181-Y193 WeakPolarHBondContact O-CE2 3.34Å; P181-Y193 PolarHBondContact O-OH 2.96Å; S183-Y193 WeakPolarHBondContact OG-CD2 3.31Å; I191-Y193 HydrophobicContact CG2-CE2 3.74Å; Y193-L213 PolarHBondContact O-N 3.39Å; Y193-V215 HydrophobicContact CD1-CG2 3.94Å; Y193-V215 HydrophobicContact CD2-CB 3.81Å; Y193-V215 HydrophobicContact CD2-CG2 3.5Å; Y193-V215 VanDerWaalsContact CD2-CG2 3.5Å; Y193-V215 HydrophobicContact CE1-CG2 4.27Å; Y193-V215 HydrophobicContact CE2-CB 3.72Å; Y193-V215 HydrophobicContact CE2-CG1 4.37Å; Y193-V215 HydrophobicContact CE2-CG2 3.83Å; Y193-V215 HydrophobicContact CG-CB 4.36Å; Y193-V215 HydrophobicContact CG-CG2 3.55Å
194	R	90.4	Very high	87	Confident	30 Å²	30	27.5 Å²	27.5	11%	0.113	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.4	178.2	64.2	175.2	-177.3	77.5	5.9	110.7	E60 L62 V101 R196 D210 K211	E60-R194 VanDerWaalsContact CD-NH1 3.31Å; E60-R194 VanDerWaalsContact CD-NH2 3.28Å; E60-R194 IonicContact OE1-CZ 3.14Å; E60-R194 IonicContact OE1-NH1 3.44Å; E60-R194 IonicContact OE1-NH2 2.78Å; E60-R194 PolarHBondContact OE1-NH2 3.01Å; E60-R194 IonicContact OE2-CZ 3.56Å; E60-R194 IonicContact OE2-NH1 3.7Å; E60-R194 PolarHBondContact OE2-NH1 3.05Å; E60-R194 IonicContact OE2-NH2 3.59Å; E60-R194 PolarHBondContact OE2-NH2 3.19Å; E60-R194 VanDerWaalsContact OE2-NH2 3.15Å; L62-R194 HydrophobicContact CB-CG 4.18Å; L62-R194 PolarHBondContact N-O 2.83Å; L62-R194 PolarHBondContact O-N 2.81Å; V101-R194 HydrophobicContact CG2-CB 4.12Å; R194-R196 VanDerWaalsContact NH1-CB 3.26Å; R194-D210 IonicContact NH1-OD1 3.76Å; R194-K211 WeakPolarHBondContact CA-O 3.34Å
195	L	91.6	Very high	86.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.4	155.5	-71.2	163.5	0	0	0	107.6	I24 L26 I40 V59 E60 L61 F172 F174 D210 K211 L213	I24-L195 HydrophobicContact CD1-CB 4.03Å; I24-L195 HydrophobicContact CG2-CD1 4.3Å; L26-L195 HydrophobicContact CD1-CD1 4.2Å; L26-L195 HydrophobicContact CD2-CD1 3.74Å; L26-L195 HydrophobicContact CG-CD1 4.41Å; I40-L195 HydrophobicContact CG2-CD1 4.36Å; V59-L195 HydrophobicContact CG1-CD2 4.24Å; E60-L195 CarbonylContact O-C 3.55Å; E60-L195 WeakPolarHBondContact O-CA 3.35Å; L61-L195 HydrophobicContact CB-CD2 3.86Å; L61-L195 HydrophobicContact CD1-CD2 3.94Å; L61-L195 HydrophobicContact CD1-CG 4.26Å; L61-L195 HydrophobicContact CG-CD2 4.42Å; F172-L195 HydrophobicContact CE2-CD1 3.9Å; F172-L195 HydrophobicContact CE2-CD2 4.06Å; F172-L195 HydrophobicContact CZ-CD1 4.01Å; F174-L195 HydrophobicContact CD2-CD2 3.8Å; F174-L195 HydrophobicContact CE2-CD2 3.86Å; L195-D210 CarbonylContact O-C 3.58Å; L195-D210 WeakPolarHBondContact O-CA 3.38Å; L195-K211 PolarHBondContact N-O 3.01Å; L195-K211 PolarHBondContact O-N 2.88Å; L195-L213 HydrophobicContact CD1-CD1 4.1Å; L195-L213 HydrophobicContact CD1-CD2 4.08Å; L195-L213 HydrophobicContact CD1-CG 4.33Å; L195-L213 HydrophobicContact CG-CD1 4.02Å; L195-L213 HydrophobicContact CG-CG 4.42Å
196	R	92.2	Very high	87	Confident	59 Å²	59	31.1 Å²	31.1	22%	0.223	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.7	171.4	178.5	175.1	-74.1	165.8	-2.7	110	V59 E60 R194 Y198 A209 D210	V59-R196 CarbonylContact C-O 3.59Å; V59-R196 WeakPolarHBondContact CA-O 3.37Å; E60-R196 HydrophobicContact CB-CB 4.48Å; E60-R196 PolarHBondContact N-O 2.97Å; E60-R196 PolarHBondContact O-N 3.38Å; R194-R196 VanDerWaalsContact NH1-CB 3.26Å; R196-Y198 HydrophobicContact CB-CE2 4.29Å; R196-Y198 WeakPolarHBondContact CD-OH 3.36Å; R196-Y198 HydrophobicContact CG-CD2 4.16Å; R196-Y198 HydrophobicContact CG-CE1 4.45Å; R196-Y198 HydrophobicContact CG-CE2 3.79Å; R196-Y198 PolarHBondContact NH1-OH 2.88Å; R196-A209 CarbonylContact C-O 3.55Å; R196-A209 VanDerWaalsContact CA-O 3.26Å; R196-A209 WeakPolarHBondContact CA-O 3.25Å; R196-D210 WeakPolarHBondContact CB-OD1 3.38Å; R196-D210 IonicContact CZ-OD1 3.69Å; R196-D210 IonicContact CZ-OD2 3.83Å; R196-D210 VanDerWaalsContact NE-CG 3.32Å; R196-D210 IonicContact NE-OD1 3.47Å; R196-D210 PolarHBondContact NE-OD1 3.36Å; R196-D210 IonicContact NE-OD2 3.99Å; R196-D210 PolarHBondContact NE-OD2 2.91Å; R196-D210 IonicContact NH2-OD1 2.69Å; R196-D210 PolarHBondContact NH2-OD1 3.18Å; R196-D210 IonicContact NH2-OD2 3.7Å; R196-D210 PolarHBondContact NH2-OD2 3.21Å
197	V	93	Very high	87.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.8	166.1	-179.5	0	0	0	0	109	L22 I24 V44 L57 Q58 V59 C208 A209	L22-V197 HydrophobicContact CD1-CG1 4.09Å; L22-V197 HydrophobicContact CD2-CB 4.33Å; L22-V197 HydrophobicContact CD2-CG1 4Å; L22-V197 HydrophobicContact CG-CG1 4.39Å; I24-V197 HydrophobicContact CD1-CG2 3.76Å; I24-V197 HydrophobicContact CG1-CG2 3.65Å; V44-V197 HydrophobicContact CB-CG2 4.42Å; V44-V197 HydrophobicContact CG1-CG1 3.96Å; V44-V197 HydrophobicContact CG1-CG2 4.03Å; V44-V197 HydrophobicContact CG2-CG1 4.44Å; V44-V197 HydrophobicContact CG2-CG2 3.53Å; L57-V197 HydrophobicContact CD1-CG1 3.49Å; L57-V197 VanDerWaalsContact CD1-CG1 3.49Å; L57-V197 HydrophobicContact CG-CG1 4.48Å; Q58-V197 CarbonylContact O-C 3.56Å; Q58-V197 WeakPolarHBondContact O-CA 3.27Å; V59-V197 HydrophobicContact CG1-CG2 4.17Å; V59-V197 HydrophobicContact CG2-CG2 4.27Å; V197-C208 VanDerWaalsContact O-CA 3.23Å; V197-C208 WeakPolarHBondContact O-CA 3.38Å; V197-A209 PolarHBondContact N-O 2.96Å; V197-A209 PolarHBondContact O-N 3Å
198	Y	92.2	Very high	88.2	Confident	57 Å²	57	32 Å²	32	22%	0.224	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.1	167	-59.4	-95.1	0	0	0	108.3	L57 Q58 E60 R196 C208	L57-Y198 WeakPolarHBondContact CA-O 3.28Å; Q58-Y198 PolarHBondContact N-O 3.4Å; Q58-Y198 PolarHBondContact O-N 3.44Å; E60-Y198 HydrophobicContact CB-CD2 4.46Å; E60-Y198 HydrophobicContact CB-CE2 3.79Å; E60-Y198 HydrophobicContact CG-CE2 4.48Å; E60-Y198 WeakPolarHBondContact OE2-CE2 3.48Å; E60-Y198 PolarHBondContact OE2-OH 3.23Å; R196-Y198 HydrophobicContact CB-CE2 4.29Å; R196-Y198 WeakPolarHBondContact CD-OH 3.36Å; R196-Y198 HydrophobicContact CG-CD2 4.16Å; R196-Y198 HydrophobicContact CG-CE1 4.45Å; R196-Y198 HydrophobicContact CG-CE2 3.79Å; R196-Y198 PolarHBondContact NH1-OH 2.88Å; Y198-C208 VanDerWaalsContact CD1-SG 3.55Å
199	L	91.9	Very high	88.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	111.6	171.1	172.3	68.3	0	0	0	107.6	I20 L22 L46 I54 L57 Q206 L207	I20-L199 HydrophobicContact CG2-CD2 4.03Å; L22-L199 HydrophobicContact CD2-CB 3.97Å; L46-L199 HydrophobicContact CD1-CD2 4.12Å; I54-L199 HydrophobicContact CB-CD1 4.41Å; I54-L199 HydrophobicContact CD1-CD1 3.68Å; I54-L199 HydrophobicContact CG1-CD1 3.82Å; I54-L199 HydrophobicContact CG2-CD1 3.69Å; L57-L199 HydrophobicContact CD1-CB 4.12Å; L57-L199 HydrophobicContact CD1-CD1 4Å; L199-Q206 CarbonylContact O-C 3.59Å; L199-Q206 WeakPolarHBondContact O-CA 3.28Å; L199-L207 HydrophobicContact CB-CB 4.27Å; L199-L207 HydrophobicContact CD2-CB 4.29Å; L199-L207 HydrophobicContact CD2-CD2 4.2Å; L199-L207 PolarHBondContact N-O 2.93Å; L199-L207 PolarHBondContact O-N 3.41Å
200	L	90.9	Very high	89	Confident	38 Å²	38	31.9 Å²	31.9	20%	0.199	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.6	176.1	-177.3	64.3	0	0	0	109.4	Q55 I56 Q206	Q55-L200 HydrophobicContact CB-CD2 4.36Å; Q55-L200 HydrophobicContact CB-CG 4.26Å; Q55-L200 HydrophobicContact CG-CD2 4.4Å; Q55-L200 PolarHBondContact N-O 3.18Å; I56-L200 HydrophobicContact CB-CB 4.2Å; I56-L200 HydrophobicContact CD1-CD2 4.25Å; I56-L200 HydrophobicContact CG1-CD2 4.4Å; I56-L200 PolarHBondContact N-O 2.92Å; I56-L200 PolarHBondContact O-N 3.03Å; L200-Q206 HydrophobicContact CD1-CB 4.32Å
201	L	90.1	Very high	89.1	Confident	8 Å²	8	34 Å²	34	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	153.5	177.5	-66.7	163.7	0	0	0	110.5	I20 L52 I54 N203 G204 E205	I20-L201 HydrophobicContact CD1-CD1 3.85Å; L52-L201 HydrophobicContact CB-CD2 4.11Å; L52-L201 HydrophobicContact CD1-CD2 4.15Å; I54-L201 HydrophobicContact CD1-CD2 4.44Å; I54-L201 HydrophobicContact CG1-CD2 3.63Å; L201-N203 WeakPolarHBondContact CB-OD1 3.35Å; L201-N203 PolarHBondContact O-N 3.49Å; L201-N203 VanDerWaalsContact O-N 3.16Å; L201-G204 PolarHBondContact O-N 3.38Å; L201-E205 HydrophobicContact CB-CB 4.43Å; L201-E205 HydrophobicContact CD1-CB 4.08Å; L201-E205 PolarHBondContact N-O 3.47Å
202	S	86.4	Confident	88.9	Confident	60 Å²	60	34.7 Å²	34.7	42%	0.42	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.2	-176.7	62.9	0	0	0	0	114.8	S53 C160 G204	S53-S202 WeakPolarHBondContact CB-OG 3.37Å; S53-S202 PolarHBondContact O-N 3.32Å; S53-S202 PolarHBondContact O-OG 3.48Å; S53-S202 WeakPolarHBondContact OG-CB 3.24Å; S53-S202 PolarHBondContact OG-OG 3.02Å; C160-S202 WeakPolarHBondContact SG-CB 3.49Å; S202-G204 VanDerWaalsContact C-N 3.26Å
203	N	84.2	Confident	88.7	Confident	105 Å²	105	34.6 Å²	34.6	56%	0.561	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	1.3	169.1	65.5	-3.1	0	0	0	113.5	L201 E205	L201-N203 WeakPolarHBondContact CB-OD1 3.35Å; L201-N203 PolarHBondContact O-N 3.49Å; L201-N203 VanDerWaalsContact O-N 3.16Å; N203-E205 VanDerWaalsContact ND2-CD 3.26Å; N203-E205 PolarHBondContact ND2-OE2 3.09Å; N203-E205 WeakPolarHBondContact OD1-CB 3.26Å; N203-E205 WeakPolarHBondContact OD1-CG 3.49Å; N203-E205 PolarHBondContact OD1-N 3.04Å
204	G	83.3	Confident	88.5	Confident	39 Å²	39	39.8 Å²	39.8	40%	0.402	21%	0.212	S	C	.	.	S	Bend	trans	85	2	-178.4	0	0	0	0	0	115	L201 S202	L201-G204 PolarHBondContact O-N 3.38Å; S202-G204 VanDerWaalsContact C-N 3.26Å
205	E	86.1	Confident	88.4	Confident	61 Å²	61	38.4 Å²	38.4	29%	0.285	21%	0.207	S	C	.	.			trans	-76.2	138.5	175	-65.2	178.4	141.6	0	0	111.3	L16 L201 N203	L16-E205 HydrophobicContact CD1-CB 3.9Å; L16-E205 HydrophobicContact CD1-CG 4.1Å; L16-E205 WeakPolarHBondContact CD2-OE2 3.33Å; L201-E205 HydrophobicContact CB-CB 4.43Å; L201-E205 HydrophobicContact CD1-CB 4.08Å; L201-E205 PolarHBondContact N-O 3.47Å; N203-E205 VanDerWaalsContact ND2-CD 3.26Å; N203-E205 PolarHBondContact ND2-OE2 3.09Å; N203-E205 WeakPolarHBondContact OD1-CB 3.26Å; N203-E205 WeakPolarHBondContact OD1-CG 3.49Å; N203-E205 PolarHBondContact OD1-N 3.04Å
206	Q	86.2	Confident	88.1	Confident	84 Å²	84	41.6 Å²	41.6	39%	0.393	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121	-178.4	-169.7	-172	-59.9	0	0	111.6	L199 L200 C208	L199-Q206 CarbonylContact O-C 3.59Å; L199-Q206 WeakPolarHBondContact O-CA 3.28Å; L200-Q206 HydrophobicContact CD1-CB 4.32Å; Q206-C208 PolarHBondContact NE2-SG 3.08Å
207	L	88.5	Confident	87.6	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.6	171.1	-179.2	61.8	0	0	0	110.1	M13 K17 I20 L22 L199	M13-L207 HydrophobicContact CE-CD1 4.26Å; K17-L207 HydrophobicContact CD-CD1 4.29Å; K17-L207 HydrophobicContact CG-CD1 3.85Å; I20-L207 HydrophobicContact CB-CD2 4.12Å; I20-L207 HydrophobicContact CG2-CD2 3.79Å; L22-L207 HydrophobicContact CB-CD2 3.7Å; L22-L207 HydrophobicContact CB-CG 4.35Å; L22-L207 HydrophobicContact CD2-CD2 4.07Å; L22-L207 HydrophobicContact CD2-CG 3.93Å; L199-L207 HydrophobicContact CB-CB 4.27Å; L199-L207 HydrophobicContact CD2-CB 4.29Å; L199-L207 HydrophobicContact CD2-CD2 4.2Å; L199-L207 PolarHBondContact N-O 2.93Å; L199-L207 PolarHBondContact O-N 3.41Å
208	C	88.7	Confident	86.5	Confident	39 Å²	39	46.3 Å²	46.3	26%	0.264	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143	173.1	-64.7	0	0	0	0	112.3	V197 Y198 Q206	V197-C208 VanDerWaalsContact O-CA 3.23Å; V197-C208 WeakPolarHBondContact O-CA 3.38Å; Y198-C208 VanDerWaalsContact CD1-SG 3.55Å; Q206-C208 PolarHBondContact NE2-SG 3.08Å
209	A	88.2	Confident	85.3	Confident	14 Å²	14	43.8 Å²	43.8	12%	0.116	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.9	166.9	0	0	0	0	0	109.2	L22 I24 R196 V197	L22-A209 HydrophobicContact CD2-CB 4.14Å; L22-A209 HydrophobicContact CG-CB 4.16Å; I24-A209 HydrophobicContact CG1-CB 4.42Å; R196-A209 CarbonylContact C-O 3.55Å; R196-A209 VanDerWaalsContact CA-O 3.26Å; R196-A209 WeakPolarHBondContact CA-O 3.25Å; V197-A209 PolarHBondContact N-O 2.96Å; V197-A209 PolarHBondContact O-N 3Å
210	D	87.4	Confident	83.8	Confident	58 Å²	58	48.1 Å²	48.1	31%	0.31	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.3	179.2	-91.7	-51.9	0	0	0	109.1	R194 L195 R196	R194-D210 IonicContact NH1-OD1 3.76Å; L195-D210 CarbonylContact O-C 3.58Å; L195-D210 WeakPolarHBondContact O-CA 3.38Å; R196-D210 WeakPolarHBondContact CB-OD1 3.38Å; R196-D210 IonicContact CZ-OD1 3.69Å; R196-D210 IonicContact CZ-OD2 3.83Å; R196-D210 VanDerWaalsContact NE-CG 3.32Å; R196-D210 IonicContact NE-OD1 3.47Å; R196-D210 PolarHBondContact NE-OD1 3.36Å; R196-D210 IonicContact NE-OD2 3.99Å; R196-D210 PolarHBondContact NE-OD2 2.91Å; R196-D210 IonicContact NH2-OD1 2.69Å; R196-D210 PolarHBondContact NH2-OD1 3.18Å; R196-D210 IonicContact NH2-OD2 3.7Å; R196-D210 PolarHBondContact NH2-OD2 3.21Å
211	K	87.3	Confident	82.5	Confident	46 Å²	46	47.4 Å²	47.4	20%	0.2	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128	174.9	-172.5	169.5	-173.8	179.4	0	111	I24 L26 R194 L195	I24-K211 HydrophobicContact CB-CB 4.11Å; I24-K211 HydrophobicContact CB-CD 3.85Å; I24-K211 HydrophobicContact CD1-CB 3.9Å; I24-K211 HydrophobicContact CG1-CB 4.47Å; I24-K211 HydrophobicContact CG2-CB 4.42Å; I24-K211 HydrophobicContact CG2-CD 3.96Å; I24-K211 WeakPolarHBondContact O-CD 3.06Å; I24-K211 WeakPolarHBondContact O-CE 3.44Å; I24-K211 PolarHBondContact O-NZ 3.19Å; L26-K211 HydrophobicContact CD1-CD 3.94Å; L26-K211 HydrophobicContact CG-CD 4.25Å; R194-K211 WeakPolarHBondContact CA-O 3.34Å; L195-K211 PolarHBondContact N-O 3.01Å; L195-K211 PolarHBondContact O-N 2.88Å
212	G	86.2	Confident	80.9	Confident	17 Å²	17	52.7 Å²	52.7	18%	0.175	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	141.8	177.7	0	0	0	0	0	112.6
213	L	86.3	Confident	79.2	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.5	168.4	-59.9	175.8	0	0	0	109.6	L26 I40 L61 G100 Y193 L195	L26-L213 HydrophobicContact CD1-CD2 3.53Å; I40-L213 HydrophobicContact CD1-CD1 3.53Å; L61-L213 HydrophobicContact CD1-CD1 3.78Å; G100-L213 WeakPolarHBondContact CA-O 3.33Å; Y193-L213 PolarHBondContact O-N 3.39Å; L195-L213 HydrophobicContact CD1-CD1 4.1Å; L195-L213 HydrophobicContact CD1-CD2 4.08Å; L195-L213 HydrophobicContact CD1-CG 4.33Å; L195-L213 HydrophobicContact CG-CD1 4.02Å; L195-L213 HydrophobicContact CG-CG 4.42Å
214	K	87.6	Confident	77	Confident	110 Å²	110	61.4 Å²	61.4	48%	0.478	31%	0.312	S	S	.	.			trans	-116	100.6	173.2	-178	177.6	171.9	-171.2	0	108.5	V33 C34	V33-K214 WeakPolarHBondContact CA-O 3.34Å; V33-K214 HydrophobicContact CG2-CD 4.02Å; V33-K214 HydrophobicContact CG2-CG 4.33Å; C34-K214 PolarHBondContact N-O 3.02Å
215	V	87.8	Confident	75	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	133.1	-178.2	-178.2	0	0	0	0	110	C34 L176 C182 S183 Y193	C34-V215 CarbonylContact O-C 3.56Å; C34-V215 VanDerWaalsContact O-CA 3.32Å; C34-V215 WeakPolarHBondContact O-CA 3.33Å; L176-V215 HydrophobicContact CD1-CG1 4.37Å; L176-V215 HydrophobicContact CD1-CG2 3.91Å; L176-V215 HydrophobicContact CD2-CG2 4.32Å; C182-V215 WeakPolarHBondContact CA-O 3.33Å; S183-V215 PolarHBondContact N-O 2.92Å; S183-V215 PolarHBondContact OG-N 3.32Å; S183-V215 PolarHBondContact OG-O 3.32Å; Y193-V215 HydrophobicContact CD1-CG2 3.94Å; Y193-V215 HydrophobicContact CD2-CB 3.81Å; Y193-V215 HydrophobicContact CD2-CG2 3.5Å; Y193-V215 VanDerWaalsContact CD2-CG2 3.5Å; Y193-V215 HydrophobicContact CE1-CG2 4.27Å; Y193-V215 HydrophobicContact CE2-CB 3.72Å; Y193-V215 HydrophobicContact CE2-CG1 4.37Å; Y193-V215 HydrophobicContact CE2-CG2 3.83Å; Y193-V215 HydrophobicContact CG-CB 4.36Å; Y193-V215 HydrophobicContact CG-CG2 3.55Å
216	L	85.2	Confident	72.7	Confident	67 Å²	67	69.1 Å²	69.1	35%	0.351	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.4	166.7	-66.8	-175.2	0	0	0	110.5	V33 C34 F35 S36	V33-L216 HydrophobicContact CG1-CB 4.2Å; V33-L216 HydrophobicContact CG1-CD1 3.75Å; V33-L216 HydrophobicContact CG1-CG 3.72Å; C34-L216 PolarHBondContact O-N 2.86Å; F35-L216 VanDerWaalsContact CA-O 3.28Å; F35-L216 WeakPolarHBondContact CA-O 3.39Å; F35-L216 HydrophobicContact CD1-CB 4.26Å; F35-L216 WeakPolarHBondContact CD1-O 3.43Å; F35-L216 HydrophobicContact CE1-CB 4.29Å; S36-L216 PolarHBondContact N-O 3.39Å
217	R	82.5	Confident	70.7	Confident	54 Å²	54	68.1 Å²	68.1	20%	0.204	35%	0.345	C	S	.	.			trans	-80.6	135.7	165.6	-171.6	-177	172.3	118.3	-3.7	109.3	S36 A179 C182 T219 E600	S36-R217 WeakPolarHBondContact OG-CA 3.41Å; A179-R217 VanDerWaalsContact C-NH1 3.25Å; A179-R217 PolarHBondContact O-NH1 2.93Å; C182-R217 PolarHBondContact SG-N 3.47Å; R217-T219 VanDerWaalsContact C-N 3.34Å; R217-T219 HydrophobicContact CG-CG2 4.38Å; R217-T219 PolarHBondContact O-N 3.35Å; R217-E600 VanDerWaalsContact CD-O 3.25Å; R217-E600 WeakPolarHBondContact CD-O 3.4Å; R217-E600 IonicContact CZ-OE2 2.73Å; R217-E600 VanDerWaalsContact NE-CB 3.26Å; R217-E600 IonicContact NE-OE2 2.69Å; R217-E600 PolarHBondContact NE-OE2 2.86Å; R217-E600 PolarHBondContact NH1-O 3.06Å; R217-E600 IonicContact NH2-OE2 3.53Å; R217-E600 PolarHBondContact NH2-OE2 3.23Å
218	K	70.5	Confident	68.5	Low	105 Å²	105	69.7 Å²	69.7	46%	0.457	36%	0.356	S	S	.	.			trans	-75.1	85.3	164.7	-67.2	-177.9	-177.3	177.1	0	109.3	F35 I220 T704 D706	F35-K218 HydrophobicContact CD1-CG 4.34Å; K218-I220 PolarHBondContact O-N 2.83Å; K218-I220 VanDerWaalsContact O-N 3.15Å; K218-T704 WeakPolarHBondContact CA-OG1 3.38Å; K218-D706 WeakPolarHBondContact CD-OD1 3.21Å; K218-D706 WeakPolarHBondContact CE-OD1 3.44Å; K218-D706 IonicContact NZ-OD1 3.95Å; K218-D706 PolarHBondContact NZ-OD1 2.76Å
219	T	66.1	Low	66.2	Low	4 Å²	4	69.4 Å²	69.4	3%	0.025	35%	0.354	C	S	.	.			trans	-71.7	101.4	169.9	55	0	0	0	0	108.6	R217 I221 P596 E600 T704	R217-T219 VanDerWaalsContact C-N 3.34Å; R217-T219 HydrophobicContact CG-CG2 4.38Å; R217-T219 PolarHBondContact O-N 3.35Å; T219-I221 PolarHBondContact O-N 2.77Å; T219-P596 HydrophobicContact CG2-CB 3.8Å; T219-P596 HydrophobicContact CG2-CG 3.69Å; T219-P596 WeakPolarHBondContact OG1-CB 3.39Å; T219-E600 WeakPolarHBondContact CA-OE1 3.25Å; T219-E600 VanDerWaalsContact CB-OE1 3.25Å; T219-E600 WeakPolarHBondContact CB-OE1 3.26Å; T219-E600 HydrophobicContact CG2-CB 4.29Å; T219-E600 HydrophobicContact CG2-CG 4.09Å; T219-E600 WeakPolarHBondContact CG2-OE1 3.39Å; T219-T704 PolarHBondContact N-OG1 2.77Å; T219-T704 VanDerWaalsContact N-OG1 3.12Å; T219-T704 CarbonylContact O-C 3.59Å; T219-T704 PolarHBondContact O-N 2.84Å; T219-T704 PolarHBondContact O-OG1 3.29Å
220	I	60.4	Low	63.7	Low	90 Å²	90	70.1 Å²	70.1	46%	0.462	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-75.1	116.1	-171.9	-64.6	170.2	0	0	0	110.3	K218 N222 T704 D706	K218-I220 PolarHBondContact O-N 2.83Å; K218-I220 VanDerWaalsContact O-N 3.15Å; I220-N222 PolarHBondContact O-N 3.02Å; I220-N222 VanDerWaalsContact O-N 3.1Å; I220-T704 WeakPolarHBondContact CA-O 3.41Å; I220-D706 HydrophobicContact CD1-CB 4.38Å; I220-D706 HydrophobicContact CG1-CB 4.35Å
221	I	63.4	Low	61.5	Low	23 Å²	23	71.8 Å²	71.8	12%	0.118	37%	0.365	C	S	.	.			trans	-73.6	100.6	168.3	-58.1	-176.6	0	0	0	109.3	T219 K223 Q449 T704	T219-I221 PolarHBondContact O-N 2.77Å; I221-K223 PolarHBondContact O-N 2.88Å; I221-Q449 HydrophobicContact CG2-CB 3.69Å; I221-Q449 VanDerWaalsContact CG2-CD 3.4Å; I221-Q449 HydrophobicContact CG2-CG 3.85Å; I221-Q449 VanDerWaalsContact CG2-OE1 3.31Å; I221-T704 PolarHBondContact N-O 2.95Å
222	N	57.1	Low	59.1	Low	120 Å²	120	70.5 Å²	70.5	64%	0.642	36%	0.364	S	S	*	.			trans	-66.3	104	162.2	-79.6	-9.8	0	0	0	109.3	I220 M224 Q449	I220-N222 PolarHBondContact O-N 3.02Å; I220-N222 VanDerWaalsContact O-N 3.1Å; N222-M224 PolarHBondContact O-N 3.4Å; N222-M224 VanDerWaalsContact O-N 3.14Å; N222-Q449 PolarHBondContact O-NE2 2.92Å; N222-Q449 PolarHBondContact O-OE1 3.44Å
223	K	50.6	Low	56.8	Low	164 Å²	164	72.9 Å²	72.9	71%	0.713	38%	0.377	S	S	*	.	S	Bend	trans	-57.3	-24.6	178.1	-69.3	-177.7	179.1	176.4	0	113.3	I221 M225	I221-K223 PolarHBondContact O-N 2.88Å; K223-M225 VanDerWaalsContact C-N 3.27Å; K223-M225 PolarHBondContact O-N 3.03Å
224	M	38.9	Very low	54.3	Low	183 Å²	183	75.9 Å²	75.9	90%	0.901	40%	0.396	S	S	*	.			trans	-80.1	71.8	172.1	-84.7	-169	158.3	0	0	111.9	N222	N222-M224 PolarHBondContact O-N 3.4Å; N222-M224 VanDerWaalsContact O-N 3.14Å
225	M	39.4	Very low	51.6	Low	123 Å²	123	72.4 Å²	72.4	61%	0.606	39%	0.385	S	S	*	.			trans	-133	103.1	145.9	-165.6	-176.3	176.8	0	0	107.6	K223 I227	K223-M225 VanDerWaalsContact C-N 3.27Å; K223-M225 PolarHBondContact O-N 3.03Å; M225-I227 HydrophobicContact CE-CD1 4.17Å; M225-I227 HydrophobicContact CE-CG1 3.99Å; M225-I227 HydrophobicContact CG-CD1 4.37Å; M225-I227 HydrophobicContact CG-CG1 3.88Å; M225-I227 PolarHBondContact O-N 2.98Å; M225-I227 HydrophobicContact SD-CD1 3.82Å; M225-I227 HydrophobicContact SD-CG1 3.9Å
226	V	38	Very low	49.1	Very low	140 Å²	140	80 Å²	80	85%	0.848	42%	0.424	S	S	*	.			trans	-76.5	64.6	-178.5	-169.8	0	0	0	0	109.7	P228	V226-P228 WeakPolarHBondContact O-CD 3.44Å
227	I	45.7	Very low	46.7	Very low	63 Å²	63	81.4 Å²	81.4	32%	0.323	44%	0.435	S	S	.	.			trans	-70.3	120.7	162	-53.1	175.6	0	0	0	105.8	M225 S229	M225-I227 HydrophobicContact CE-CD1 4.17Å; M225-I227 HydrophobicContact CE-CG1 3.99Å; M225-I227 HydrophobicContact CG-CD1 4.37Å; M225-I227 HydrophobicContact CG-CG1 3.88Å; M225-I227 PolarHBondContact O-N 2.98Å; M225-I227 HydrophobicContact SD-CD1 3.82Å; M225-I227 HydrophobicContact SD-CG1 3.9Å; I227-S229 PolarHBondContact O-N 3.46Å; I227-S229 VanDerWaalsContact O-N 3.1Å
228	P	40.5	Very low	44.2	Very low	39 Å²	39	88.6 Å²	88.6	25%	0.253	46%	0.462	S	S	.	.			trans	-53.9	121.6	176	-27	35.8	0	0	0	110.3	V226 T230 I248 R448	V226-P228 WeakPolarHBondContact O-CD 3.44Å; P228-T230 WeakPolarHBondContact CB-O 3.49Å; P228-T230 CarbonylContact O-C 3.59Å; P228-T230 PolarHBondContact O-N 2.71Å; P228-T230 VanDerWaalsContact O-N 3.16Å; P228-I248 HydrophobicContact CG-CG2 3.67Å; P228-R448 VanDerWaalsContact O-CZ 3.32Å; P228-R448 PolarHBondContact O-NH2 2.84Å
229	S	42.4	Very low	42.2	Very low	33 Å²	33	91.9 Å²	91.9	23%	0.231	49%	0.485	C	S	.	.	S	Bend	trans	-52.7	-38.3	175.6	55.5	0	0	0	0	110.1	I227 L231 R448	I227-S229 PolarHBondContact O-N 3.46Å; I227-S229 VanDerWaalsContact O-N 3.1Å; S229-L231 PolarHBondContact O-N 2.93Å; S229-R448 PolarHBondContact O-NH2 2.88Å
230	T	35.7	Very low	40.5	Very low	28 Å²	28	99.3 Å²	99.3	17%	0.172	51%	0.514	C	S	.	.			trans	-81.7	95.3	164.3	53.6	0	0	0	0	112.6	P228 T444	P228-T230 WeakPolarHBondContact CB-O 3.49Å; P228-T230 CarbonylContact O-C 3.59Å; P228-T230 PolarHBondContact O-N 2.71Å; P228-T230 VanDerWaalsContact O-N 3.16Å; T230-T444 HydrophobicContact CG2-CG2 4.44Å
231	L	40.3	Very low	38.9	Very low	93 Å²	93	99.8 Å²	99.8	49%	0.487	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-93.7	124.1	141	-70.8	176.8	0	0	0	105.7	S229	S229-L231 PolarHBondContact O-N 2.93Å
232	A	36.1	Very low	37.3	Very low	20 Å²	20	100.2 Å²	100.2	17%	0.165	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-72.4	126.1	158.5	0	0	0	0	0	106.1	P234	A232-P234 VanDerWaalsContact O-CD 3.28Å; A232-P234 WeakPolarHBondContact O-CD 3.38Å
233	C	38	Very low	36	Very low	67 Å²	67	96.4 Å²	96.4	45%	0.453	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-68.3	117.2	167.6	-173.7	0	0	0	0	106.5	L696	C233-L696 HydrophobicContact CB-CD2 3.76Å
234	P	33.9	Very low	35	Very low	67 Å²	67	93.8 Å²	93.8	44%	0.435	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-59.8	145.1	177.9	25.7	-33.9	0	0	0	108.8	A232 I236	A232-P234 VanDerWaalsContact O-CD 3.28Å; A232-P234 WeakPolarHBondContact O-CD 3.38Å; P234-I236 PolarHBondContact O-N 3.14Å
235	P	30.5	Very low	34.5	Very low	37 Å²	37	87 Å²	87	24%	0.24	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-58.4	118.4	-177.7	23.7	-32.6	0	0	0	109.7	T237	P235-T237 CarbonylContact O-C 3.49Å; P235-T237 PolarHBondContact O-N 3.29Å
236	I	37.1	Very low	34.1	Very low	161 Å²	161	86.5 Å²	86.5	83%	0.826	46%	0.461	S	S	*	.	S	Bend	trans	-54.1	-19.8	-177.8	-65.6	170.7	0	0	0	112	P234	P234-I236 PolarHBondContact O-N 3.14Å
237	T	34	Very low	33.7	Very low	95 Å²	95	88.2 Å²	88.2	58%	0.583	46%	0.457	S	S	*	.	S	Bend	trans	-92	99.2	170.2	53.9	0	0	0	0	112.2	P235	P235-T237 CarbonylContact O-C 3.49Å; P235-T237 PolarHBondContact O-N 3.29Å
238	R	30.2	Very low	33	Very low	205 Å²	205	89.3 Å²	89.3	77%	0.774	46%	0.463	S	S	*	.	S	Bend	trans	93.3	154.2	167.1	-55	163.5	170.7	-170.9	-9.6	116.2	Y240	R238-Y240 PolarHBondContact O-N 2.81Å
239	N	28.1	Very low	32.4	Very low	175 Å²	175	91.5 Å²	91.5	94%	0.936	48%	0.479	S	S	*	.	S	Bend	trans	-76	60.3	-172.9	-59.2	8.2	0	0	0	112.5
240	Y	31.2	Very low	31.7	Very low	160 Å²	160	95 Å²	95	63%	0.627	50%	0.504	S	S	*	.			trans	-111.7	93.7	169.6	-149.9	-94	0	0	0	109.1	R238 S242	R238-Y240 PolarHBondContact O-N 2.81Å; Y240-S242 PolarHBondContact O-N 2.78Å
241	V	26.6	Very low	31.5	Very low	100 Å²	100	97.2 Å²	97.2	61%	0.606	53%	0.532	S	S	*	.			trans	-63.2	128.2	159	178.3	0	0	0	0	105.7	S243 D245	V241-S243 PolarHBondContact O-N 2.69Å; V241-D245 HydrophobicContact CG1-CB 4.2Å
242	S	29.4	Very low	31.3	Very low	31 Å²	31	98.5 Å²	98.5	22%	0.217	55%	0.549	C	S	.	.			trans	-68.8	136.7	178.4	86.7	0	0	0	0	108.4	Y240 F244 D245	Y240-S242 PolarHBondContact O-N 2.78Å; S242-F244 PolarHBondContact O-N 2.72Å; S242-F244 WeakPolarHBondContact OG-CB 3.43Å; S242-D245 WeakPolarHBondContact CB-OD2 3.43Å; S242-D245 PolarHBondContact N-OD2 2.99Å; S242-D245 WeakPolarHBondContact O-CB 3.39Å; S242-D245 PolarHBondContact O-N 2.77Å; S242-D245 VanDerWaalsContact OG-CG 3.27Å; S242-D245 PolarHBondContact OG-N 2.83Å; S242-D245 PolarHBondContact OG-OD2 2.96Å
243	S	29.2	Very low	30.8	Very low	40 Å²	40	104.3 Å²	104.3	28%	0.28	58%	0.577	S	S	.	*	H	α-helix	trans	-61.9	-17.3	176.9	44.2	0	0	0	0	112.3	V241 D245 Q246 F247	V241-S243 PolarHBondContact O-N 2.69Å; S243-D245 VanDerWaalsContact C-N 3.31Å; S243-D245 PolarHBondContact O-N 3.35Å; S243-Q246 PolarHBondContact O-N 2.84Å; S243-F247 WeakPolarHBondContact O-CD2 3.49Å
244	F	29.9	Very low	30.3	Very low	110 Å²	110	107.4 Å²	107.4	48%	0.482	59%	0.594	S	S	.	*	H	α-helix	trans	-61.7	-35.1	169.4	-158.4	-90.5	0	0	0	112.8	S242 Q246 F247 I248	S242-F244 PolarHBondContact O-N 2.72Å; S242-F244 WeakPolarHBondContact OG-CB 3.43Å; F244-Q246 VanDerWaalsContact C-N 3.3Å; F244-Q246 PolarHBondContact O-N 2.85Å; F244-F247 PolarHBondContact O-N 3.45Å; F244-I248 HydrophobicContact CD1-CD1 4.01Å; F244-I248 HydrophobicContact CE1-CD1 3.74Å
245	D	29.2	Very low	30	Very low	39 Å²	39	109.8 Å²	109.8	21%	0.209	61%	0.607	C	S	.	*	H	α-helix	trans	-72.1	-25.5	178.5	-57	-60.7	0	0	0	112.1	V241 S242 S243	V241-D245 HydrophobicContact CG1-CB 4.2Å; S242-D245 WeakPolarHBondContact CB-OD2 3.43Å; S242-D245 PolarHBondContact N-OD2 2.99Å; S242-D245 WeakPolarHBondContact O-CB 3.39Å; S242-D245 PolarHBondContact O-N 2.77Å; S242-D245 VanDerWaalsContact OG-CG 3.27Å; S242-D245 PolarHBondContact OG-N 2.83Å; S242-D245 PolarHBondContact OG-OD2 2.96Å; S243-D245 VanDerWaalsContact C-N 3.31Å; S243-D245 PolarHBondContact O-N 3.35Å
246	Q	29.4	Very low	29.7	Very low	113 Å²	113	116.5 Å²	116.5	53%	0.528	63%	0.633	S	S	.	*	H	α-helix	trans	-73.8	-28.3	177.1	-69.3	-171.5	-35.8	0	0	113.4	S243 F244	S243-Q246 PolarHBondContact O-N 2.84Å; F244-Q246 VanDerWaalsContact C-N 3.3Å; F244-Q246 PolarHBondContact O-N 2.85Å
247	F	29.7	Very low	29.2	Very low	177 Å²	177	116.6 Å²	116.6	78%	0.776	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-11.2	-179	-82.1	-75.5	0	0	0	114.7	S243 F244	S243-F247 WeakPolarHBondContact O-CD2 3.49Å; F244-F247 PolarHBondContact O-N 3.45Å
248	I	31.2	Very low	28.8	Very low	85 Å²	85	117.2 Å²	117.2	44%	0.436	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.5	-18.9	-177.6	-59.9	177.3	0	0	0	111.9	P228 F244	P228-I248 HydrophobicContact CG-CG2 3.67Å; F244-I248 HydrophobicContact CD1-CD1 4.01Å; F244-I248 HydrophobicContact CE1-CD1 3.74Å
249	S	27.8	Very low	28.6	Very low	86 Å²	86	114.4 Å²	114.4	60%	0.601	63%	0.632	S	S	*	*	S	Bend	trans	-92.7	108.7	178	-61	0	0	0	0	111.3
250	S	27.8	Very low	28.5	Very low	106 Å²	106	113.3 Å²	113.3	74%	0.741	63%	0.625	S	S	*	*			trans	54.5	106.2	175.8	55.5	0	0	0	0	116.6
251	G	31.8	Very low	28.4	Very low	75 Å²	75	110 Å²	110	77%	0.773	63%	0.625	S	S	*	*	S	Bend	trans	-62.5	152	160.5	0	0	0	0	0	111.6
252	S	35.8	Very low	28.6	Very low	120 Å²	120	116.1 Å²	116.1	84%	0.839	64%	0.637	S	S	*	*	S	Bend	trans	63.4	56.7	178	-166.1	0	0	0	0	116.5
253	N	26.3	Very low	28.7	Very low	141 Å²	141	119.5 Å²	119.5	75%	0.754	66%	0.657	S	S	*	*			trans	-149.6	121	136.1	-104.3	-40.1	0	0	0	111.2	V255	N253-V255 PolarHBondContact O-N 2.75Å
254	T	27.2	Very low	28.6	Very low	132 Å²	132	122.6 Å²	122.6	81%	0.81	68%	0.677	S	S	*	*			trans	-76.9	90.5	175.8	39.2	0	0	0	0	109.7	K256	T254-K256 VanDerWaalsContact C-N 3.34Å; T254-K256 PolarHBondContact O-N 3.45Å
255	V	27.8	Very low	28.7	Very low	118 Å²	118	121.5 Å²	121.5	72%	0.715	68%	0.683	S	S	*	*			trans	-61.9	94.7	175.8	-177.9	0	0	0	0	109.3	N253 F257	N253-V255 PolarHBondContact O-N 2.75Å; V255-F257 PolarHBondContact O-N 3.41Å; V255-F257 VanDerWaalsContact O-N 3.11Å
256	K	24.2	Very low	28.7	Very low	177 Å²	177	129.8 Å²	129.8	77%	0.77	71%	0.711	S	S	*	*			trans	-61.4	113	171.9	-71.6	-179.8	177.9	177.2	0	108	T254 T258	T254-K256 VanDerWaalsContact C-N 3.34Å; T254-K256 PolarHBondContact O-N 3.45Å; K256-T258 PolarHBondContact O-N 3.33Å
257	F	26.8	Very low	28.8	Very low	163 Å²	163	130.9 Å²	130.9	72%	0.715	72%	0.72	S	S	*	*			trans	-66.7	81.7	171.1	-72	-87.2	0	0	0	110.1	V255	V255-F257 PolarHBondContact O-N 3.41Å; V255-F257 VanDerWaalsContact O-N 3.11Å
258	T	24.6	Very low	28.8	Very low	109 Å²	109	126 Å²	126	67%	0.669	71%	0.708	S	S	*	*			trans	-68.6	130.9	163.8	49.5	0	0	0	0	108.4	K256 L260	K256-T258 PolarHBondContact O-N 3.33Å; T258-L260 VanDerWaalsContact C-N 3.33Å; T258-L260 PolarHBondContact O-N 2.93Å
259	N	26.4	Very low	28.8	Very low	146 Å²	146	127.8 Å²	127.8	78%	0.781	72%	0.719	S	S	*	*			trans	-71.8	83.7	-172.8	-82.1	-55.1	0	0	0	111.7	S261	N259-S261 PolarHBondContact O-N 3.48Å
260	L	25.3	Very low	29.1	Very low	151 Å²	151	129.9 Å²	129.9	79%	0.791	72%	0.722	S	S	*	*			trans	-75.7	45	175	-133.7	76.4	0	0	0	112.5	T258	T258-L260 VanDerWaalsContact C-N 3.33Å; T258-L260 PolarHBondContact O-N 2.93Å
261	S	29.2	Very low	29.2	Very low	90 Å²	90	130 Å²	130	63%	0.629	72%	0.722	S	S	*	*			trans	-104.3	17.1	-173.5	56.9	0	0	0	0	113.8	N259	N259-S261 PolarHBondContact O-N 3.48Å
262	R	32.4	Very low	29.2	Very low	230 Å²	230	134 Å²	134	87%	0.868	72%	0.718	S	S	*	*	S	Bend	trans	-135.7	42.7	-175	-71.7	-170.5	171.7	170.9	-2	116
263	T	30.4	Very low	29	Very low	102 Å²	102	136.9 Å²	136.9	63%	0.626	72%	0.716	S	S	*	*	S	Bend	trans	-147	-46.1	164.5	36.9	0	0	0	0	114	S265	T263-S265 PolarHBondContact O-N 2.9Å
264	C	27.6	Very low	29.4	Very low	104 Å²	104	137.8 Å²	137.8	70%	0.703	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	12.2	-168.1	-60.7	0	0	0	0	116.9
265	S	31.5	Very low	29.6	Very low	87 Å²	87	137 Å²	137	61%	0.608	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-6.4	177.1	53.8	0	0	0	0	114.9	T263	T263-S265 PolarHBondContact O-N 2.9Å
266	R	29.5	Very low	29.6	Very low	213 Å²	213	139.7 Å²	139.7	80%	0.804	72%	0.715	S	S	*	*	S	Bend	trans	-92.5	-26.9	177.4	-78.6	-175.4	169.9	169.8	-3.2	114.8
267	L	31.5	Very low	29.9	Very low	137 Å²	137	138.4 Å²	138.4	72%	0.717	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-77.5	-24.1	-176	-71	171.3	0	0	0	114.3	N269	L267-N269 VanDerWaalsContact C-N 3.33Å; L267-N269 PolarHBondContact O-N 3.47Å
268	S	30.4	Very low	30.2	Very low	74 Å²	74	137.1 Å²	137.1	52%	0.517	72%	0.716	S	S	.	*	G	3₁₀ helix	trans	-78.4	-11.4	-178.6	54.9	0	0	0	0	115.1
269	N	30.6	Very low	30.3	Very low	123 Å²	123	139.4 Å²	139.4	66%	0.658	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-103.1	-10	-176.8	-73.5	-0.5	0	0	0	114.1	L267	L267-N269 VanDerWaalsContact C-N 3.33Å; L267-N269 PolarHBondContact O-N 3.47Å
270	L	33.7	Very low	30.2	Very low	129 Å²	129	140.5 Å²	140.5	68%	0.675	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-46.3	174.3	-75.6	163.9	0	0	0	111.4	K272	L270-K272 PolarHBondContact O-N 3.24Å
271	C	30.6	Very low	30.3	Very low	110 Å²	110	142 Å²	142	74%	0.743	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	36	-177.7	-158.1	0	0	0	0	114.1
272	K	32.2	Very low	30.1	Very low	159 Å²	159	149.1 Å²	149.1	69%	0.691	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.5	12.6	-178.7	-80.6	-156.9	169.5	-159.7	0	115.1	L270	L270-K272 PolarHBondContact O-N 3.24Å
273	K	30.9	Very low	29.6	Very low	180 Å²	180	145.5 Å²	145.5	78%	0.783	75%	0.745	S	S	*	*	S	Bend	trans	-114.1	-5.4	174.2	-87.2	-166.1	168.4	-167.8	0	115.3
274	E	34.2	Very low	29.5	Very low	160 Å²	160	147.9 Å²	147.9	75%	0.748	75%	0.753	S	S	*	*	S	Bend	trans	-110.9	2.6	-171.8	-63.3	179.9	141.6	0	0	113.9
275	T	31.3	Very low	29.4	Very low	114 Å²	114	148.1 Å²	148.1	70%	0.699	76%	0.756	S	S	*	*	S	Bend	trans	-129.3	10.9	-172.6	47.1	0	0	0	0	115.3
276	E	28.4	Very low	28.8	Very low	175 Å²	175	153 Å²	153	82%	0.818	77%	0.77	S	S	*	*	S	Bend	trans	-116.8	6.2	171.5	-67	-174.9	166.8	0	0	113
277	N	30.7	Very low	28.7	Very low	151 Å²	151	151.8 Å²	151.8	81%	0.807	77%	0.773	S	S	*	*	S	Bend	trans	-115.3	13.8	-178.6	-86.8	23.2	0	0	0	114.3
278	I	32.6	Very low	28.2	Very low	136 Å²	136	153.9 Å²	153.9	70%	0.697	78%	0.776	S	S	*	*	S	Bend	trans	-135.8	134.8	175.2	-53.5	179.1	0	0	0	107.6
279	L	26.3	Very low	27.7	Very low	157 Å²	157	157.7 Å²	157.7	82%	0.822	79%	0.79	S	S	*	*	S	Bend	trans	77	77.2	-167.6	-50.1	170.6	0	0	0	114.2
280	D	25.4	Very low	27.3	Very low	168 Å²	168	159.2 Å²	159.2	90%	0.898	80%	0.796	S	S	*	*	S	Bend	trans	175.3	33.4	130.8	-89.6	-3.7	0	0	0	114.7
281	E	26.5	Very low	26.7	Very low	183 Å²	183	160.9 Å²	160.9	86%	0.855	80%	0.801	S	S	*	*			trans	-160.1	109.4	157.5	-127.3	171.3	-169.6	0	0	111.3
282	Y	25.8	Very low	26.4	Very low	239 Å²	239	165.2 Å²	165.2	94%	0.937	81%	0.807	S	S	*	*			trans	-164.3	50.7	162.6	-112.5	-67.3	0	0	0	111.9
283	D	22.7	Very low	25.8	Very low	155 Å²	155	165.3 Å²	165.3	83%	0.829	82%	0.815	S	S	*	*			trans	-105.7	101.2	157.2	-94.7	-37.9	0	0	0	107.3
284	N	26.3	Very low	25.4	Very low	151 Å²	151	162 Å²	162	81%	0.807	82%	0.815	S	S	*	*			trans	178.8	150.1	144.8	-99.2	-51	0	0	0	113.8
285	S	25.7	Very low	24.9	Very low	110 Å²	110	160.9 Å²	160.9	77%	0.769	82%	0.818	S	S	*	*			trans	48.4	116.3	158.5	54.2	0	0	0	0	120
286	E	20.4	Very low	24.4	Very low	190 Å²	190	162.5 Å²	162.5	89%	0.888	82%	0.822	S	S	*	*			trans	-54.6	138.4	154.8	-47.4	170.1	128.4	0	0	111.2
287	E	27	Very low	24	Very low	187 Å²	187	160.6 Å²	160.6	87%	0.874	82%	0.817	S	S	*	*			trans	-162.5	175.5	133.2	-117.5	179.2	-173.6	0	0	113.4
288	K	20.8	Very low	23.5	Very low	180 Å²	180	158.6 Å²	158.6	78%	0.783	82%	0.816	S	S	*	*			trans	-81.9	147.4	-156	-68	161	-179.8	157.9	0	115.2
289	L	19.2	Very low	22.9	Very low	154 Å²	154	158 Å²	158	81%	0.806	82%	0.819	S	S	*	*			trans	23.2	125.9	131.5	-53.1	163.6	0	0	0	118.1
290	I	22.1	Very low	22.6	Very low	155 Å²	155	160.6 Å²	160.6	80%	0.795	82%	0.823	S	S	*	*				-171.7	134.6	106.8	-94.6	156	0	0	0	112
291	E	21.1	Very low	22.3	Very low	164 Å²	164	158 Å²	158	77%	0.766	81%	0.814	S	S	*	*			trans	2.6	136.3	155.4	-47.4	174.7	153.4	0	0	121
292	K	25	Very low	22	Very low	202 Å²	202	155.7 Å²	155.7	88%	0.878	81%	0.807	S	S	*	*				-164.1	133.6	101.3	-103	160.4	-173	173.5	0	113.8
293	N	19.7	Very low	21.6	Very low	161 Å²	161	151.1 Å²	151.1	86%	0.861	80%	0.799	S	S	*	*			trans	-94.2	146.2	167.9	-59.1	-61.5	0	0	0	109.9
294	S	22.9	Very low	21.5	Very low	111 Å²	111	153.6 Å²	153.6	78%	0.776	80%	0.798	S	S	*	*			trans	-172.8	123.9	144.3	54.1	0	0	0	0	114.6
295	V	23.2	Very low	21.3	Very low	135 Å²	135	153.5 Å²	153.5	82%	0.818	80%	0.796	S	S	*	*			trans	60.7	90.4	141.8	-171	0	0	0	0	119.5
296	L	20.7	Very low	22.1	Very low	149 Å²	149	153.3 Å²	153.3	78%	0.78	79%	0.793	S	S	*	*				31.2	124.9	114.9	-136.2	75.6	0	0	0	121.5
297	D	19	Very low	22.3	Very low	134 Å²	134	150.9 Å²	150.9	72%	0.717	79%	0.785	S	S	*	*			trans	16.3	123.8	140.8	-47.7	-33.1	0	0	0	120.6
298	S	20.6	Very low	22.2	Very low	110 Å²	110	145.8 Å²	145.8	77%	0.769	76%	0.762	S	S	*	*				168.6	143.2	87.3	47.4	0	0	0	0	115.1
299	T	19.7	Very low	22.4	Very low	124 Å²	124	141.8 Å²	141.8	76%	0.761	75%	0.748	S	S	*	*			trans	-19.5	133.6	166.4	51.8	0	0	0	0	120.2
300	F	21	Very low	22.5	Very low	210 Å²	210	137.4 Å²	137.4	92%	0.921	73%	0.73	S	S	*	*			trans	-141.3	158	145.1	-104.6	-82.1	0	0	0	111.4
301	T	19.5	Very low	22.5	Very low	115 Å²	115	135 Å²	135	71%	0.706	73%	0.727	S	S	*	*			trans	-137.6	168.6	-175.5	60	0	0	0	0	111.9
302	N	19.6	Very low	22.6	Very low	133 Å²	133	135.9 Å²	135.9	71%	0.711	74%	0.737	S	S	*	*			trans	93.5	110.1	166.8	-48.8	4.7	0	0	0	117.6
303	D	18.1	Very low	22.4	Very low	143 Å²	143	129.4 Å²	129.4	77%	0.765	73%	0.727	S	S	*	*				60.6	127.2	119.3	-55.5	-17.8	0	0	0	124.9
304	Y	20	Very low	22.4	Very low	207 Å²	207	130.5 Å²	130.5	81%	0.812	73%	0.727	S	S	*	*			trans	91.8	125.3	138.7	-92.6	-126.1	0	0	0	124.1
305	I	21.7	Very low	22.3	Very low	149 Å²	149	131.1 Å²	131.1	76%	0.764	73%	0.731	S	S	*	*			trans	82.5	148.6	146.5	-72.1	176.9	0	0	0	120.9
306	P	43.6	Very low	22.2	Very low	107 Å²	107	127.6 Å²	127.6	70%	0.695	72%	0.722	S	S	*	*			trans	-120.4	172.3	-169.7	41.4	-26.1	0	0	0	118
307	D	22.9	Very low	22.2	Very low	138 Å²	138	131.1 Å²	131.1	74%	0.738	73%	0.726	S	S	*	*			trans	-156	168	174.4	-157.7	31	0	0	0	108.9
308	H	25.7	Very low	22.3	Very low	81 Å²	81	129.2 Å²	129.2	38%	0.375	72%	0.724	S	S	.	*			cis	153.2	128.4	10	4.6	-70.6	0	0	0	111.9	T320 D321 L322	H308-T320 CarbonylContact O-C 3.59Å; H308-T320 VanDerWaalsContact O-CA 3.22Å; H308-T320 WeakPolarHBondContact O-CA 3.11Å; H308-D321 CarbonylContact C-O 3.55Å; H308-D321 WeakPolarHBondContact CA-O 3.46Å; H308-D321 VanDerWaalsContact CB-O 3.23Å; H308-D321 WeakPolarHBondContact CB-O 3.41Å; H308-D321 PolarHBondContact N-O 2.81Å; H308-D321 PolarHBondContact ND1-O 2.92Å; H308-D321 PolarHBondContact O-N 2.8Å; H308-L322 HydrophobicContact CB-CD2 4.45Å; H308-L322 HydrophobicContact CB-CG 4.48Å
309	L	24.5	Very low	22.4	Very low	96 Å²	96	131.6 Å²	131.6	50%	0.503	73%	0.728	S	S	.	*			trans	95.3	-164.4	168	-79.8	65.6	0	0	0	122.9	T320 D321 L322	L309-T320 VanDerWaalsContact C-CB 3.5Å; L309-T320 VanDerWaalsContact CB-CB 3.45Å; L309-T320 HydrophobicContact CB-CG2 3.85Å; L309-T320 CarbonylContact O-C 3.47Å; L309-D321 PolarHBondContact N-O 3.12Å; L309-D321 CarbonylContact O-C 3.52Å; L309-D321 WeakPolarHBondContact O-CA 3.41Å; L309-D321 PolarHBondContact O-N 2.8Å; L309-L322 WeakPolarHBondContact O-CB 3.27Å; L309-L322 PolarHBondContact O-N 3.29Å
310	S	22.5	Very low	22.5	Very low	61 Å²	61	129 Å²	129	43%	0.427	71%	0.712	S	S	.	*			trans	-115.9	162.4	-135.1	56.8	0	0	0	0	121.6	T320	S310-T320 PolarHBondContact N-OG1 2.89Å; S310-T320 PolarHBondContact O-OG1 3.18Å
311	S	22	Very low	22.8	Very low	105 Å²	105	125 Å²	125	73%	0.734	70%	0.7	S	S	*	*			trans	74	125.8	135.2	63.6	0	0	0	0	123.8	G313	S311-G313 PolarHBondContact O-N 3.33Å
312	L	23.9	Very low	23.4	Very low	183 Å²	183	123.8 Å²	123.8	96%	0.958	69%	0.689	S	S	*	*			trans	-48.5	119.4	145.7	170.6	72.5	0	0	0	111.7
313	G	20.6	Very low	23.5	Very low	65 Å²	65	123 Å²	123	67%	0.67	68%	0.684	S	S	*	*			trans	-177.7	153.7	177.6	0	0	0	0	0	114.2	S311	S311-G313 PolarHBondContact O-N 3.33Å
314	Q	19.8	Very low	23.8	Very low	185 Å²	185	123 Å²	123	86%	0.864	69%	0.685	S	S	*	*	S	Bend	trans	-54.5	136.1	-176.1	-65.7	167.2	-26.3	0	0	114.9	G316	Q314-G316 PolarHBondContact O-N 3.14Å
315	S	20.6	Very low	23.8	Very low	123 Å²	123	117.6 Å²	117.6	86%	0.86	67%	0.673	S	S	*	*	S	Bend	trans	31.8	86	144.6	61.1	0	0	0	0	118.8
316	G	21.2	Very low	23.9	Very low	61 Å²	61	116.4 Å²	116.4	63%	0.629	67%	0.673	S	S	*	*			trans	146.2	133.6	160.4	0	0	0	0	0	114.1	Q314	Q314-G316 PolarHBondContact O-N 3.14Å
317	Y	20.3	Very low	23.1	Very low	224 Å²	224	120.4 Å²	120.4	88%	0.878	68%	0.679	S	S	*	*			trans	56.1	86.3	160.9	-61.9	-79.2	0	0	0	118.8
318	S	21.6	Very low	22.9	Very low	94 Å²	94	122.2 Å²	122.2	66%	0.657	69%	0.688	S	S	*	*				22.4	134.6	127.6	58.8	0	0	0	0	121.5
319	N	20.9	Very low	22.8	Very low	159 Å²	159	125 Å²	125	85%	0.85	71%	0.711	S	S	*	*			trans	80.8	73.3	148.6	-63.1	10.3	0	0	0	118.1
320	T	23.6	Very low	22.6	Very low	71 Å²	71	128.5 Å²	128.5	44%	0.436	72%	0.722	S	S	.	*			trans	-155.2	127.9	163.9	65.9	0	0	0	0	110.2	H308 L309 S310	H308-T320 CarbonylContact O-C 3.59Å; H308-T320 VanDerWaalsContact O-CA 3.22Å; H308-T320 WeakPolarHBondContact O-CA 3.11Å; L309-T320 VanDerWaalsContact C-CB 3.5Å; L309-T320 VanDerWaalsContact CB-CB 3.45Å; L309-T320 HydrophobicContact CB-CG2 3.85Å; L309-T320 CarbonylContact O-C 3.47Å; S310-T320 PolarHBondContact N-OG1 2.89Å; S310-T320 PolarHBondContact O-OG1 3.18Å
321	D	26.6	Very low	22.5	Very low	126 Å²	126	135 Å²	135	67%	0.674	74%	0.739	S	S	*	*			trans	-149.2	132	177.1	-160	5.8	0	0	0	115	H308 L309	H308-D321 CarbonylContact C-O 3.55Å; H308-D321 WeakPolarHBondContact CA-O 3.46Å; H308-D321 VanDerWaalsContact CB-O 3.23Å; H308-D321 WeakPolarHBondContact CB-O 3.41Å; H308-D321 PolarHBondContact N-O 2.81Å; H308-D321 PolarHBondContact ND1-O 2.92Å; H308-D321 PolarHBondContact O-N 2.8Å; L309-D321 PolarHBondContact N-O 3.12Å; L309-D321 CarbonylContact O-C 3.52Å; L309-D321 WeakPolarHBondContact O-CA 3.41Å; L309-D321 PolarHBondContact O-N 2.8Å
322	L	31.3	Very low	22.4	Very low	89 Å²	89	135.6 Å²	135.6	47%	0.466	74%	0.743	S	S	.	*			trans	-128.2	177.1	-156.6	-119.4	170.5	0	0	0	117.8	H308 L309	H308-L322 HydrophobicContact CB-CD2 4.45Å; H308-L322 HydrophobicContact CB-CG 4.48Å; L309-L322 WeakPolarHBondContact O-CB 3.27Å; L309-L322 PolarHBondContact O-N 3.29Å
323	D	23.1	Very low	22.2	Very low	115 Å²	115	133 Å²	133	62%	0.615	73%	0.729	S	S	*	*			trans	-57.8	137	162.2	-68.9	-66.5	0	0	0	114.2
324	D	22.5	Very low	22	Very low	144 Å²	144	134.4 Å²	134.4	77%	0.77	73%	0.729	S	S	*	*			trans	-129.8	111.2	138	-165	21.3	0	0	0	107.9
325	T	21.4	Very low	22.1	Very low	94 Å²	94	130.6 Å²	130.6	58%	0.577	72%	0.723	S	S	*	*			trans	-91.1	163.6	173.4	58.5	0	0	0	0	109.8
326	T	22.6	Very low	22.1	Very low	124 Å²	124	130.2 Å²	130.2	76%	0.761	72%	0.719	S	S	*	*			trans	67.6	82.7	170.4	71.1	0	0	0	0	117.6
327	K	27.1	Very low	22.2	Very low	190 Å²	190	135.1 Å²	135.1	83%	0.826	73%	0.73	S	S	*	*			trans	-145.6	90.5	141.2	-103.4	135.4	-164	159.3	0	111.7
328	L	19.5	Very low	22.3	Very low	177 Å²	177	131.6 Å²	131.6	93%	0.927	73%	0.726	S	S	*	*			trans	-73.6	122.3	168.2	-78.7	160.1	0	0	0	110.3
329	T	23	Very low	22.4	Very low	139 Å²	139	135.6 Å²	135.6	85%	0.853	74%	0.74	S	S	*	*			trans	-151	151.8	152	9.1	0	0	0	0	111.3
330	K	21.2	Very low	22.6	Very low	169 Å²	169	133.4 Å²	133.4	74%	0.735	74%	0.737	S	S	*	*			trans	-59.9	155.4	166.9	-67.9	168.9	-178	172	0	108.6
331	Y	20.7	Very low	22.6	Very low	199 Å²	199	138.7 Å²	138.7	78%	0.78	76%	0.756	S	S	*	*			cis	-141.9	125.6	39.9	-73.5	-97.2	0	0	0	115.2	L333	Y331-L333 HydrophobicContact CD1-CD1 4.09Å
332	S	18.3	Very low	22.5	Very low	116 Å²	116	141.8 Å²	141.8	81%	0.811	77%	0.767	S	S	*	*			trans	-94.9	100.7	150.6	56.7	0	0	0	0	109.6
333	L	19.3	Very low	22	Very low	128 Å²	128	142.2 Å²	142.2	67%	0.67	78%	0.777	S	S	*	*			trans	-155.3	128.2	163.6	-92.5	133.4	0	0	0	104.9	Y331	Y331-L333 HydrophobicContact CD1-CD1 4.09Å
334	S	18.3	Very low	21.8	Very low	96 Å²	96	144.1 Å²	144.1	67%	0.671	79%	0.788	S	S	*	*			cis	70.9	124.6	27.7	94.8	0	0	0	0	114.5
335	S	21.4	Very low	22.1	Very low	104 Å²	104	142.3 Å²	142.3	73%	0.727	78%	0.783	S	S	*	*			trans	65.9	159.6	-176.1	74.5	0	0	0	0	117.5
336	C	21.1	Very low	22	Very low	115 Å²	115	147.8 Å²	147.8	78%	0.777	80%	0.795	S	S	*	*			trans	64.4	109.2	-175.8	-56.1	0	0	0	0	113.4
337	L	22.9	Very low	22	Very low	164 Å²	164	149.5 Å²	149.5	86%	0.859	80%	0.799	S	S	*	*			cis	54.7	75	26.8	-90.6	175	0	0	0	112.6
338	N	22.2	Very low	21.7	Very low	151 Å²	151	146.9 Å²	146.9	81%	0.807	79%	0.794	S	S	*	*			trans	-176.6	89.8	140.3	-92.2	-15.5	0	0	0	108.9	S340	N338-S340 PolarHBondContact O-N 3.28Å
339	D	24.4	Very low	21.8	Very low	178 Å²	178	143.4 Å²	143.4	95%	0.952	79%	0.785	S	S	*	*			trans	-64.8	124.1	169.3	-75.1	-47.6	0	0	0	109
340	S	23.4	Very low	21.6	Very low	113 Å²	113	144.6 Å²	144.6	79%	0.79	78%	0.782	S	S	*	*			trans	-112	146.5	-163.4	29.5	0	0	0	0	112.7	N338 Q342	N338-S340 PolarHBondContact O-N 3.28Å; S340-Q342 PolarHBondContact O-N 2.78Å
341	H	25.2	Very low	21.6	Very low	181 Å²	181	144.2 Å²	144.2	84%	0.838	78%	0.783	S	S	*	*			trans	-74.5	120.8	171.8	-85.2	-103.2	0	0	0	111.2
342	Q	23	Very low	21.5	Very low	192 Å²	192	139.1 Å²	139.1	90%	0.897	78%	0.777	S	S	*	*			trans	56	148.2	151.5	-70.9	178.2	-39	0	0	120	S340	S340-Q342 PolarHBondContact O-N 2.78Å
343	S	21.2	Very low	21.5	Very low	97 Å²	97	139.1 Å²	139.1	68%	0.678	77%	0.772	S	S	*	*			trans	-114.7	138.8	-166.3	56.4	0	0	0	0	113.5
344	N	19.9	Very low	21.5	Very low	156 Å²	156	140.7 Å²	140.7	83%	0.834	78%	0.776	S	S	*	*			trans	61.5	160.6	144.2	-61.7	-16.6	0	0	0	119.1
345	P	27.5	Very low	21.6	Very low	105 Å²	105	143.1 Å²	143.1	68%	0.682	78%	0.781	S	S	*	*			cis	-123.4	-168.1	-2.6	42.9	-28.3	0	0	0	114
346	Y	20.3	Very low	21.5	Very low	210 Å²	210	146.2 Å²	146.2	82%	0.824	78%	0.784	S	S	*	*			trans	6	142.3	162.9	-54.8	-67.9	0	0	0	120.2
347	L	22.1	Very low	21.4	Very low	159 Å²	159	144.9 Å²	144.9	83%	0.832	78%	0.776	S	S	*	*			cis	-155.9	-169.3	48.5	-133.6	129.5	0	0	0	113.8
348	N	21.3	Very low	21.2	Very low	135 Å²	135	145.1 Å²	145.1	72%	0.722	77%	0.773	S	S	*	*			trans	-100	159.6	-163.2	-67.4	-36.7	0	0	0	116.4
349	S	21.2	Very low	21.1	Very low	105 Å²	105	147.4 Å²	147.4	73%	0.734	77%	0.772	S	S	*	*			trans	62.1	112.2	136.6	61.9	0	0	0	0	122.7
350	M	19	Very low	21.2	Very low	164 Å²	164	145 Å²	145	81%	0.808	77%	0.766	S	S	*	*			trans	77.2	145.4	132.1	-63	-165.8	83.9	0	0	122.3
351	Q	21.3	Very low	21	Very low	161 Å²	161	146.6 Å²	146.6	75%	0.752	77%	0.765	S	S	*	*			trans	71.1	91.9	152.7	-79.5	170.8	-32.3	0	0	120.3
352	S	18.4	Very low	21	Very low	92 Å²	92	141.2 Å²	141.2	64%	0.643	76%	0.759	S	S	*	*				55.1	127.7	116.6	60.2	0	0	0	0	122.2
353	T	18.7	Very low	20.9	Very low	116 Å²	116	139.7 Å²	139.7	71%	0.712	75%	0.752	S	S	*	*			trans	74	142.7	141.7	44.5	0	0	0	0	121
354	E	18.7	Very low	21.1	Very low	161 Å²	161	140.7 Å²	140.7	75%	0.752	75%	0.749	S	S	*	*			trans	76.7	107	156.1	-72.7	151.2	-146.5	0	0	120
355	D	19.8	Very low	21.2	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	74%	0.738	S	S	*	*				87.5	134.6	120.1	-64.2	3.7	0	0	0	125.3
356	E	19	Very low	21	Very low	169 Å²	169	140.1 Å²	140.1	79%	0.79	74%	0.736	S	S	*	*			trans	58.9	95.3	140.1	-64	-108.6	112.9	0	0	122.3
357	S	19.8	Very low	21.3	Very low	87 Å²	87	135.4 Å²	135.4	61%	0.608	73%	0.725	S	S	*	*				97.4	161	110.6	85.9	0	0	0	0	122.3
358	Q	19.4	Very low	21.2	Very low	170 Å²	170	134.1 Å²	134.1	79%	0.794	72%	0.719	S	S	*	*			trans	71.1	107.4	159.8	-63.1	-178.7	50.4	0	0	121.6
359	Y	19.8	Very low	21.3	Very low	199 Å²	199	134.8 Å²	134.8	78%	0.78	72%	0.723	S	S	*	*				20.8	139.6	116.2	-76.8	-74.3	0	0	0	119.5
360	P	25.8	Very low	21.7	Very low	128 Å²	128	135.8 Å²	135.8	83%	0.831	73%	0.73	S	S	*	*				-140	170.9	81	38.4	-23.8	0	0	0	117
361	N	20	Very low	21.7	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	74%	0.735	S	S	*	*			trans	-92.6	166.9	177.4	-65.8	-40.3	0	0	0	112.7
362	G	24.6	Very low	22.1	Very low	68 Å²	68	138.6 Å²	138.6	70%	0.701	74%	0.743	S	S	*	*			trans	153.7	154.4	148.1	0	0	0	0	0	114.7
363	E	21.8	Very low	22.3	Very low	159 Å²	159	139.1 Å²	139.1	74%	0.743	75%	0.747	S	S	*	*			cis	-171.6	154.7	-28.2	-130.2	-175.9	-146.1	0	0	108.3
364	N	24.2	Very low	22.6	Very low	118 Å²	118	141.2 Å²	141.2	63%	0.631	75%	0.753	S	S	*	*			trans	64.5	159.4	152.6	-55.7	-15.7	0	0	0	118.2
365	D	23.2	Very low	22.8	Very low	111 Å²	111	139.2 Å²	139.2	59%	0.594	76%	0.755	S	S	*	*			cis	-160.5	149.3	-20.9	-120.1	-31.6	0	0	0	115.4
366	Q	23.5	Very low	23	Very low	138 Å²	138	141.6 Å²	141.6	65%	0.645	76%	0.759	S	S	*	*			trans	58.6	152.1	134.3	-84.7	169.7	68	0	0	128.2
367	N	24.9	Very low	23.6	Very low	112 Å²	112	138.9 Å²	138.9	60%	0.599	76%	0.756	S	S	*	*			trans	86.4	88.3	139	-73	-30	0	0	0	123.8
368	N	21.9	Very low	23.8	Very low	131 Å²	131	144 Å²	144	70%	0.701	77%	0.769	S	S	*	*				65.7	150.3	99.4	-75.5	-40.6	0	0	0	123.7
369	N	23.2	Very low	23.9	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	77%	0.77	S	S	*	*			trans	75.1	106.2	156.2	-63.3	-24.4	0	0	0	120.5
370	S	28.7	Very low	24.2	Very low	127 Å²	127	142.5 Å²	142.5	89%	0.888	77%	0.772	S	S	*	*				-168.3	150.1	95.8	38.3	0	0	0	0	112.7
371	M	19.4	Very low	24.1	Very low	185 Å²	185	147.2 Å²	147.2	91%	0.911	77%	0.773	S	S	*	*			trans	-101.8	133	176.6	-95.7	-80.1	-174.3	0	0	110.5
372	Q	29.7	Very low	24.4	Very low	199 Å²	199	145.9 Å²	145.9	93%	0.93	77%	0.771	S	S	*	*			trans	-162.2	154.9	146.8	-114.3	167.4	45.6	0	0	111.4
373	S	21.8	Very low	24.6	Very low	102 Å²	102	151.7 Å²	151.7	71%	0.713	78%	0.782	S	S	*	*			trans	-129	131.8	-166.6	50.6	0	0	0	0	112.2
374	L	25.2	Very low	24.8	Very low	160 Å²	160	153.6 Å²	153.6	84%	0.838	79%	0.788	S	S	*	*				-173.9	157.8	120.3	-121.5	67.8	0	0	0	113.8
375	C	22.4	Very low	24.9	Very low	119 Å²	119	156 Å²	156	80%	0.804	80%	0.798	S	S	*	*			trans	-0.1	136.2	169.4	-62.6	0	0	0	0	123.8
376	K	24.2	Very low	24.9	Very low	196 Å²	196	160.8 Å²	160.8	85%	0.852	81%	0.813	S	S	*	*			trans	-63.6	179.4	159.7	-49.4	165.9	-176.5	171.2	0	112
377	P	33.2	Very low	25.1	Very low	112 Å²	112	164 Å²	164	73%	0.727	83%	0.825	S	S	*	*				-133.6	169.8	-54.6	37.6	-22.7	0	0	0	112.1
378	H	23.8	Very low	25.2	Very low	194 Å²	194	165.1 Å²	165.1	90%	0.898	84%	0.836	S	S	*	*			trans	-139.7	137.6	157.8	-116.8	-83.5	0	0	0	113.5
379	F	21.4	Very low	25.3	Very low	182 Å²	182	166.5 Å²	166.5	80%	0.798	84%	0.842	S	S	*	*			trans	-74.6	136.4	-179	-117.9	-106.4	0	0	0	111.5
380	N	25.4	Very low	25.5	Very low	157 Å²	157	169.8 Å²	169.8	84%	0.84	85%	0.845	S	S	*	*			trans	-145.7	127.7	157.7	-104	-40.2	0	0	0	110.2
381	R	24.2	Very low	25.5	Very low	226 Å²	226	171.3 Å²	171.3	85%	0.853	84%	0.843	S	S	*	*			trans	-137.3	76.5	-170.4	-170.1	-173.3	-179.2	-179.3	2.9	111.7
382	T	25.1	Very low	26	Very low	119 Å²	119	167.8 Å²	167.8	73%	0.73	84%	0.837	S	S	*	*			trans	-137.2	79.6	-176	40.6	0	0	0	0	112.7
383	M	30.1	Very low	26	Very low	189 Å²	189	165.9 Å²	165.9	93%	0.931	83%	0.832	S	S	*	*			trans	-134.1	122.6	157.2	-83.6	-62.7	158.5	0	0	110.2
384	K	25.4	Very low	26.4	Very low	199 Å²	199	165.6 Å²	165.6	87%	0.865	83%	0.83	S	S	*	*			trans	-138.6	129.3	173.7	-91.8	-171.7	176.8	179.5	0	110
385	M	25.8	Very low	26.6	Very low	170 Å²	170	166.6 Å²	166.6	84%	0.837	83%	0.828	S	S	*	*			trans	49.6	104.6	145.6	-58.9	-59.2	-172.6	0	0	118.6
386	K	24.3	Very low	26.8	Very low	211 Å²	211	166.3 Å²	166.3	92%	0.917	82%	0.823	S	S	*	*			trans	-151.6	146.8	143.7	-111.1	167.4	-174.4	177.7	0	110.1
387	K	27.6	Very low	26.8	Very low	205 Å²	205	162.7 Å²	162.7	89%	0.891	82%	0.817	S	S	*	*			trans	62.9	74.2	175	-60.1	-174	176.2	-175.7	0	117.3
388	T	26.3	Very low	26.4	Very low	136 Å²	136	164.5 Å²	164.5	83%	0.834	82%	0.82	S	S	*	*			trans	-128	82	149.9	54.9	0	0	0	0	109.1
389	L	25.3	Very low	26.3	Very low	159 Å²	159	160.8 Å²	160.8	83%	0.832	81%	0.811	S	S	*	*			trans	-141.8	154.9	174.9	-89.4	170	0	0	0	108.6
390	Y	27.1	Very low	26.5	Very low	218 Å²	218	157.7 Å²	157.7	86%	0.855	81%	0.807	S	S	*	*	S	Bend	trans	73.9	145	-165.5	-64.1	-86.5	0	0	0	115.8
391	N	28.7	Very low	26.3	Very low	159 Å²	159	158.8 Å²	158.8	85%	0.85	81%	0.807	S	S	*	*			trans	64.8	38	171.1	-60.8	-2.6	0	0	0	118.7	L393	N391-L393 VanDerWaalsContact C-N 3.33Å
392	S	28.5	Very low	26.3	Very low	111 Å²	111	157 Å²	157	78%	0.776	80%	0.8	S	S	*	*			trans	-94.1	53.9	155.2	70.4	0	0	0	0	111.8	S394	S392-S394 PolarHBondContact O-N 2.92Å
393	L	31.2	Very low	26.4	Very low	159 Å²	159	157.8 Å²	157.8	83%	0.832	81%	0.809	S	S	*	*			trans	-74.7	70.3	171.2	-165.7	79.6	0	0	0	109.1	N391 K395	N391-L393 VanDerWaalsContact C-N 3.33Å; L393-K395 PolarHBondContact O-N 2.85Å
394	S	29.5	Very low	26.3	Very low	96 Å²	96	152.2 Å²	152.2	67%	0.671	79%	0.789	S	S	*	*			trans	-70.2	89.2	-173	59.4	0	0	0	0	110.7	S392 T396	S392-S394 PolarHBondContact O-N 2.92Å; S394-T396 PolarHBondContact O-N 3.49Å
395	K	28.2	Very low	26.4	Very low	181 Å²	181	149.5 Å²	149.5	79%	0.787	78%	0.783	S	S	*	*			trans	-51.3	103.4	159.8	-72.3	180	178.3	176.5	0	107.3	L393 T397	L393-K395 PolarHBondContact O-N 2.85Å; K395-T397 VanDerWaalsContact C-N 3.26Å; K395-T397 PolarHBondContact O-N 2.88Å
396	T	27.1	Very low	26.5	Very low	113 Å²	113	145.1 Å²	145.1	69%	0.693	76%	0.764	S	S	*	*			trans	-71.2	88.6	178.3	50	0	0	0	0	108.4	S394 L398	S394-T396 PolarHBondContact O-N 3.49Å; T396-L398 PolarHBondContact O-N 2.82Å
397	T	25.1	Very low	26.7	Very low	120 Å²	120	139.9 Å²	139.9	74%	0.736	75%	0.751	S	S	*	*			trans	-61.9	89.5	168.5	49.2	0	0	0	0	107.9	K395 T399	K395-T397 VanDerWaalsContact C-N 3.26Å; K395-T397 PolarHBondContact O-N 2.88Å; T397-T399 PolarHBondContact O-N 2.87Å
398	L	23.6	Very low	26.8	Very low	150 Å²	150	138.2 Å²	138.2	79%	0.785	74%	0.74	S	S	*	*			trans	-66	87.4	173.1	-80	166.3	0	0	0	107.9	T396 V400	T396-L398 PolarHBondContact O-N 2.82Å; L398-V400 PolarHBondContact O-N 3.38Å
399	T	23.2	Very low	26.9	Very low	117 Å²	117	137 Å²	137	72%	0.718	73%	0.734	S	S	*	*			trans	-65.8	85	168.7	46	0	0	0	0	108.2	T397 Q401	T397-T399 PolarHBondContact O-N 2.87Å; T399-Q401 PolarHBondContact O-N 2.78Å
400	V	24	Very low	27.2	Very low	116 Å²	116	134.8 Å²	134.8	70%	0.703	72%	0.723	S	S	*	*			trans	-70.1	78.4	170.3	-175.8	0	0	0	0	107.5	L398 R402	L398-V400 PolarHBondContact O-N 3.38Å; V400-R402 VanDerWaalsContact C-N 3.35Å; V400-R402 HydrophobicContact CG1-CG 4.44Å; V400-R402 PolarHBondContact O-N 2.87Å
401	Q	23	Very low	27.2	Very low	180 Å²	180	128 Å²	128	84%	0.841	71%	0.706	S	S	*	*			trans	-58.2	103.3	162.9	-78.2	-176.5	-52.8	0	0	107.3	T399	T399-Q401 PolarHBondContact O-N 2.78Å
402	R	22.3	Very low	27.4	Very low	190 Å²	190	123.6 Å²	123.6	72%	0.717	69%	0.687	S	S	*	*			trans	-74.5	134.6	167.2	-67.8	176.5	174.8	150.7	-1.3	106.9	V400 S404	V400-R402 VanDerWaalsContact C-N 3.35Å; V400-R402 HydrophobicContact CG1-CG 4.44Å; V400-R402 PolarHBondContact O-N 2.87Å; R402-S404 WeakPolarHBondContact CB-OG 3.45Å; R402-S404 PolarHBondContact O-N 3Å
403	C	27.6	Very low	27.3	Very low	135 Å²	135	121.1 Å²	121.1	91%	0.912	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	37.1	168.9	-55.3	0	0	0	0	111.5
404	S	28.6	Very low	27.3	Very low	72 Å²	72	120.5 Å²	120.5	50%	0.503	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.1	-20.1	174.5	44.4	0	0	0	0	112.7	R402 N406	R402-S404 WeakPolarHBondContact CB-OG 3.45Å; R402-S404 PolarHBondContact O-N 3Å; S404-N406 PolarHBondContact O-N 2.98Å
405	D	26.3	Very low	27.5	Very low	141 Å²	141	122 Å²	122	75%	0.754	65%	0.654	S	S	*	*			trans	-88.7	13.5	-166	-52.1	0.4	0	0	0	111.6	P407	D405-P407 WeakPolarHBondContact O-CD 3.49Å
406	N	29.8	Very low	27.6	Very low	79 Å²	79	117.3 Å²	117.3	42%	0.422	64%	0.644	S	S	.	*			trans	-94.1	105	156.5	178.2	12	0	0	0	107.8	S404 Y408	S404-N406 PolarHBondContact O-N 2.98Å; N406-Y408 PolarHBondContact ND2-O 3.45Å; N406-Y408 PolarHBondContact O-N 3.05Å; N406-Y408 VanDerWaalsContact O-N 3.08Å; N406-Y408 PolarHBondContact OD1-N 2.98Å; N406-Y408 VanDerWaalsContact OD1-N 3.15Å
407	P	27.6	Very low	27.5	Very low	101 Å²	101	118.7 Å²	118.7	66%	0.656	64%	0.642	S	S	*	*	S	Bend	trans	-68.2	-6.8	-178.1	29.3	-35.7	0	0	0	113.4	D405 P409	D405-P407 WeakPolarHBondContact O-CD 3.49Å; P407-P409 WeakPolarHBondContact O-CD 3.46Å
408	Y	28.8	Very low	27.5	Very low	169 Å²	169	118 Å²	118	66%	0.663	64%	0.642	S	S	*	*			trans	-104	88.2	173.3	-53	-72.2	0	0	0	110.2	N406 L410	N406-Y408 PolarHBondContact ND2-O 3.45Å; N406-Y408 PolarHBondContact O-N 3.05Å; N406-Y408 VanDerWaalsContact O-N 3.08Å; N406-Y408 PolarHBondContact OD1-N 2.98Å; N406-Y408 VanDerWaalsContact OD1-N 3.15Å; Y408-L410 PolarHBondContact O-N 2.88Å
409	P	30.2	Very low	27.8	Very low	110 Å²	110	119.9 Å²	119.9	71%	0.714	64%	0.64	S	S	*	*			trans	-62.2	109.6	165.1	27.1	-32.8	0	0	0	108	P407 P411	P407-P409 WeakPolarHBondContact O-CD 3.46Å; P409-P411 VanDerWaalsContact O-CD 3.23Å; P409-P411 WeakPolarHBondContact O-CD 3.44Å; P409-P411 VanDerWaalsContact O-N 3.1Å
410	L	31.2	Very low	28.1	Very low	113 Å²	113	118.6 Å²	118.6	59%	0.592	63%	0.632	S	S	*	*			trans	-54	116.2	-179.4	-75.1	169.8	0	0	0	109.7	Y408 S412 P427	Y408-L410 PolarHBondContact O-N 2.88Å; L410-S412 PolarHBondContact O-N 2.86Å; L410-P427 HydrophobicContact CD2-CG 4.35Å
411	P	26.8	Very low	28.7	Very low	76 Å²	76	118.7 Å²	118.7	49%	0.494	64%	0.638	S	S	.	*			trans	-62.9	126.3	-175.3	-25.6	36.1	0	0	0	111.1	P409 T413 W414	P409-P411 VanDerWaalsContact O-CD 3.23Å; P409-P411 WeakPolarHBondContact O-CD 3.44Å; P409-P411 VanDerWaalsContact O-N 3.1Å; P411-T413 WeakPolarHBondContact CB-OG1 3.2Å; P411-T413 PolarHBondContact O-N 2.81Å; P411-W414 PolarHBondContact O-N 3.16Å
412	S	32.3	Very low	29	Very low	66 Å²	66	114.3 Å²	114.3	46%	0.462	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-62.6	-8.5	-179.4	54.3	0	0	0	0	114.1	L410 W414 I415	L410-S412 PolarHBondContact O-N 2.86Å; S412-W414 VanDerWaalsContact C-N 3.25Å; S412-W414 PolarHBondContact O-N 3.15Å; S412-I415 PolarHBondContact O-N 2.85Å
413	T	27	Very low	29.3	Very low	60 Å²	60	112.2 Å²	112.2	37%	0.368	63%	0.625	S	S	.	*	G	3₁₀ helix	trans	-62.2	-26.7	174.2	52.4	0	0	0	0	113.6	P411 I415 S416 Q417	P411-T413 WeakPolarHBondContact CB-OG1 3.2Å; P411-T413 PolarHBondContact O-N 2.81Å; T413-I415 PolarHBondContact O-N 3.1Å; T413-S416 PolarHBondContact O-N 2.94Å; T413-S416 PolarHBondContact O-OG 2.62Å; T413-Q417 PolarHBondContact O-N 3.24Å
414	W	30.4	Very low	29.3	Very low	146 Å²	146	109 Å²	109	55%	0.553	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-64.5	-21.5	-179.1	-82.3	59	0	0	0	113.9	P411 S412 Y426	P411-W414 PolarHBondContact O-N 3.16Å; S412-W414 VanDerWaalsContact C-N 3.25Å; S412-W414 PolarHBondContact O-N 3.15Å; W414-Y426 HydrophobicContact CZ3-CD1 4.4Å; W414-Y426 HydrophobicContact CZ3-CE1 4.27Å
415	I	34.8	Very low	29.2	Very low	128 Å²	128	112.9 Å²	112.9	66%	0.656	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-89.2	-14.5	176.9	-61	176.1	0	0	0	111.4	S412 T413	S412-I415 PolarHBondContact O-N 2.85Å; T413-I415 PolarHBondContact O-N 3.1Å
416	S	29.9	Very low	29.3	Very low	82 Å²	82	111.3 Å²	111.3	57%	0.573	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	5.6	-165.4	71.9	0	0	0	0	115.9	T413	T413-S416 PolarHBondContact O-N 2.94Å; T413-S416 PolarHBondContact O-OG 2.62Å
417	Q	24.3	Very low	29.1	Very low	141 Å²	141	110.7 Å²	110.7	66%	0.659	61%	0.606	S	S	*	*	S	Bend	trans	-115.5	142.1	179.2	-70.8	-169	-17.9	0	0	112.9	T413	T413-Q417 PolarHBondContact O-N 3.24Å
418	S	26.6	Very low	29	Very low	105 Å²	105	112.7 Å²	112.7	73%	0.734	62%	0.617	S	S	*	*			trans	-67.2	134.6	172.4	51.2	0	0	0	0	110.8	V420	S418-V420 PolarHBondContact O-N 2.91Å
419	Y	30	Very low	28.9	Very low	190 Å²	190	107.7 Å²	107.7	75%	0.745	60%	0.604	S	S	*	*			trans	-61.3	118.9	-178.4	-135.8	-92	0	0	0	111.4
420	V	27.8	Very low	28.7	Very low	91 Å²	91	107.2 Å²	107.2	55%	0.552	60%	0.602	S	S	*	*			trans	-123.1	139.1	169.6	-172.6	0	0	0	0	107.8	S418 S422 H423	S418-V420 PolarHBondContact O-N 2.91Å; V420-S422 PolarHBondContact O-N 2.96Å; V420-H423 PolarHBondContact O-N 3.44Å
421	S	36.3	Very low	28.6	Very low	118 Å²	118	109.7 Å²	109.7	83%	0.825	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-9.7	-161.7	48.2	0	0	0	0	116.9
422	S	31.1	Very low	28.6	Very low	88 Å²	88	109.4 Å²	109.4	62%	0.615	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-14.8	-176.9	50.1	0	0	0	0	115.4	V420	V420-S422 PolarHBondContact O-N 2.96Å
423	H	27.8	Very low	28.3	Very low	145 Å²	145	110 Å²	110	67%	0.671	64%	0.635	S	S	*	*			trans	-107.2	63.3	-171.5	-69.7	71.6	0	0	0	112.5	V420	V420-H423 PolarHBondContact O-N 3.44Å
424	A	28.3	Very low	28.4	Very low	68 Å²	68	110.5 Å²	110.5	56%	0.562	63%	0.633	S	S	*	*			trans	-101.7	8.5	-177.6	0	0	0	0	0	114.9	Y426	A424-Y426 PolarHBondContact O-N 3.37Å
425	I	25.2	Very low	28.5	Very low	154 Å²	154	109.2 Å²	109.2	79%	0.79	64%	0.641	S	S	*	*			trans	-83.7	93.4	-178.9	-53.3	177.9	0	0	0	109.6
426	Y	29.7	Very low	28.7	Very low	108 Å²	108	103.9 Å²	103.9	42%	0.424	62%	0.618	S	S	.	*			trans	-72.5	133.7	169.9	-75.7	-96.1	0	0	0	110.4	W414 A424 T428 F468	W414-Y426 HydrophobicContact CZ3-CD1 4.4Å; W414-Y426 HydrophobicContact CZ3-CE1 4.27Å; A424-Y426 PolarHBondContact O-N 3.37Å; Y426-T428 PolarHBondContact O-N 3.22Å; Y426-F468 HydrophobicContact CE1-CZ 4.3Å
427	P	25.2	Very low	29.4	Very low	66 Å²	66	103.1 Å²	103.1	43%	0.429	60%	0.603	S	S	.	*			trans	-68	128.1	172.7	28.5	-33.5	0	0	0	110.3	L410 T429	L410-P427 HydrophobicContact CD2-CG 4.35Å; P427-T429 PolarHBondContact O-N 3.07Å
428	T	24.9	Very low	30.8	Very low	143 Å²	143	98.6 Å²	98.6	88%	0.877	59%	0.586	S	S	*	*			trans	-78.1	49	-176.4	43.9	0	0	0	0	113.1	Y426 C430	Y426-T428 PolarHBondContact O-N 3.22Å; T428-C430 PolarHBondContact O-N 3.24Å
429	T	27.7	Very low	32.3	Very low	64 Å²	64	93.8 Å²	93.8	39%	0.393	55%	0.552	S	S	.	*			trans	-63.6	123.1	176.1	54.1	0	0	0	0	110.6	P427 L431	P427-T429 PolarHBondContact O-N 3.07Å; T429-L431 PolarHBondContact O-N 3.1Å
430	C	25.5	Very low	34.1	Very low	99 Å²	99	86.3 Å²	86.3	67%	0.669	53%	0.528	S	S	*	.			trans	-56.9	125.1	-170.1	-51.7	0	0	0	0	113.2	T428 G432 A433	T428-C430 PolarHBondContact O-N 3.24Å; C430-G432 VanDerWaalsContact C-N 3.25Å; C430-G432 PolarHBondContact O-N 3.29Å; C430-A433 PolarHBondContact O-N 2.98Å
431	L	28.3	Very low	36.2	Very low	165 Å²	165	82.2 Å²	82.2	86%	0.864	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	78	176.3	-77.8	161.8	0	0	0	111.7	T429	T429-L431 PolarHBondContact O-N 3.1Å
432	G	27	Very low	38.1	Very low	71 Å²	71	78.9 Å²	78.9	73%	0.732	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	169.9	-25.8	-179.3	0	0	0	0	0	114.4	C430	C430-G432 VanDerWaalsContact C-N 3.25Å; C430-G432 PolarHBondContact O-N 3.29Å
433	A	27.1	Very low	40.4	Very low	77 Å²	77	75 Å²	75	64%	0.636	45%	0.445	S	S	*	.			trans	-85.4	-19.3	-177.3	0	0	0	0	0	114.5	C430 T435	C430-A433 PolarHBondContact O-N 2.98Å; A433-T435 VanDerWaalsContact C-N 3.34Å; A433-T435 PolarHBondContact O-N 3.44Å
434	Q	28.8	Very low	42.9	Very low	72 Å²	72	68.5 Å²	68.5	34%	0.336	42%	0.415	S	S	.	.			trans	-75.6	77.4	-176.3	-74.7	169.8	-36.1	0	0	112.3	G436 Y437	Q434-G436 VanDerWaalsContact C-N 3.27Å; Q434-G436 PolarHBondContact O-N 3.08Å; Q434-Y437 HydrophobicContact CB-CE2 4.31Å; Q434-Y437 HydrophobicContact CG-CE2 4.4Å
435	T	32.5	Very low	45.5	Very low	118 Å²	118	65.3 Å²	65.3	72%	0.724	39%	0.388	S	S	*	.			trans	-77.6	64.1	-175.2	52.7	0	0	0	0	114.7	A433	A433-T435 VanDerWaalsContact C-N 3.34Å; A433-T435 PolarHBondContact O-N 3.44Å
436	G	39	Very low	48.1	Very low	17 Å²	17	59.5 Å²	59.5	18%	0.175	36%	0.362	C	S	.	.			trans	76.9	106.3	162.9	0	0	0	0	0	115	Q434 L500	Q434-G436 VanDerWaalsContact C-N 3.27Å; Q434-G436 PolarHBondContact O-N 3.08Å; G436-L500 WeakPolarHBondContact O-CD2 3.23Å
437	Y	45	Very low	50.5	Low	66 Å²	66	58.3 Å²	58.3	26%	0.259	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-77.1	148.3	168.6	-69.3	-101.8	0	0	0	110.6	Q434 I439 E465 D466 A469	Q434-Y437 HydrophobicContact CB-CE2 4.31Å; Q434-Y437 HydrophobicContact CG-CE2 4.4Å; Y437-I439 PolarHBondContact O-N 2.74Å; Y437-E465 HydrophobicContact CD1-CB 3.95Å; Y437-D466 HydrophobicContact CD1-CB 3.76Å; Y437-D466 HydrophobicContact CD2-CB 3.49Å; Y437-D466 VanDerWaalsContact CD2-CB 3.49Å; Y437-D466 HydrophobicContact CE1-CB 3.76Å; Y437-D466 HydrophobicContact CE2-CB 3.49Å; Y437-D466 VanDerWaalsContact CE2-CB 3.49Å; Y437-D466 VanDerWaalsContact CE2-OD2 3.32Å; Y437-D466 WeakPolarHBondContact CE2-OD2 3.17Å; Y437-D466 HydrophobicContact CG-CB 3.61Å; Y437-A469 HydrophobicContact CD2-CB 3.97Å
438	P	53.2	Low	53.1	Low	46 Å²	46	56.5 Å²	56.5	30%	0.299	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-70	131	178	30.8	-35	0	0	0	110.6	E465 L500	P438-E465 VanDerWaalsContact CD-OE2 3.24Å; P438-E465 WeakPolarHBondContact CD-OE2 3.2Å; P438-E465 VanDerWaalsContact CG-CD 3.4Å; P438-E465 HydrophobicContact CG-CG 4.34Å; P438-E465 WeakPolarHBondContact CG-OE1 3.47Å; P438-E465 WeakPolarHBondContact CG-OE2 3.36Å; P438-L500 WeakPolarHBondContact CA-O 3.22Å
439	I	58.2	Low	55.8	Low	3 Å²	3	51.9 Å²	51.9	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.9	179	-61.7	176.6	0	0	0	109.3	Y437 L462 V464 L470 L500 W501 S502 A505	Y437-I439 PolarHBondContact O-N 2.74Å; I439-L462 HydrophobicContact CG2-CD1 3.82Å; I439-L462 HydrophobicContact CG2-CD2 4.13Å; I439-L462 HydrophobicContact CG2-CG 4.01Å; I439-V464 HydrophobicContact CD1-CG1 4.42Å; I439-V464 HydrophobicContact CD1-CG2 4.48Å; I439-V464 HydrophobicContact CG1-CG1 4.1Å; I439-V464 HydrophobicContact CG1-CG2 4.22Å; I439-V464 HydrophobicContact CG2-CG2 4.15Å; I439-L470 HydrophobicContact CD1-CD2 3.82Å; I439-L500 PolarHBondContact N-O 2.81Å; I439-W501 HydrophobicContact CB-CD2 4.03Å; I439-W501 HydrophobicContact CB-CE3 4.01Å; I439-W501 HydrophobicContact CB-CZ3 4.25Å; I439-W501 HydrophobicContact CD1-CD2 4.27Å; I439-W501 HydrophobicContact CD1-CH2 3.79Å; I439-W501 HydrophobicContact CD1-CZ2 3.4Å; I439-W501 HydrophobicContact CD1-CZ3 4.37Å; I439-W501 HydrophobicContact CG2-CD2 4.31Å; I439-W501 HydrophobicContact CG2-CE3 3.79Å; I439-W501 HydrophobicContact CG2-CH2 4.06Å; I439-W501 HydrophobicContact CG2-CZ3 3.64Å; I439-S502 PolarHBondContact O-N 3.33Å; I439-A505 HydrophobicContact CG2-CB 3.93Å; I439-A505 WeakPolarHBondContact O-CB 3.43Å
440	S	66.9	Low	58.4	Low	33 Å²	33	48.9 Å²	48.9	23%	0.231	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	-174.6	-173.2	-163.4	0	0	0	0	111.1	L463	S440-L463 PolarHBondContact N-O 2.83Å; S440-L463 PolarHBondContact O-N 2.92Å
441	C	73.3	Confident	61.1	Low	5 Å²	5	46.2 Å²	46.2	3%	0.034	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.4	170.2	-57.4	0	0	0	0	110.4	L460 S461 L504 A505 L696	C441-L460 HydrophobicContact CB-CD1 3.56Å; C441-L460 HydrophobicContact CB-CG 4.42Å; C441-S461 CarbonylContact C-O 3.42Å; C441-S461 WeakPolarHBondContact CA-O 3.42Å; C441-S461 WeakPolarHBondContact CB-O 3.36Å; C441-L504 HydrophobicContact CB-CD2 3.93Å; C441-L504 HydrophobicContact CB-CG 4.11Å; C441-A505 WeakPolarHBondContact SG-CA 3.39Å; C441-L696 WeakPolarHBondContact O-CD1 3.47Å
442	R	74.7	Confident	63.6	Low	48 Å²	48	41 Å²	41	18%	0.181	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.7	173.7	-166.8	-175.1	-162.9	171.5	9.9	109.3	T444 L460 S461 L463	R442-T444 HydrophobicContact CG-CG2 3.99Å; R442-L460 WeakPolarHBondContact O-CA 3.46Å; R442-L460 WeakPolarHBondContact O-CD1 2.95Å; R442-S461 PolarHBondContact N-O 2.84Å; R442-S461 PolarHBondContact O-N 2.97Å; R442-L463 HydrophobicContact CB-CD1 3.81Å; R442-L463 HydrophobicContact CB-CD2 4.44Å; R442-L463 HydrophobicContact CB-CG 3.9Å; R442-L463 HydrophobicContact CG-CD1 4.37Å
443	L	80.7	Confident	66.3	Low	8 Å²	8	39.8 Å²	39.8	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.9	163.9	-177.6	64.3	0	0	0	108.1	A458 C459 L542 L613 L696 I698	L443-A458 HydrophobicContact CD1-CB 4.19Å; L443-C459 CarbonylContact C-O 2.86Å; L443-C459 WeakPolarHBondContact CA-O 3.38Å; L443-L542 HydrophobicContact CD1-CD1 4.11Å; L443-L542 HydrophobicContact CD2-CD1 4.38Å; L443-L613 HydrophobicContact CB-CD1 4.27Å; L443-L613 HydrophobicContact CD1-CD1 4.21Å; L443-L613 HydrophobicContact CD1-CD2 4.39Å; L443-L613 HydrophobicContact CD1-CG 4.46Å; L443-L613 HydrophobicContact CD2-CD1 4.29Å; L443-L613 HydrophobicContact CD2-CG 4.16Å; L443-L613 HydrophobicContact CG-CD1 4.5Å; L443-L696 HydrophobicContact CB-CB 4.1Å; L443-L696 HydrophobicContact CB-CD1 3.95Å; L443-L696 HydrophobicContact CD2-CB 4.49Å; L443-L696 WeakPolarHBondContact CD2-O 3.48Å; L443-I698 HydrophobicContact CB-CD1 4.16Å; L443-I698 HydrophobicContact CD2-CD1 3.72Å; L443-I698 HydrophobicContact CD2-CG1 4.2Å; L443-I698 HydrophobicContact CG-CD1 3.71Å
444	T	79	Confident	69	Low	8 Å²	8	37.5 Å²	37.5	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	155.6	168.6	61.3	0	0	0	0	109.4	T230 R442 A458 C459 M725	T230-T444 HydrophobicContact CG2-CG2 4.44Å; R442-T444 HydrophobicContact CG-CG2 3.99Å; T444-A458 WeakPolarHBondContact O-CA 3.45Å; T444-C459 PolarHBondContact N-O 3.48Å; T444-C459 PolarHBondContact O-N 2.77Å; T444-C459 PolarHBondContact OG1-O 2.95Å; T444-M725 WeakPolarHBondContact OG1-CE 3.36Å
445	V	83.2	Confident	71.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.4	178.5	-68.5	0	0	0	0	109.9	Q447 R448 L456 T457 A458 L611 I698	V445-Q447 VanDerWaalsContact C-N 3.28Å; V445-Q447 PolarHBondContact O-N 2.91Å; V445-R448 HydrophobicContact CG2-CG 3.87Å; V445-L456 HydrophobicContact CB-CD1 4.18Å; V445-L456 HydrophobicContact CG1-CD1 4.22Å; V445-L456 HydrophobicContact CG1-CD2 4.45Å; V445-T457 CarbonylContact C-O 3.42Å; V445-T457 WeakPolarHBondContact CA-O 3.46Å; V445-A458 HydrophobicContact CG1-CB 4.3Å; V445-L611 HydrophobicContact CG1-CD2 3.54Å; V445-I698 HydrophobicContact CG1-CD1 4.12Å; V445-I698 HydrophobicContact CG2-CD1 4.43Å; V445-I698 HydrophobicContact CG2-CG2 4.28Å
446	S	80.9	Confident	74.2	Confident	33 Å²	33	35.1 Å²	35.1	23%	0.231	19%	0.192	C	C	.	.	S	Bend	trans	-59.8	-37.4	179.9	55.8	0	0	0	0	113	T457	S446-T457 PolarHBondContact N-O 2.82Å; S446-T457 PolarHBondContact OG-N 2.89Å; S446-T457 VanDerWaalsContact OG-N 3.13Å
447	Q	79.8	Confident	76.4	Confident	83 Å²	83	35.1 Å²	35.1	39%	0.388	19%	0.188	S	C	.	.			trans	-158.4	156.4	177.8	61.6	-162.7	-22.9	0	0	110.3	V445 L450 R455	V445-Q447 VanDerWaalsContact C-N 3.28Å; V445-Q447 PolarHBondContact O-N 2.91Å; Q447-L450 HydrophobicContact CG-CD2 3.4Å; Q447-L450 VanDerWaalsContact CG-CD2 3.4Å; Q447-L450 HydrophobicContact CG-CG 3.94Å; Q447-R455 PolarHBondContact NE2-O 2.84Å; Q447-R455 VanDerWaalsContact NE2-O 3.08Å
448	R	78.8	Confident	78.4	Confident	28 Å²	28	32 Å²	32	11%	0.106	18%	0.176	C	C	.	.	S	Bend	trans	-109	-24.3	178.5	-63.4	-171.5	-168.6	169.5	9.2	114.5	P228 S229 V445 I698 I701	P228-R448 VanDerWaalsContact O-CZ 3.32Å; P228-R448 PolarHBondContact O-NH2 2.84Å; S229-R448 PolarHBondContact O-NH2 2.88Å; V445-R448 HydrophobicContact CG2-CG 3.87Å; R448-I698 HydrophobicContact CG-CG2 4.29Å; R448-I701 PolarHBondContact O-N 2.85Å
449	Q	81.5	Confident	79.9	Confident	45 Å²	45	30.8 Å²	30.8	21%	0.21	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.8	170.4	-75.8	-179.2	-20	0	0	108.5	I221 N222 I701	I221-Q449 HydrophobicContact CG2-CB 3.69Å; I221-Q449 VanDerWaalsContact CG2-CD 3.4Å; I221-Q449 HydrophobicContact CG2-CG 3.85Å; I221-Q449 VanDerWaalsContact CG2-OE1 3.31Å; N222-Q449 PolarHBondContact O-NE2 2.92Å; N222-Q449 PolarHBondContact O-OE1 3.44Å; Q449-I701 WeakPolarHBondContact CA-O 3.38Å; Q449-I701 HydrophobicContact CG-CB 4.32Å; Q449-I701 HydrophobicContact CG-CD1 4.35Å
450	L	82.5	Confident	81.1	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	136.5	-165.5	-73.8	147.7	0	0	0	112.1	Q447 S454 L456 I591 I700 I701 V702 G703	Q447-L450 HydrophobicContact CG-CD2 3.4Å; Q447-L450 VanDerWaalsContact CG-CD2 3.4Å; Q447-L450 HydrophobicContact CG-CG 3.94Å; L450-S454 VanDerWaalsContact CD2-OG 3.25Å; L450-S454 WeakPolarHBondContact CD2-OG 3.19Å; L450-L456 HydrophobicContact CD1-CD1 3.53Å; L450-L456 HydrophobicContact CD2-CB 4.24Å; L450-I591 HydrophobicContact CB-CD1 3.68Å; L450-I591 HydrophobicContact CD1-CD1 3.55Å; L450-I591 HydrophobicContact CD2-CD1 3.8Å; L450-I591 HydrophobicContact CG-CD1 3.82Å; L450-I700 HydrophobicContact CD1-CD1 3.91Å; L450-I700 HydrophobicContact CD1-CG1 4.32Å; L450-I700 HydrophobicContact CD1-CG2 3.74Å; L450-I701 PolarHBondContact N-O 2.92Å; L450-V702 VanDerWaalsContact O-CA 3.31Å; L450-V702 WeakPolarHBondContact O-CA 3.44Å; L450-G703 PolarHBondContact O-N 3.12Å
451	N	82.5	Confident	81.7	Confident	43 Å²	43	30.8 Å²	30.8	23%	0.23	17%	0.169	C	C	.	.			trans	-87.6	152.3	167.6	-72.8	-9.8	0	0	0	110.4	G453 S454 T704 T705	N451-G453 PolarHBondContact O-N 3.36Å; N451-S454 PolarHBondContact N-OG 2.92Å; N451-S454 VanDerWaalsContact O-CB 3.24Å; N451-S454 WeakPolarHBondContact O-CB 3.48Å; N451-S454 PolarHBondContact O-N 2.57Å; N451-S454 PolarHBondContact O-OG 3.44Å; N451-T704 WeakPolarHBondContact OD1-CA 3.34Å; N451-T705 PolarHBondContact ND2-OG1 2.83Å; N451-T705 PolarHBondContact OD1-N 2.84Å
452	P	82	Confident	81.8	Confident	54 Å²	54	31 Å²	31	35%	0.351	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	138.7	158.2	-28.7	36.4	0	0	0	111.9	S454 V702 G703	P452-S454 PolarHBondContact O-N 2.82Å; P452-V702 HydrophobicContact CG-CG1 4.37Å; P452-G703 WeakPolarHBondContact CD-O 3.16Å
453	G	82.6	Confident	81.3	Confident	47 Å²	47	32.2 Å²	32.2	49%	0.485	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-16.7	-174.7	0	0	0	0	0	115.4	N451 H590 I591	N451-G453 PolarHBondContact O-N 3.36Å; G453-H590 PolarHBondContact O-ND1 2.87Å; G453-I591 WeakPolarHBondContact CA-O 3.42Å; G453-I591 PolarHBondContact N-O 3.44Å
454	S	83.5	Confident	80.4	Confident	28 Å²	28	33 Å²	33	20%	0.196	18%	0.184	C	C	.	.			trans	-67	149.1	177.8	70.9	0	0	0	0	112.1	L450 N451 P452 H590 I591	L450-S454 VanDerWaalsContact CD2-OG 3.25Å; L450-S454 WeakPolarHBondContact CD2-OG 3.19Å; N451-S454 PolarHBondContact N-OG 2.92Å; N451-S454 VanDerWaalsContact O-CB 3.24Å; N451-S454 WeakPolarHBondContact O-CB 3.48Å; N451-S454 PolarHBondContact O-N 2.57Å; N451-S454 PolarHBondContact O-OG 3.44Å; P452-S454 PolarHBondContact O-N 2.82Å; S454-H590 WeakPolarHBondContact O-CA 3.48Å; S454-I591 PolarHBondContact O-N 2.83Å
455	R	85	Confident	79.1	Confident	141 Å²	141	38 Å²	38	53%	0.532	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125	-179.4	-178.2	179.8	166	-177.2	0.3	109.9	Q447 T588	Q447-R455 PolarHBondContact NE2-O 2.84Å; Q447-R455 VanDerWaalsContact NE2-O 3.08Å; R455-T588 HydrophobicContact CG-CG2 3.86Å
456	L	85.9	Confident	77.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.7	165.4	178.4	140	0	0	0	109.6	V445 L450 A458 T588 F589 I591 L611 I700	V445-L456 HydrophobicContact CB-CD1 4.18Å; V445-L456 HydrophobicContact CG1-CD1 4.22Å; V445-L456 HydrophobicContact CG1-CD2 4.45Å; L450-L456 HydrophobicContact CD1-CD1 3.53Å; L450-L456 HydrophobicContact CD2-CB 4.24Å; L456-A458 HydrophobicContact CD2-CB 4.02Å; L456-T588 WeakPolarHBondContact O-CA 3.47Å; L456-F589 HydrophobicContact CD2-CD1 4.25Å; L456-F589 HydrophobicContact CD2-CE1 3.55Å; L456-F589 HydrophobicContact CD2-CZ 4.21Å; L456-F589 PolarHBondContact N-O 3.01Å; L456-F589 PolarHBondContact O-N 2.78Å; L456-I591 HydrophobicContact CB-CD1 4.39Å; L456-L611 HydrophobicContact CD1-CD2 4.3Å; L456-L611 HydrophobicContact CD2-CD2 3.85Å; L456-I700 HydrophobicContact CD1-CD1 3.7Å
457	T	85.7	Confident	75.8	Confident	16 Å²	16	38.5 Å²	38.5	10%	0.098	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.7	167.3	-66.2	0	0	0	0	107.8	V445 S446 E586 T588	V445-T457 CarbonylContact C-O 3.42Å; V445-T457 WeakPolarHBondContact CA-O 3.46Å; S446-T457 PolarHBondContact N-O 2.82Å; S446-T457 PolarHBondContact OG-N 2.89Å; S446-T457 VanDerWaalsContact OG-N 3.13Å; T457-E586 HydrophobicContact CG2-CG 3.69Å; T457-E586 WeakPolarHBondContact CG2-OE1 3.28Å; T457-T588 WeakPolarHBondContact CB-OG1 3.48Å; T457-T588 WeakPolarHBondContact CG2-OG1 3.36Å; T457-T588 PolarHBondContact OG1-OG1 3.37Å
458	A	86.7	Confident	73.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.3	172.5	0	0	0	0	0	109.4	L443 T444 V445 L456 L542 E586 H587 L611	L443-A458 HydrophobicContact CD1-CB 4.19Å; T444-A458 WeakPolarHBondContact O-CA 3.45Å; V445-A458 HydrophobicContact CG1-CB 4.3Å; L456-A458 HydrophobicContact CD2-CB 4.02Å; A458-L542 HydrophobicContact CB-CD1 3.81Å; A458-L542 HydrophobicContact CB-CD2 3.54Å; A458-L542 HydrophobicContact CB-CG 4.33Å; A458-E586 CarbonylContact O-C 3.5Å; A458-E586 WeakPolarHBondContact O-CA 3.26Å; A458-H587 PolarHBondContact N-O 3.1Å; A458-H587 PolarHBondContact O-N 3.16Å; A458-L611 HydrophobicContact CB-CD2 4.35Å
459	C	84.1	Confident	72.2	Confident	22 Å²	22	37.5 Å²	37.5	15%	0.149	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.8	-178.9	179.6	0	0	0	0	109	L443 T444 M725	L443-C459 CarbonylContact C-O 2.86Å; L443-C459 WeakPolarHBondContact CA-O 3.38Å; T444-C459 PolarHBondContact N-O 3.48Å; T444-C459 PolarHBondContact O-N 2.77Å; T444-C459 PolarHBondContact OG1-O 2.95Å; C459-M725 HydrophobicContact CB-SD 3.96Å
460	L	84.8	Confident	70.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.2	175.9	179.6	63.3	0	0	0	108.4	C441 R442 L504 F508 I540 M570 A584 L585 L613 L696	C441-L460 HydrophobicContact CB-CD1 3.56Å; C441-L460 HydrophobicContact CB-CG 4.42Å; R442-L460 WeakPolarHBondContact O-CA 3.46Å; R442-L460 WeakPolarHBondContact O-CD1 2.95Å; L460-L504 HydrophobicContact CD1-CD2 4.17Å; L460-L504 HydrophobicContact CD2-CD1 4.25Å; L460-F508 HydrophobicContact CD2-CD2 4.01Å; L460-F508 HydrophobicContact CG-CD2 4.05Å; L460-F508 HydrophobicContact CG-CE2 4.22Å; L460-F508 WeakPolarHBondContact O-CE2 3.44Å; L460-I540 HydrophobicContact CD2-CD1 3.94Å; L460-I540 HydrophobicContact CD2-CG2 4.05Å; L460-M570 HydrophobicContact CB-CE 3.73Å; L460-M570 HydrophobicContact CB-SD 3.78Å; L460-M570 HydrophobicContact CD2-SD 3.94Å; L460-A584 WeakPolarHBondContact O-CA 3.42Å; L460-L585 HydrophobicContact CB-CB 4.39Å; L460-L585 PolarHBondContact N-O 3.26Å; L460-L585 PolarHBondContact O-N 2.94Å; L460-L613 HydrophobicContact CD1-CD1 3.72Å; L460-L613 HydrophobicContact CD2-CD1 3.9Å; L460-L613 HydrophobicContact CG-CD1 4.35Å; L460-L696 HydrophobicContact CD1-CD1 4.47Å
461	S	78.9	Confident	68.1	Low	36 Å²	36	41.9 Å²	41.9	25%	0.252	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	156.6	173.4	62.1	0	0	0	0	111.6	C441 R442	C441-S461 CarbonylContact C-O 3.42Å; C441-S461 WeakPolarHBondContact CA-O 3.42Å; C441-S461 WeakPolarHBondContact CB-O 3.36Å; R442-S461 PolarHBondContact N-O 2.84Å; R442-S461 PolarHBondContact O-N 2.97Å
462	L	74.4	Confident	65.6	Low	10 Å²	10	44.4 Å²	44.4	5%	0.052	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.2	168.1	-160.4	76.1	0	0	0	109.1	I439 V464 A505 F508 L580 L581	I439-L462 HydrophobicContact CG2-CD1 3.82Å; I439-L462 HydrophobicContact CG2-CD2 4.13Å; I439-L462 HydrophobicContact CG2-CG 4.01Å; L462-V464 HydrophobicContact CD2-CG2 3.84Å; L462-V464 HydrophobicContact CG-CG2 4.23Å; L462-A505 HydrophobicContact CD1-CB 3.96Å; L462-F508 HydrophobicContact CB-CD1 4.43Å; L462-F508 HydrophobicContact CB-CE1 4.2Å; L462-F508 HydrophobicContact CD1-CD1 4.04Å; L462-F508 HydrophobicContact CD1-CG 4.41Å; L462-L580 HydrophobicContact CD2-CD2 4.14Å; L462-L580 HydrophobicContact CD2-CG 4.14Å; L462-L581 HydrophobicContact CD2-CD2 4.37Å
463	L	65.3	Low	63.1	Low	72 Å²	72	43.6 Å²	43.6	38%	0.377	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.6	165	-72.2	-178.4	0	0	0	108.9	S440 R442	S440-L463 PolarHBondContact N-O 2.83Å; S440-L463 PolarHBondContact O-N 2.92Å; R442-L463 HydrophobicContact CB-CD1 3.81Å; R442-L463 HydrophobicContact CB-CD2 4.44Å; R442-L463 HydrophobicContact CB-CG 3.9Å; R442-L463 HydrophobicContact CG-CD1 4.37Å
464	V	61.1	Low	60.5	Low	26 Å²	26	46.9 Å²	46.9	16%	0.158	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.8	171.8	-172	0	0	0	0	105.8	I439 L462 D466 L470 L581	I439-V464 HydrophobicContact CD1-CG1 4.42Å; I439-V464 HydrophobicContact CD1-CG2 4.48Å; I439-V464 HydrophobicContact CG1-CG1 4.1Å; I439-V464 HydrophobicContact CG1-CG2 4.22Å; I439-V464 HydrophobicContact CG2-CG2 4.15Å; L462-V464 HydrophobicContact CD2-CG2 3.84Å; L462-V464 HydrophobicContact CG-CG2 4.23Å; V464-D466 WeakPolarHBondContact CG1-O 3.41Å; V464-D466 PolarHBondContact O-N 2.86Å; V464-L470 HydrophobicContact CG2-CD1 4.06Å; V464-L470 HydrophobicContact CG2-CG 4.46Å; V464-L581 HydrophobicContact CB-CD2 4.23Å; V464-L581 HydrophobicContact CG2-CD2 3.58Å
465	E	52.2	Low	57.7	Low	112 Å²	112	50.3 Å²	50.3	52%	0.523	28%	0.278	S	S	.	.	S	Bend	trans	-69.5	-23.8	-176.1	-67.1	177.6	179.7	0	0	112.9	Y437 P438	Y437-E465 HydrophobicContact CD1-CB 3.95Å; P438-E465 VanDerWaalsContact CD-OE2 3.24Å; P438-E465 WeakPolarHBondContact CD-OE2 3.2Å; P438-E465 VanDerWaalsContact CG-CD 3.4Å; P438-E465 HydrophobicContact CG-CG 4.34Å; P438-E465 WeakPolarHBondContact CG-OE1 3.47Å; P438-E465 WeakPolarHBondContact CG-OE2 3.36Å
466	D	48.3	Very low	55.1	Low	15 Å²	15	51 Å²	51	8%	0.08	29%	0.291	C	S	.	.			trans	-135.1	114.5	165.5	165.8	29.1	0	0	0	109.7	Y437 V464 F468 A469	Y437-D466 HydrophobicContact CD1-CB 3.76Å; Y437-D466 HydrophobicContact CD2-CB 3.49Å; Y437-D466 VanDerWaalsContact CD2-CB 3.49Å; Y437-D466 HydrophobicContact CE1-CB 3.76Å; Y437-D466 HydrophobicContact CE2-CB 3.49Å; Y437-D466 VanDerWaalsContact CE2-CB 3.49Å; Y437-D466 VanDerWaalsContact CE2-OD2 3.32Å; Y437-D466 WeakPolarHBondContact CE2-OD2 3.17Å; Y437-D466 HydrophobicContact CG-CB 3.61Å; V464-D466 WeakPolarHBondContact CG1-O 3.41Å; V464-D466 PolarHBondContact O-N 2.86Å; D466-F468 PolarHBondContact O-N 2.83Å; D466-F468 WeakPolarHBondContact OD1-CB 3.38Å; D466-F468 VanDerWaalsContact OD1-CD2 3.28Å; D466-F468 WeakPolarHBondContact OD1-CD2 3.25Å; D466-F468 PolarHBondContact OD1-N 2.89Å; D466-A469 VanDerWaalsContact O-CB 3.28Å; D466-A469 WeakPolarHBondContact O-CB 3.07Å; D466-A469 PolarHBondContact O-N 3.37Å; D466-A469 PolarHBondContact OD2-N 3.46Å
467	P	46.2	Very low	52.4	Low	28 Å²	28	57.4 Å²	57.4	18%	0.182	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-61.7	-29.8	179	26	-33.4	0	0	0	113.1	A469 L470 L581 M731 W733	P467-A469 PolarHBondContact O-N 3.21Å; P467-L470 PolarHBondContact O-N 3.39Å; P467-L581 HydrophobicContact CB-CD1 3.92Å; P467-M731 HydrophobicContact CG-CE 3.67Å; P467-M731 HydrophobicContact CG-SD 3.67Å; P467-W733 HydrophobicContact CB-CZ2 4.04Å; P467-W733 WeakPolarHBondContact O-CH2 3.41Å; P467-W733 WeakPolarHBondContact O-CZ2 3.42Å
468	F	39	Very low	50.1	Low	78 Å²	78	60.6 Å²	60.6	34%	0.342	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-65.9	-23.1	-179.3	-62.2	-69.5	0	0	0	112.7	Y426 D466 L470 L471 M731	Y426-F468 HydrophobicContact CE1-CZ 4.3Å; D466-F468 PolarHBondContact O-N 2.83Å; D466-F468 WeakPolarHBondContact OD1-CB 3.38Å; D466-F468 VanDerWaalsContact OD1-CD2 3.28Å; D466-F468 WeakPolarHBondContact OD1-CD2 3.25Å; D466-F468 PolarHBondContact OD1-N 2.89Å; F468-L470 PolarHBondContact O-N 3.29Å; F468-L470 VanDerWaalsContact O-N 3.14Å; F468-L471 PolarHBondContact O-N 2.83Å; F468-M731 HydrophobicContact CD2-CE 4.38Å; F468-M731 HydrophobicContact CE1-CE 4.36Å; F468-M731 HydrophobicContact CE2-CE 3.48Å; F468-M731 VanDerWaalsContact CE2-CE 3.48Å; F468-M731 HydrophobicContact CZ-CE 3.47Å; F468-M731 VanDerWaalsContact CZ-CE 3.47Å
469	A	43.3	Very low	47.3	Very low	13 Å²	13	68.3 Å²	68.3	11%	0.107	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-57	-25.1	170.8	0	0	0	0	0	113.4	Y437 D466 P467 L471 F489	Y437-A469 HydrophobicContact CD2-CB 3.97Å; D466-A469 VanDerWaalsContact O-CB 3.28Å; D466-A469 WeakPolarHBondContact O-CB 3.07Å; D466-A469 PolarHBondContact O-N 3.37Å; D466-A469 PolarHBondContact OD2-N 3.46Å; P467-A469 PolarHBondContact O-N 3.21Å; A469-L471 PolarHBondContact O-N 3.19Å; A469-F489 WeakPolarHBondContact O-CE2 3.43Å; A469-F489 WeakPolarHBondContact O-CZ 3.31Å
470	L	42.2	Very low	44.6	Very low	17 Å²	17	72.1 Å²	72.1	9%	0.089	43%	0.427	C	S	.	.	S	Bend	trans	-80.1	60.7	170.9	-69.6	-177.7	0	0	0	111.8	I439 V464 P467 F468 L472 F489 L580 L581	I439-L470 HydrophobicContact CD1-CD2 3.82Å; V464-L470 HydrophobicContact CG2-CD1 4.06Å; V464-L470 HydrophobicContact CG2-CG 4.46Å; P467-L470 PolarHBondContact O-N 3.39Å; F468-L470 PolarHBondContact O-N 3.29Å; F468-L470 VanDerWaalsContact O-N 3.14Å; L470-L472 PolarHBondContact O-N 3.04Å; L470-F489 HydrophobicContact CD2-CE2 4.39Å; L470-L580 HydrophobicContact CD1-CD2 4.42Å; L470-L581 HydrophobicContact CD1-CD1 4.29Å; L470-L581 HydrophobicContact CD1-CD2 3.78Å; L470-L581 HydrophobicContact CD1-CG 3.93Å
471	L	35.5	Very low	42.2	Very low	121 Å²	121	79.8 Å²	79.8	63%	0.634	47%	0.467	S	S	*	.			trans	-60.3	102	170.3	-76.2	172.8	0	0	0	110.6	F468 A469 A473 A487	F468-L471 PolarHBondContact O-N 2.83Å; A469-L471 PolarHBondContact O-N 3.19Å; L471-A473 PolarHBondContact O-N 2.77Å; L471-A487 WeakPolarHBondContact O-CA 3.27Å; L471-A487 VanDerWaalsContact O-CB 3.28Å; L471-A487 WeakPolarHBondContact O-CB 3.49Å
472	L	30.4	Very low	40	Very low	97 Å²	97	82.1 Å²	82.1	51%	0.508	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-51.7	118.8	159.5	-82.5	153.4	0	0	0	108.1	L470 P474 W485	L470-L472 PolarHBondContact O-N 3.04Å; L472-P474 WeakPolarHBondContact O-CD 3.32Å; L472-W485 HydrophobicContact CD2-CB 4.35Å; L472-W485 WeakPolarHBondContact CD2-O 3.48Å
473	A	30.1	Very low	38.1	Very low	36 Å²	36	81.8 Å²	81.8	30%	0.298	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-70.1	119.6	174.6	0	0	0	0	0	108.1	L471 K488	L471-A473 PolarHBondContact O-N 2.77Å; A473-K488 HydrophobicContact CB-CB 3.73Å
474	P	27.6	Very low	36.5	Very low	117 Å²	117	83.3 Å²	83.3	76%	0.76	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-60.9	148.6	176.9	25.7	-33.5	0	0	0	110	L472 L476	L472-P474 WeakPolarHBondContact O-CD 3.32Å; P474-L476 VanDerWaalsContact C-N 3.35Å; P474-L476 PolarHBondContact O-N 2.89Å
475	S	26	Very low	35.3	Very low	99 Å²	99	85.7 Å²	85.7	69%	0.692	49%	0.49	S	S	*	.			trans	-69.8	85	-172.1	53.7	0	0	0	0	112.1	N477	S475-N477 PolarHBondContact O-N 3.19Å; S475-N477 VanDerWaalsContact O-N 3.16Å
476	L	30.1	Very low	34.3	Very low	156 Å²	156	81.7 Å²	81.7	82%	0.817	47%	0.474	S	S	*	.			trans	-69.5	111	175.7	-149.3	77.3	0	0	0	109.8	P474	P474-L476 VanDerWaalsContact C-N 3.35Å; P474-L476 PolarHBondContact O-N 2.89Å
477	N	28.2	Very low	33.7	Very low	134 Å²	134	82.7 Å²	82.7	72%	0.717	48%	0.484	S	S	*	.	S	Bend	trans	67.6	76.3	167.3	-55.6	-4.9	0	0	0	117.2	S475 M479	S475-N477 PolarHBondContact O-N 3.19Å; S475-N477 VanDerWaalsContact O-N 3.16Å; N477-M479 VanDerWaalsContact C-N 3.25Å; N477-M479 PolarHBondContact O-N 2.9Å
478	G	37.4	Very low	32.7	Very low	83 Å²	83	89.2 Å²	89.2	86%	0.856	51%	0.51	S	S	*	.	S	Bend		62.4	-6.5	117.4	0	0	0	0	0	122
479	M	27.6	Very low	32.5	Very low	163 Å²	163	87.6 Å²	87.6	80%	0.803	50%	0.503	S	S	*	.			trans	-135.5	145.9	-175.6	-72.8	-68.4	-83.7	0	0	112.3	N477	N477-M479 VanDerWaalsContact C-N 3.25Å; N477-M479 PolarHBondContact O-N 2.9Å
480	S	28.6	Very low	31.7	Very low	102 Å²	102	94 Å²	94	71%	0.713	54%	0.535	S	S	*	.			trans	72	132.7	179.8	75.5	0	0	0	0	117.5	D482	S480-D482 PolarHBondContact O-N 3.13Å
481	N	33.6	Very low	31.1	Very low	160 Å²	160	96.3 Å²	96.3	86%	0.856	55%	0.55	S	S	*	*			trans	-83.4	82.1	179.5	-76.9	-40.5	0	0	0	111.4
482	D	33.2	Very low	30.7	Very low	85 Å²	85	97.3 Å²	97.3	46%	0.455	56%	0.556	S	S	.	*			trans	-143.8	168.8	174.2	-123.2	-43.6	0	0	0	116.3	S480 N484	S480-D482 PolarHBondContact O-N 3.13Å; D482-N484 VanDerWaalsContact C-N 3.29Å; D482-N484 PolarHBondContact O-N 2.78Å
483	L	34.4	Very low	30.9	Very low	4 Å²	4	97 Å²	97	2%	0.021	55%	0.554	C	S	.	*			trans	-69.2	52.6	-158.7	-72	143.7	0	0	0	117.4	W485 I517 K520 F521 W529	L483-W485 HydrophobicContact CD2-CZ2 4.47Å; L483-W485 PolarHBondContact O-N 3.12Å; L483-I517 HydrophobicContact CD1-CB 4.4Å; L483-I517 HydrophobicContact CD1-CG1 3.44Å; L483-I517 VanDerWaalsContact CD1-CG1 3.44Å; L483-K520 HydrophobicContact CD2-CD 3.61Å; L483-K520 VanDerWaalsContact CD2-CE 3.48Å; L483-K520 HydrophobicContact CD2-CG 4.19Å; L483-K520 HydrophobicContact CG-CD 4.09Å; L483-F521 HydrophobicContact CD1-CE2 3.96Å; L483-W529 HydrophobicContact CB-CH2 4.23Å; L483-W529 HydrophobicContact CB-CZ3 4.08Å; L483-W529 WeakPolarHBondContact O-CH2 3.16Å
484	N	31.8	Very low	31.4	Very low	103 Å²	103	103.2 Å²	103.2	55%	0.551	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	9	-174.5	-73.2	-34.5	0	0	0	117.9	D482 C486	D482-N484 VanDerWaalsContact C-N 3.29Å; D482-N484 PolarHBondContact O-N 2.78Å; N484-C486 PolarHBondContact O-N 3.21Å
485	W	35.2	Very low	32	Very low	77 Å²	77	102.9 Å²	102.9	29%	0.292	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	5.3	174.3	57.9	-94.2	0	0	0	113.9	L472 L483 Y512 L513 C516	L472-W485 HydrophobicContact CD2-CB 4.35Å; L472-W485 WeakPolarHBondContact CD2-O 3.48Å; L483-W485 HydrophobicContact CD2-CZ2 4.47Å; L483-W485 PolarHBondContact O-N 3.12Å; W485-Y512 HydrophobicContact CE3-CE1 4.32Å; W485-Y512 AromaticContact CH2-CD1 3.47Å; W485-Y512 HydrophobicContact CH2-CD1 3.47Å; W485-Y512 VanDerWaalsContact CH2-CD1 3.47Å; W485-Y512 AromaticContact CH2-CE1 3.39Å; W485-Y512 HydrophobicContact CH2-CE1 3.39Å; W485-Y512 HydrophobicContact CZ2-CE1 4.32Å; W485-Y512 AromaticContact CZ3-CD1 3.68Å; W485-Y512 HydrophobicContact CZ3-CD1 3.68Å; W485-Y512 AromaticContact CZ3-CE1 3.39Å; W485-Y512 HydrophobicContact CZ3-CE1 3.39Å; W485-L513 HydrophobicContact CH2-CD2 3.8Å; W485-L513 HydrophobicContact CZ2-CD2 4.24Å; W485-L513 HydrophobicContact CZ3-CD2 4.42Å; W485-C516 HydrophobicContact CH2-CB 4.39Å; W485-C516 HydrophobicContact CZ2-CB 3.65Å
486	C	32	Very low	32.6	Very low	28 Å²	28	101.8 Å²	101.8	19%	0.189	57%	0.574	C	S	.	*	S	Bend	trans	-98.2	113.2	-174.3	-60	0	0	0	0	110.5	N484 K488 L513 W529	N484-C486 PolarHBondContact O-N 3.21Å; C486-K488 PolarHBondContact O-N 3.42Å; C486-L513 HydrophobicContact CB-CD2 4.34Å; C486-L513 WeakPolarHBondContact SG-CD2 3.46Å; C486-W529 HydrophobicContact CB-CH2 3.6Å; C486-W529 HydrophobicContact CB-CZ2 3.89Å; C486-W529 WeakPolarHBondContact SG-CH2 3.31Å
487	A	34.4	Very low	33.1	Very low	35 Å²	35	100.9 Å²	100.9	29%	0.289	56%	0.564	S	S	.	*			trans	-48.5	102.8	-179.3	0	0	0	0	0	112.1	L471 F489	L471-A487 WeakPolarHBondContact O-CA 3.27Å; L471-A487 VanDerWaalsContact O-CB 3.28Å; L471-A487 WeakPolarHBondContact O-CB 3.49Å; A487-F489 VanDerWaalsContact C-N 3.26Å; A487-F489 PolarHBondContact O-N 3.01Å
488	K	26.9	Very low	33.7	Very low	165 Å²	165	102.7 Å²	102.7	72%	0.717	57%	0.565	S	S	*	*			trans	-80.5	77.7	-179.2	-167.9	-178.8	-178	-178.6	0	108.5	A473 C486 N490	A473-K488 HydrophobicContact CB-CB 3.73Å; C486-K488 PolarHBondContact O-N 3.42Å; K488-N490 PolarHBondContact O-N 2.88Å
489	F	34.7	Very low	34.3	Very low	44 Å²	44	104.3 Å²	104.3	19%	0.193	55%	0.554	C	S	.	*			trans	-56.5	92.4	-171.4	-126	-79.7	0	0	0	112.3	A469 L470 A487 T491 Y533	A469-F489 WeakPolarHBondContact O-CE2 3.43Å; A469-F489 WeakPolarHBondContact O-CZ 3.31Å; L470-F489 HydrophobicContact CD2-CE2 4.39Å; A487-F489 VanDerWaalsContact C-N 3.26Å; A487-F489 PolarHBondContact O-N 3.01Å; F489-T491 VanDerWaalsContact C-N 3.29Å; F489-T491 HydrophobicContact CD1-CG2 4.05Å; F489-T491 HydrophobicContact CE1-CG2 4.46Å; F489-T491 PolarHBondContact O-N 2.97Å; F489-Y533 PolarHBondContact O-OH 3.49Å
490	N	25.8	Very low	35.6	Very low	148 Å²	148	98.7 Å²	98.7	79%	0.791	53%	0.527	S	S	*	.			trans	-89	56.2	-168.4	-162.3	29.8	0	0	0	112.5	K488 N492	K488-N490 PolarHBondContact O-N 2.88Å; N490-N492 PolarHBondContact O-N 2.95Å
491	T	29.8	Very low	36.8	Very low	66 Å²	66	96 Å²	96	41%	0.405	50%	0.502	S	S	.	.			trans	-72.1	95.5	173.9	48.5	0	0	0	0	110.1	F489 I493	F489-T491 VanDerWaalsContact C-N 3.29Å; F489-T491 HydrophobicContact CD1-CG2 4.05Å; F489-T491 HydrophobicContact CE1-CG2 4.46Å; F489-T491 PolarHBondContact O-N 2.97Å; T491-I493 PolarHBondContact O-N 3.25Å
492	N	27.5	Very low	38.3	Very low	142 Å²	142	90 Å²	90	76%	0.759	47%	0.471	S	S	*	.			trans	-72.6	64.2	174.3	-170.6	17.8	0	0	0	111.5	N490	N490-N492 PolarHBondContact O-N 2.95Å
493	I	34	Very low	40	Very low	91 Å²	91	90 Å²	90	47%	0.467	48%	0.476	S	S	.	.			trans	-137.1	96.2	-174.2	-47.4	178.6	0	0	0	109.6	T491 S495 C496	T491-I493 PolarHBondContact O-N 3.25Å; I493-S495 PolarHBondContact O-N 3.01Å; I493-C496 HydrophobicContact CG2-CB 3.81Å
494	N	40.7	Very low	41.9	Very low	166 Å²	166	90.1 Å²	90.1	89%	0.888	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	5.5	-165.8	-77.7	-35.6	0	0	0	117.3
495	S	41	Very low	43.8	Very low	110 Å²	110	85.2 Å²	85.2	77%	0.769	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.5	-12.1	-176.8	58.7	0	0	0	0	116.5	I493	I493-S495 PolarHBondContact O-N 3.01Å
496	C	37.6	Very low	45.4	Very low	76 Å²	76	85 Å²	85	51%	0.514	45%	0.45	S	S	.	.			trans	-106.5	127.1	-164.4	-82.3	0	0	0	0	115.4	I493	I493-C496 HydrophobicContact CG2-CB 3.81Å
497	K	41.2	Very low	47.4	Very low	137 Å²	137	83.7 Å²	83.7	60%	0.596	44%	0.441	S	S	*	.			trans	67.4	100.6	152.8	-60.2	169	-173.3	165.4	0	117.9	D499	K497-D499 VanDerWaalsContact CA-OD2 3.25Å; K497-D499 WeakPolarHBondContact CA-OD2 3.43Å; K497-D499 HydrophobicContact CB-CB 4.46Å; K497-D499 PolarHBondContact O-N 3.22Å
498	K	41.4	Very low	49.4	Very low	172 Å²	172	82.1 Å²	82.1	75%	0.748	43%	0.428	S	S	*	.	S	Bend	trans	-80	12.7	156.7	-73.6	169.7	-177.9	155.6	0	111.8	R506	K498-R506 VanDerWaalsContact O-CZ 3.26Å; K498-R506 PolarHBondContact O-NH1 2.93Å; K498-R506 PolarHBondContact O-NH2 3.37Å
499	D	50	Low	51.6	Low	117 Å²	117	75.3 Å²	75.3	63%	0.626	40%	0.4	S	S	*	.			trans	-108.9	-7.4	-155.9	-40.9	-51.9	0	0	0	112.8	K497 W501	K497-D499 VanDerWaalsContact CA-OD2 3.25Å; K497-D499 WeakPolarHBondContact CA-OD2 3.43Å; K497-D499 HydrophobicContact CB-CB 4.46Å; K497-D499 PolarHBondContact O-N 3.22Å; D499-W501 PolarHBondContact O-N 3.4Å
500	L	53.5	Low	53.5	Low	44 Å²	44	73.2 Å²	73.2	23%	0.23	39%	0.391	C	S	.	.	S	Bend	trans	-66.9	-14	176	-74.4	165.8	0	0	0	114.7	G436 P438 I439	G436-L500 WeakPolarHBondContact O-CD2 3.23Å; P438-L500 WeakPolarHBondContact CA-O 3.22Å; I439-L500 PolarHBondContact N-O 2.81Å
501	W	54.3	Low	55.9	Low	47 Å²	47	67 Å²	67	18%	0.178	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-129.8	123.1	-175.9	-78.9	76.8	0	0	0	110.2	I439 D499 A505 R506 V509	I439-W501 HydrophobicContact CB-CD2 4.03Å; I439-W501 HydrophobicContact CB-CE3 4.01Å; I439-W501 HydrophobicContact CB-CZ3 4.25Å; I439-W501 HydrophobicContact CD1-CD2 4.27Å; I439-W501 HydrophobicContact CD1-CH2 3.79Å; I439-W501 HydrophobicContact CD1-CZ2 3.4Å; I439-W501 HydrophobicContact CD1-CZ3 4.37Å; I439-W501 HydrophobicContact CG2-CD2 4.31Å; I439-W501 HydrophobicContact CG2-CE3 3.79Å; I439-W501 HydrophobicContact CG2-CH2 4.06Å; I439-W501 HydrophobicContact CG2-CZ3 3.64Å; D499-W501 PolarHBondContact O-N 3.4Å; W501-A505 HydrophobicContact CE3-CB 3.78Å; W501-A505 HydrophobicContact CZ3-CB 4.19Å; W501-R506 HydrophobicContact CB-CG 3.83Å; W501-R506 HydrophobicContact CE3-CG 4.39Å; W501-R506 HydrophobicContact CG-CG 4.46Å; W501-R506 PolarHBondContact O-NH1 3.11Å; W501-V509 HydrophobicContact CH2-CG2 3.85Å; W501-V509 HydrophobicContact CZ3-CB 4.35Å; W501-V509 HydrophobicContact CZ3-CG2 3.58Å
502	S	65.7	Low	57.9	Low	32 Å²	32	64.1 Å²	64.1	22%	0.224	34%	0.338	C	S	.	.			trans	-60.5	150.9	172.8	87.8	0	0	0	0	110.7	I439 L504 A505 R506	I439-S502 PolarHBondContact O-N 3.33Å; S502-L504 PolarHBondContact O-N 2.81Å; S502-L504 PolarHBondContact OG-N 3.47Å; S502-A505 PolarHBondContact O-N 3.21Å; S502-A505 WeakPolarHBondContact OG-CB 3.44Å; S502-A505 PolarHBondContact OG-N 3.5Å; S502-R506 PolarHBondContact O-N 2.86Å; S502-R506 VanDerWaalsContact O-N 3.09Å
503	P	69	Low	59.8	Low	86 Å²	86	58.5 Å²	58.5	56%	0.558	31%	0.308	S	S	*	.	H	α-helix	trans	-56.5	-33.6	176	-25.7	35.1	0	0	0	112.6	A507	P503-A507 PolarHBondContact O-N 2.72Å; P503-A507 VanDerWaalsContact O-N 3.12Å
504	L	74	Confident	61.4	Low	7 Å²	7	55 Å²	55	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-73.2	-40.3	178.8	-172.8	58.9	0	0	0	112.1	C441 L460 S502 R506 A507 F508 I540 L613 L695 L696	C441-L504 HydrophobicContact CB-CD2 3.93Å; C441-L504 HydrophobicContact CB-CG 4.11Å; L460-L504 HydrophobicContact CD1-CD2 4.17Å; L460-L504 HydrophobicContact CD2-CD1 4.25Å; S502-L504 PolarHBondContact O-N 2.81Å; S502-L504 PolarHBondContact OG-N 3.47Å; L504-R506 VanDerWaalsContact C-N 3.34Å; L504-R506 PolarHBondContact O-N 3.1Å; L504-A507 CarbonylContact O-C 3.55Å; L504-A507 WeakPolarHBondContact O-CB 3.22Å; L504-A507 PolarHBondContact O-N 2.78Å; L504-A507 VanDerWaalsContact O-N 3.12Å; L504-F508 WeakPolarHBondContact O-CB 3.38Å; L504-F508 PolarHBondContact O-N 2.64Å; L504-I540 HydrophobicContact CD1-CD1 3.88Å; L504-I540 HydrophobicContact CD1-CG1 4.22Å; L504-I540 HydrophobicContact CD1-CG2 4.21Å; L504-L613 HydrophobicContact CD1-CB 4.4Å; L504-L613 HydrophobicContact CD1-CD1 4.19Å; L504-L613 HydrophobicContact CD2-CD1 3.61Å; L504-L695 HydrophobicContact CB-CD1 4.35Å; L504-L695 HydrophobicContact CD1-CD1 4.48Å; L504-L696 HydrophobicContact CD2-CD1 3.59Å; L504-L696 HydrophobicContact CD2-CG 4.07Å
505	A	71	Confident	62.7	Low	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-38	175.2	0	0	0	0	0	112.3	I439 C441 L462 W501 S502 A507 F508 V509	I439-A505 HydrophobicContact CG2-CB 3.93Å; I439-A505 WeakPolarHBondContact O-CB 3.43Å; C441-A505 WeakPolarHBondContact SG-CA 3.39Å; L462-A505 HydrophobicContact CD1-CB 3.96Å; W501-A505 HydrophobicContact CE3-CB 3.78Å; W501-A505 HydrophobicContact CZ3-CB 4.19Å; S502-A505 PolarHBondContact O-N 3.21Å; S502-A505 WeakPolarHBondContact OG-CB 3.44Å; S502-A505 PolarHBondContact OG-N 3.5Å; A505-A507 VanDerWaalsContact C-N 3.33Å; A505-F508 PolarHBondContact O-N 2.91Å; A505-V509 PolarHBondContact O-N 2.72Å
506	R	69	Low	63.8	Low	73 Å²	73	44.1 Å²	44.1	28%	0.275	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-42.2	170.3	-69	179.7	164.1	122.2	-6.9	111.9	K498 W501 S502 L504 S510	K498-R506 VanDerWaalsContact O-CZ 3.26Å; K498-R506 PolarHBondContact O-NH1 2.93Å; K498-R506 PolarHBondContact O-NH2 3.37Å; W501-R506 HydrophobicContact CB-CG 3.83Å; W501-R506 HydrophobicContact CE3-CG 4.39Å; W501-R506 HydrophobicContact CG-CG 4.46Å; W501-R506 PolarHBondContact O-NH1 3.11Å; S502-R506 PolarHBondContact O-N 2.86Å; S502-R506 VanDerWaalsContact O-N 3.09Å; L504-R506 VanDerWaalsContact C-N 3.34Å; L504-R506 PolarHBondContact O-N 3.1Å; R506-S510 WeakPolarHBondContact O-CB 3.43Å; R506-S510 PolarHBondContact O-N 3.41Å
507	A	74.5	Confident	65	Low	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-38.2	177	0	0	0	0	0	112.2	P503 L504 A505 S510 Y511 H538 I540	P503-A507 PolarHBondContact O-N 2.72Å; P503-A507 VanDerWaalsContact O-N 3.12Å; L504-A507 CarbonylContact O-C 3.55Å; L504-A507 WeakPolarHBondContact O-CB 3.22Å; L504-A507 PolarHBondContact O-N 2.78Å; L504-A507 VanDerWaalsContact O-N 3.12Å; A505-A507 VanDerWaalsContact C-N 3.33Å; A507-S510 WeakPolarHBondContact O-CB 3.43Å; A507-S510 PolarHBondContact O-N 2.79Å; A507-Y511 WeakPolarHBondContact O-CB 3.38Å; A507-Y511 PolarHBondContact O-N 3.08Å; A507-H538 HydrophobicContact CB-CB 3.68Å; A507-I540 HydrophobicContact CB-CD1 3.96Å; A507-I540 HydrophobicContact CB-CG1 3.88Å
508	F	76.6	Confident	66	Low	1 Å²	1	39.3 Å²	39.3	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-53.1	179.1	-174.3	-81.1	0	0	0	111.5	L460 L462 L504 A505 S510 Y511 Y512 I540 L580 V583 L585	L460-F508 HydrophobicContact CD2-CD2 4.01Å; L460-F508 HydrophobicContact CG-CD2 4.05Å; L460-F508 HydrophobicContact CG-CE2 4.22Å; L460-F508 WeakPolarHBondContact O-CE2 3.44Å; L462-F508 HydrophobicContact CB-CD1 4.43Å; L462-F508 HydrophobicContact CB-CE1 4.2Å; L462-F508 HydrophobicContact CD1-CD1 4.04Å; L462-F508 HydrophobicContact CD1-CG 4.41Å; L504-F508 WeakPolarHBondContact O-CB 3.38Å; L504-F508 PolarHBondContact O-N 2.64Å; A505-F508 PolarHBondContact O-N 2.91Å; F508-S510 VanDerWaalsContact C-N 3.31Å; F508-S510 PolarHBondContact O-N 3Å; F508-Y511 WeakPolarHBondContact O-CB 3.48Å; F508-Y511 PolarHBondContact O-N 3.06Å; F508-Y512 PolarHBondContact O-N 2.99Å; F508-I540 HydrophobicContact CB-CD1 4.21Å; F508-L580 HydrophobicContact CD1-CD1 4.29Å; F508-L580 HydrophobicContact CE1-CD1 4.01Å; F508-V583 HydrophobicContact CZ-CG1 4.42Å; F508-V583 WeakPolarHBondContact CZ-O 3.46Å; F508-L585 HydrophobicContact CD2-CD1 3.9Å; F508-L585 HydrophobicContact CD2-CG 4.02Å; F508-L585 HydrophobicContact CE2-CB 4.38Å; F508-L585 HydrophobicContact CE2-CD1 4.06Å; F508-L585 HydrophobicContact CE2-CG 3.64Å; F508-L585 HydrophobicContact CZ-CG 4.3Å
509	V	73	Confident	67.1	Low	23 Å²	23	37 Å²	37	14%	0.139	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-40.4	175.8	173.3	0	0	0	0	110.6	W501 A505 Y511 Y512 L513 L580	W501-V509 HydrophobicContact CH2-CG2 3.85Å; W501-V509 HydrophobicContact CZ3-CB 4.35Å; W501-V509 HydrophobicContact CZ3-CG2 3.58Å; A505-V509 PolarHBondContact O-N 2.72Å; V509-Y511 VanDerWaalsContact C-N 3.28Å; V509-Y511 PolarHBondContact O-N 2.97Å; V509-Y512 PolarHBondContact O-N 3.13Å; V509-L513 HydrophobicContact CG1-CD1 3.87Å; V509-L513 HydrophobicContact CG1-CG 4.19Å; V509-L513 WeakPolarHBondContact O-CB 3.49Å; V509-L513 WeakPolarHBondContact O-CG 3.47Å; V509-L513 PolarHBondContact O-N 2.85Å; V509-L580 HydrophobicContact CG2-CD1 4.08Å; V509-L580 HydrophobicContact CG2-CD2 3.93Å
510	S	73.3	Confident	67.6	Low	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-34.2	175.2	-176.6	0	0	0	0	114	R506 A507 F508 E514 P537 H538	R506-S510 WeakPolarHBondContact O-CB 3.43Å; R506-S510 PolarHBondContact O-N 3.41Å; A507-S510 WeakPolarHBondContact O-CB 3.43Å; A507-S510 PolarHBondContact O-N 2.79Å; F508-S510 VanDerWaalsContact C-N 3.31Å; F508-S510 PolarHBondContact O-N 3Å; S510-E514 PolarHBondContact O-N 2.97Å; S510-P537 WeakPolarHBondContact OG-CA 3.22Å; S510-H538 PolarHBondContact OG-N 2.66Å; S510-H538 PolarHBondContact OG-ND1 2.86Å
511	Y	76.1	Confident	67.7	Low	18 Å²	18	40.5 Å²	40.5	7%	0.071	19%	0.193	C	C	.	.	H	α-helix	trans	-71.9	-47.8	175.1	176.9	-79.8	0	0	0	110.6	A507 F508 V509 L513 E514 D515 R571 K572 L585	A507-Y511 WeakPolarHBondContact O-CB 3.38Å; A507-Y511 PolarHBondContact O-N 3.08Å; F508-Y511 WeakPolarHBondContact O-CB 3.48Å; F508-Y511 PolarHBondContact O-N 3.06Å; V509-Y511 VanDerWaalsContact C-N 3.28Å; V509-Y511 PolarHBondContact O-N 2.97Å; Y511-L513 VanDerWaalsContact C-N 3.34Å; Y511-L513 PolarHBondContact O-N 3.22Å; Y511-E514 WeakPolarHBondContact O-CB 3.45Å; Y511-E514 PolarHBondContact O-N 3.11Å; Y511-E514 VanDerWaalsContact O-N 3.09Å; Y511-D515 PolarHBondContact O-N 2.83Å; Y511-R571 WeakPolarHBondContact OH-CA 3.28Å; Y511-K572 HydrophobicContact CE1-CB 4.3Å; Y511-K572 PolarHBondContact OH-N 3.27Å; Y511-L585 HydrophobicContact CD1-CD1 4.07Å; Y511-L585 HydrophobicContact CD1-CD2 3.58Å; Y511-L585 HydrophobicContact CD1-CG 4.49Å; Y511-L585 HydrophobicContact CE1-CD2 3.5Å; Y511-L585 VanDerWaalsContact CE1-CD2 3.5Å; Y511-L585 HydrophobicContact CG-CD1 4.25Å
512	Y	72.9	Confident	67.7	Low	5 Å²	5	41.8 Å²	41.8	2%	0.02	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-40.5	-178.4	-176	-119.2	0	0	0	112.7	W485 F508 V509 E514 D515 C516 K572 K578 L580 V583	W485-Y512 HydrophobicContact CE3-CE1 4.32Å; W485-Y512 AromaticContact CH2-CD1 3.47Å; W485-Y512 HydrophobicContact CH2-CD1 3.47Å; W485-Y512 VanDerWaalsContact CH2-CD1 3.47Å; W485-Y512 AromaticContact CH2-CE1 3.39Å; W485-Y512 HydrophobicContact CH2-CE1 3.39Å; W485-Y512 HydrophobicContact CZ2-CE1 4.32Å; W485-Y512 AromaticContact CZ3-CD1 3.68Å; W485-Y512 HydrophobicContact CZ3-CD1 3.68Å; W485-Y512 AromaticContact CZ3-CE1 3.39Å; W485-Y512 HydrophobicContact CZ3-CE1 3.39Å; F508-Y512 PolarHBondContact O-N 2.99Å; V509-Y512 PolarHBondContact O-N 3.13Å; Y512-E514 VanDerWaalsContact C-N 3.35Å; Y512-E514 PolarHBondContact O-N 3.38Å; Y512-D515 PolarHBondContact O-N 2.87Å; Y512-C516 PolarHBondContact O-N 3.18Å; Y512-K572 HydrophobicContact CE2-CD 4.42Å; Y512-K578 PolarHBondContact OH-O 2.84Å; Y512-L580 HydrophobicContact CD1-CB 4.45Å; Y512-L580 HydrophobicContact CD1-CD1 3.58Å; Y512-L580 HydrophobicContact CE1-CB 4.15Å; Y512-L580 HydrophobicContact CE1-CD1 4.11Å; Y512-L580 HydrophobicContact CG-CD1 4.15Å; Y512-V583 HydrophobicContact CD2-CG1 3.96Å; Y512-V583 HydrophobicContact CD2-CG2 4.27Å; Y512-V583 HydrophobicContact CE2-CB 4.29Å; Y512-V583 HydrophobicContact CE2-CG1 4.07Å; Y512-V583 HydrophobicContact CE2-CG2 3.58Å
513	L	67.8	Low	66.9	Low	24 Å²	24	48.6 Å²	48.6	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-56.8	-46.5	171.5	-71.2	167.9	0	0	0	111.8	W485 C486 V509 Y511 D515 I517 W529	W485-L513 HydrophobicContact CH2-CD2 3.8Å; W485-L513 HydrophobicContact CZ2-CD2 4.24Å; W485-L513 HydrophobicContact CZ3-CD2 4.42Å; C486-L513 HydrophobicContact CB-CD2 4.34Å; C486-L513 WeakPolarHBondContact SG-CD2 3.46Å; V509-L513 HydrophobicContact CG1-CD1 3.87Å; V509-L513 HydrophobicContact CG1-CG 4.19Å; V509-L513 WeakPolarHBondContact O-CB 3.49Å; V509-L513 WeakPolarHBondContact O-CG 3.47Å; V509-L513 PolarHBondContact O-N 2.85Å; Y511-L513 VanDerWaalsContact C-N 3.34Å; Y511-L513 PolarHBondContact O-N 3.22Å; L513-D515 PolarHBondContact O-N 3.07Å; L513-I517 WeakPolarHBondContact O-CB 3.12Å; L513-I517 WeakPolarHBondContact O-CD1 3.14Å; L513-I517 WeakPolarHBondContact O-CG1 3.31Å; L513-I517 PolarHBondContact O-N 3.25Å; L513-W529 HydrophobicContact CD2-CH2 4.36Å; L513-W529 HydrophobicContact CD2-CZ3 4.06Å
514	E	67.5	Low	65.8	Low	18 Å²	18	50.1 Å²	50.1	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-39.1	-179.1	-153.1	-153.7	136.2	0	0	112.1	S510 Y511 Y512 R518 R539	S510-E514 PolarHBondContact O-N 2.97Å; Y511-E514 WeakPolarHBondContact O-CB 3.45Å; Y511-E514 PolarHBondContact O-N 3.11Å; Y511-E514 VanDerWaalsContact O-N 3.09Å; Y512-E514 VanDerWaalsContact C-N 3.35Å; Y512-E514 PolarHBondContact O-N 3.38Å; E514-R518 WeakPolarHBondContact O-CB 3.46Å; E514-R518 VanDerWaalsContact O-CG 3.26Å; E514-R518 WeakPolarHBondContact O-CG 3.24Å; E514-R518 PolarHBondContact O-N 3.4Å; E514-R518 IonicContact OE1-CZ 3.37Å; E514-R518 IonicContact OE1-NE 3.05Å; E514-R518 PolarHBondContact OE1-NE 2.9Å; E514-R518 IonicContact OE1-NH2 2.83Å; E514-R518 PolarHBondContact OE1-NH2 3.02Å; E514-R539 IonicContact OE1-CZ 3.37Å; E514-R539 IonicContact OE1-NH2 2.72Å; E514-R539 PolarHBondContact OE1-NH2 2.86Å; E514-R539 IonicContact OE2-CZ 2.77Å; E514-R539 IonicContact OE2-NE 3.9Å; E514-R539 PolarHBondContact OE2-NE 2.87Å; E514-R539 IonicContact OE2-NH2 3.84Å; E514-R539 PolarHBondContact OE2-NH2 2.83Å
515	D	67.5	Low	64.4	Low	32 Å²	32	53 Å²	53	17%	0.171	26%	0.264	C	S	.	.	H	α-helix	trans	-66.2	-49.1	177.3	-176.9	42.7	0	0	0	111.9	Y511 Y512 L513 I517 R518 Q519 K572	Y511-D515 PolarHBondContact O-N 2.83Å; Y512-D515 PolarHBondContact O-N 2.87Å; L513-D515 PolarHBondContact O-N 3.07Å; D515-I517 VanDerWaalsContact C-N 3.31Å; D515-I517 PolarHBondContact O-N 2.92Å; D515-R518 PolarHBondContact O-N 3.05Å; D515-Q519 WeakPolarHBondContact O-CG 3.32Å; D515-Q519 PolarHBondContact O-N 3.24Å; D515-Q519 PolarHBondContact OD1-NE2 2.94Å; D515-Q519 PolarHBondContact OD2-NE2 2.53Å; D515-K572 VanDerWaalsContact OD2-CD 3.31Å; D515-K572 WeakPolarHBondContact OD2-CD 3.24Å
516	C	64.9	Low	62.8	Low	15 Å²	15	60.3 Å²	60.3	10%	0.101	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-33.6	176.2	-71.4	0	0	0	0	113.3	W485 Y512 K520	W485-C516 HydrophobicContact CH2-CB 4.39Å; W485-C516 HydrophobicContact CZ2-CB 3.65Å; Y512-C516 PolarHBondContact O-N 3.18Å; C516-K520 PolarHBondContact O-N 2.99Å
517	I	61.5	Low	61.7	Low	24 Å²	24	60.1 Å²	60.1	12%	0.123	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-49.8	171.4	-77.8	167.1	0	0	0	110.6	L483 L513 D515 Q519 K520 F521 P525	L483-I517 HydrophobicContact CD1-CB 4.4Å; L483-I517 HydrophobicContact CD1-CG1 3.44Å; L483-I517 VanDerWaalsContact CD1-CG1 3.44Å; L513-I517 WeakPolarHBondContact O-CB 3.12Å; L513-I517 WeakPolarHBondContact O-CD1 3.14Å; L513-I517 WeakPolarHBondContact O-CG1 3.31Å; L513-I517 PolarHBondContact O-N 3.25Å; D515-I517 VanDerWaalsContact C-N 3.31Å; D515-I517 PolarHBondContact O-N 2.92Å; I517-Q519 VanDerWaalsContact C-N 3.31Å; I517-Q519 PolarHBondContact O-N 3.36Å; I517-K520 PolarHBondContact O-N 3.41Å; I517-F521 PolarHBondContact O-N 3.14Å; I517-P525 HydrophobicContact CG2-CG 3.49Å; I517-P525 VanDerWaalsContact CG2-CG 3.49Å
518	R	63.5	Low	59.9	Low	88 Å²	88	67 Å²	67	33%	0.332	36%	0.36	S	S	.	.	H	α-helix	trans	-59.1	-42.5	179.1	-75.9	167.2	176	-98.1	5.1	111.8	E514 D515 K520 G522	E514-R518 WeakPolarHBondContact O-CB 3.46Å; E514-R518 VanDerWaalsContact O-CG 3.26Å; E514-R518 WeakPolarHBondContact O-CG 3.24Å; E514-R518 PolarHBondContact O-N 3.4Å; E514-R518 IonicContact OE1-CZ 3.37Å; E514-R518 IonicContact OE1-NE 3.05Å; E514-R518 PolarHBondContact OE1-NE 2.9Å; E514-R518 IonicContact OE1-NH2 2.83Å; E514-R518 PolarHBondContact OE1-NH2 3.02Å; D515-R518 PolarHBondContact O-N 3.05Å; R518-K520 VanDerWaalsContact C-N 3.32Å; R518-K520 PolarHBondContact O-N 3.03Å; R518-G522 WeakPolarHBondContact O-CA 3.11Å; R518-G522 PolarHBondContact O-N 3.11Å
519	Q	63.9	Low	58.4	Low	123 Å²	123	72.8 Å²	72.8	58%	0.575	38%	0.382	S	S	*	.	H	α-helix	trans	-64.8	-31.5	178.1	-71.5	166.8	22.7	0	0	113.3	D515 I517	D515-Q519 WeakPolarHBondContact O-CG 3.32Å; D515-Q519 PolarHBondContact O-N 3.24Å; D515-Q519 PolarHBondContact OD1-NE2 2.94Å; D515-Q519 PolarHBondContact OD2-NE2 2.53Å; I517-Q519 VanDerWaalsContact C-N 3.31Å; I517-Q519 PolarHBondContact O-N 3.36Å
520	K	59.3	Low	56.9	Low	134 Å²	134	75 Å²	75	58%	0.583	39%	0.387	S	S	*	.	H	α-helix	trans	-84.5	-40.1	176.9	-75.8	-152.3	-176.1	-176.1	0	114.5	L483 C516 I517 R518	L483-K520 HydrophobicContact CD2-CD 3.61Å; L483-K520 VanDerWaalsContact CD2-CE 3.48Å; L483-K520 HydrophobicContact CD2-CG 4.19Å; L483-K520 HydrophobicContact CG-CD 4.09Å; C516-K520 PolarHBondContact O-N 2.99Å; I517-K520 PolarHBondContact O-N 3.41Å; R518-K520 VanDerWaalsContact C-N 3.32Å; R518-K520 PolarHBondContact O-N 3.03Å
521	F	57.2	Low	55.3	Low	101 Å²	101	80.3 Å²	80.3	44%	0.443	43%	0.425	S	S	.	.	H	α-helix	trans	-111.6	-11.6	-165.9	-69.6	-72.4	0	0	0	115.1	L483 I517 K523	L483-F521 HydrophobicContact CD1-CE2 3.96Å; I517-F521 PolarHBondContact O-N 3.14Å; F521-K523 PolarHBondContact O-N 2.58Å
522	G	54.3	Low	53.8	Low	73 Å²	73	81.7 Å²	81.7	75%	0.753	45%	0.445	S	S	*	.	S	Bend	trans	67.5	-24.8	176.5	0	0	0	0	0	116.3	R518	R518-G522 WeakPolarHBondContact O-CA 3.11Å; R518-G522 PolarHBondContact O-N 3.11Å
523	K	47.5	Very low	52.4	Low	175 Å²	175	89 Å²	89	76%	0.761	47%	0.473	S	S	*	.	S	Bend	trans	-118.3	160.7	174.5	-65.9	178.3	-179.6	175.2	0	109.8	F521 P525	F521-K523 PolarHBondContact O-N 2.58Å; K523-P525 WeakPolarHBondContact O-CD 3.24Å
524	Q	46.5	Very low	51.3	Low	118 Å²	118	89 Å²	89	55%	0.551	47%	0.474	S	S	*	.			trans	-67.6	125.7	170.7	-67.8	-173.1	-13.2	0	0	109.5	N526	Q524-N526 PolarHBondContact O-N 3.27Å
525	P	44.2	Very low	50.4	Low	68 Å²	68	95.9 Å²	95.9	44%	0.442	50%	0.504	S	S	.	.			trans	-71	129.3	172	29	-33.7	0	0	0	109.8	I517 K523 G527	I517-P525 HydrophobicContact CG2-CG 3.49Å; I517-P525 VanDerWaalsContact CG2-CG 3.49Å; K523-P525 WeakPolarHBondContact O-CD 3.24Å; P525-G527 PolarHBondContact O-N 3.27Å; P525-G527 VanDerWaalsContact O-N 3.1Å
526	N	38.7	Very low	49.9	Very low	153 Å²	153	97.2 Å²	97.2	82%	0.818	51%	0.509	S	S	*	.			trans	-72.7	103.7	178.8	-80.5	-25.2	0	0	0	110.9	Q524 I528	Q524-N526 PolarHBondContact O-N 3.27Å; N526-I528 VanDerWaalsContact C-N 3.31Å; N526-I528 PolarHBondContact O-N 3.33Å
527	G	44.6	Very low	50	Low	70 Å²	70	97.8 Å²	97.8	72%	0.722	51%	0.513	S	S	*	.	S	Bend	trans	78.5	-16.2	155	0	0	0	0	0	118.6	P525	P525-G527 PolarHBondContact O-N 3.27Å; P525-G527 VanDerWaalsContact O-N 3.1Å
528	I	37.8	Very low	50.6	Low	143 Å²	143	97.4 Å²	97.4	73%	0.733	51%	0.51	S	S	*	.			trans	-84.2	140.7	-174.2	-59.3	173.9	0	0	0	111.3	N526	N526-I528 VanDerWaalsContact C-N 3.31Å; N526-I528 PolarHBondContact O-N 3.33Å
529	W	45	Very low	51.5	Low	123 Å²	123	94.5 Å²	94.5	47%	0.466	50%	0.499	S	S	.	.	S	Bend	trans	89	-14.9	172.8	-154.2	36.1	0	0	0	120.7	L483 C486 L513 S531	L483-W529 HydrophobicContact CB-CH2 4.23Å; L483-W529 HydrophobicContact CB-CZ3 4.08Å; L483-W529 WeakPolarHBondContact O-CH2 3.16Å; C486-W529 HydrophobicContact CB-CH2 3.6Å; C486-W529 HydrophobicContact CB-CZ2 3.89Å; C486-W529 WeakPolarHBondContact SG-CH2 3.31Å; L513-W529 HydrophobicContact CD2-CH2 4.36Å; L513-W529 HydrophobicContact CD2-CZ3 4.06Å; W529-S531 PolarHBondContact O-N 2.74Å
530	W	40.6	Very low	52.4	Low	69 Å²	69	88.7 Å²	88.7	26%	0.261	47%	0.472	S	S	.	.			trans	-69.1	7.4	171.7	-59.8	110.4	0	0	0	114.6	G532 V534 K535 P537	W530-G532 VanDerWaalsContact C-N 3.33Å; W530-G532 PolarHBondContact O-N 3.06Å; W530-V534 CarbonylContact C-O 3.41Å; W530-V534 WeakPolarHBondContact CA-O 3.43Å; W530-V534 HydrophobicContact CE3-CB 4.06Å; W530-V534 HydrophobicContact CE3-CG1 3.84Å; W530-V534 HydrophobicContact CZ3-CB 4.02Å; W530-V534 HydrophobicContact CZ3-CG1 3.55Å; W530-V534 VanDerWaalsContact O-O 3.04Å; W530-K535 WeakPolarHBondContact CB-O 3.42Å; W530-P537 HydrophobicContact CH2-CB 3.73Å; W530-P537 HydrophobicContact CH2-CG 4.24Å; W530-P537 HydrophobicContact CZ2-CB 3.73Å; W530-P537 VanDerWaalsContact CZ2-CD 3.48Å; W530-P537 HydrophobicContact CZ2-CG 3.76Å
531	S	39.4	Very low	53.7	Low	113 Å²	113	83.8 Å²	83.8	79%	0.79	45%	0.451	S	S	*	.	S	Bend	trans	-82.4	66	-179.9	56.6	0	0	0	0	112.3	W529	W529-S531 PolarHBondContact O-N 2.74Å
532	G	45.4	Very low	55.1	Low	47 Å²	47	79 Å²	79	49%	0.485	43%	0.43	S	S	.	.	S	Bend	trans	-178.3	-106.7	177.3	0	0	0	0	0	113.5	W530	W530-G532 VanDerWaalsContact C-N 3.33Å; W530-G532 PolarHBondContact O-N 3.06Å
533	Y	43.4	Very low	56.7	Low	158 Å²	158	75.9 Å²	75.9	62%	0.62	40%	0.396	S	S	*	.	S	Bend	trans	-89.6	-37.9	-166.9	-71.6	-88	0	0	0	114.5	F489	F489-Y533 PolarHBondContact O-OH 3.49Å
534	V	45.2	Very low	58.6	Low	23 Å²	23	67.5 Å²	67.5	14%	0.139	36%	0.36	C	S	.	.			trans	-114	128	170	-174.8	0	0	0	0	106.8	W530 Q536	W530-V534 CarbonylContact C-O 3.41Å; W530-V534 WeakPolarHBondContact CA-O 3.43Å; W530-V534 HydrophobicContact CE3-CB 4.06Å; W530-V534 HydrophobicContact CE3-CG1 3.84Å; W530-V534 HydrophobicContact CZ3-CB 4.02Å; W530-V534 HydrophobicContact CZ3-CG1 3.55Å; W530-V534 VanDerWaalsContact O-O 3.04Å; V534-Q536 WeakPolarHBondContact CG1-O 3.32Å
535	K	48.1	Very low	60.4	Low	164 Å²	164	62.5 Å²	62.5	71%	0.713	34%	0.336	S	S	*	.			trans	-93.6	-18.4	-178.5	-67.5	-160.1	173.7	-162.8	0	114.4	W530	W530-K535 WeakPolarHBondContact CB-O 3.42Å
536	Q	57	Low	62.5	Low	60 Å²	60	59.9 Å²	59.9	28%	0.28	32%	0.317	S	S	.	.	S	Bend	trans	-157.3	146.5	-168.2	-57.1	-173.6	-72.9	0	0	109.5	V534 H538	V534-Q536 WeakPolarHBondContact CG1-O 3.32Å; Q536-H538 PolarHBondContact O-CE1 3.24Å; Q536-H538 PolarHBondContact O-ND1 2.94Å
537	P	67.3	Low	64.7	Low	27 Å²	27	53.1 Å²	53.1	18%	0.175	28%	0.282	C	S	.	.			trans	-63.2	148.3	178.1	17	-19.9	0	0	0	111.7	S510 W530 L618	S510-P537 WeakPolarHBondContact OG-CA 3.22Å; W530-P537 HydrophobicContact CH2-CB 3.73Å; W530-P537 HydrophobicContact CH2-CG 4.24Å; W530-P537 HydrophobicContact CZ2-CB 3.73Å; W530-P537 VanDerWaalsContact CZ2-CD 3.48Å; W530-P537 HydrophobicContact CZ2-CG 3.76Å; P537-L618 HydrophobicContact CB-CD1 4.05Å; P537-L618 HydrophobicContact CB-CG 4.45Å; P537-L618 HydrophobicContact CG-CB 4.05Å; P537-L618 HydrophobicContact CG-CD1 3.97Å; P537-L618 HydrophobicContact CG-CG 4.38Å; P537-L618 WeakPolarHBondContact O-CB 3.26Å; P537-L618 WeakPolarHBondContact O-CG 3.41Å; P537-L618 PolarHBondContact O-N 2.78Å
538	H	74.3	Confident	66.6	Low	15 Å²	15	49.8 Å²	49.8	7%	0.069	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.6	176.7	-63.7	58.7	0	0	0	110.3	A507 S510 Q536 F616 K617	A507-H538 HydrophobicContact CB-CB 3.68Å; S510-H538 PolarHBondContact OG-N 2.66Å; S510-H538 PolarHBondContact OG-ND1 2.86Å; Q536-H538 PolarHBondContact O-CE1 3.24Å; Q536-H538 PolarHBondContact O-ND1 2.94Å; H538-F616 CarbonylContact C-O 3.43Å; H538-F616 WeakPolarHBondContact CA-O 3.38Å; H538-K617 WeakPolarHBondContact NE2-CE 3.4Å; H538-K617 VanDerWaalsContact NE2-CG 3.26Å; H538-K617 WeakPolarHBondContact NE2-CG 3.47Å
539	R	81.2	Confident	68.9	Low	28 Å²	28	43.9 Å²	43.9	11%	0.106	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.7	170.5	-63.8	-59.4	-179.5	122.9	-13.1	110.2	E514 F541 E569 S615 F616 L618	E514-R539 IonicContact OE1-CZ 3.37Å; E514-R539 IonicContact OE1-NH2 2.72Å; E514-R539 PolarHBondContact OE1-NH2 2.86Å; E514-R539 IonicContact OE2-CZ 2.77Å; E514-R539 IonicContact OE2-NE 3.9Å; E514-R539 PolarHBondContact OE2-NE 2.87Å; E514-R539 IonicContact OE2-NH2 3.84Å; E514-R539 PolarHBondContact OE2-NH2 2.83Å; R539-F541 HydrophobicContact CB-CD2 4.46Å; R539-F541 HydrophobicContact CB-CE2 3.75Å; R539-E569 IonicContact CZ-OE1 3.8Å; R539-E569 IonicContact NE-OE1 2.78Å; R539-E569 IonicContact NH1-OE1 3.58Å; R539-E569 PolarHBondContact NH1-OE1 2.8Å; R539-S615 WeakPolarHBondContact O-CA 3.06Å; R539-F616 PolarHBondContact N-O 2.99Å; R539-F616 PolarHBondContact O-N 3.19Å; R539-L618 HydrophobicContact CG-CD1 4.13Å; R539-L618 HydrophobicContact CG-CD2 4.19Å; R539-L618 HydrophobicContact CG-CG 4.37Å
540	I	83.9	Confident	70.9	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.4	-176.2	-62.5	173.3	0	0	0	108.1	L460 L504 A507 F508 M570 L585 L613	L460-I540 HydrophobicContact CD2-CD1 3.94Å; L460-I540 HydrophobicContact CD2-CG2 4.05Å; L504-I540 HydrophobicContact CD1-CD1 3.88Å; L504-I540 HydrophobicContact CD1-CG1 4.22Å; L504-I540 HydrophobicContact CD1-CG2 4.21Å; A507-I540 HydrophobicContact CB-CD1 3.96Å; A507-I540 HydrophobicContact CB-CG1 3.88Å; F508-I540 HydrophobicContact CB-CD1 4.21Å; I540-M570 HydrophobicContact CG2-CB 4.41Å; I540-M570 HydrophobicContact CG2-CG 4.12Å; I540-M570 HydrophobicContact CG2-SD 4.04Å; I540-M570 PolarHBondContact O-N 3.24Å; I540-L585 HydrophobicContact CD1-CD1 4.04Å; I540-L613 HydrophobicContact CG2-CD2 3.94Å
541	F	85.3	Confident	73	Confident	32 Å²	32	38.4 Å²	38.4	14%	0.14	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.9	178.2	-71.1	-99.9	0	0	0	109.8	R539 G568 E569 L613 V614 F616	R539-F541 HydrophobicContact CB-CD2 4.46Å; R539-F541 HydrophobicContact CB-CE2 3.75Å; F541-G568 CarbonylContact C-O 3.4Å; F541-G568 VanDerWaalsContact CA-O 3.25Å; F541-G568 WeakPolarHBondContact CA-O 3.45Å; F541-E569 HydrophobicContact CD1-CB 4.11Å; F541-E569 HydrophobicContact CE1-CB 3.76Å; F541-E569 HydrophobicContact CE1-CG 4.38Å; F541-E569 HydrophobicContact CZ-CB 4.19Å; F541-E569 HydrophobicContact CZ-CG 4.33Å; F541-L613 WeakPolarHBondContact O-CA 3.45Å; F541-V614 PolarHBondContact N-O 2.84Å; F541-V614 PolarHBondContact O-N 2.89Å; F541-F616 HydrophobicContact CB-CE2 4.5Å; F541-F616 AromaticContact CD2-CD2 3.49Å; F541-F616 HydrophobicContact CD2-CD2 3.49Å; F541-F616 VanDerWaalsContact CD2-CD2 3.49Å; F541-F616 AromaticContact CD2-CE2 3.67Å; F541-F616 HydrophobicContact CD2-CE2 3.67Å; F541-F616 AromaticContact CE2-CD2 3.7Å; F541-F616 HydrophobicContact CE2-CD2 3.7Å; F541-F616 HydrophobicContact CE2-CE2 4.14Å; F541-F616 HydrophobicContact CG-CD2 4.42Å; F541-F616 HydrophobicContact CG-CE2 4.17Å
542	L	88.4	Confident	75.1	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.9	165.7	-169.1	79.3	0	0	0	108.5	L443 A458 S567 G568 M570 H587 F589 L611 L613	L443-L542 HydrophobicContact CD1-CD1 4.11Å; L443-L542 HydrophobicContact CD2-CD1 4.38Å; A458-L542 HydrophobicContact CB-CD1 3.81Å; A458-L542 HydrophobicContact CB-CD2 3.54Å; A458-L542 HydrophobicContact CB-CG 4.33Å; L542-S567 CarbonylContact O-C 3.6Å; L542-S567 WeakPolarHBondContact O-CA 3.47Å; L542-G568 PolarHBondContact N-O 2.99Å; L542-G568 PolarHBondContact O-N 3.06Å; L542-M570 HydrophobicContact CB-CG 4.16Å; L542-H587 HydrophobicContact CD2-CB 4.29Å; L542-F589 HydrophobicContact CD2-CD1 4.26Å; L542-F589 HydrophobicContact CD2-CE1 3.68Å; L542-L611 HydrophobicContact CD1-CD1 4.26Å; L542-L611 HydrophobicContact CD1-CD2 3.96Å; L542-L611 HydrophobicContact CD1-CG 3.92Å; L542-L611 HydrophobicContact CD2-CD1 3.97Å; L542-L611 HydrophobicContact CD2-CD2 4.21Å; L542-L611 HydrophobicContact CD2-CG 4.39Å; L542-L611 HydrophobicContact CG-CD1 3.89Å; L542-L611 HydrophobicContact CG-CD2 4.35Å; L542-L611 HydrophobicContact CG-CG 4.13Å; L542-L613 HydrophobicContact CB-CD2 4.35Å; L542-L613 HydrophobicContact CD1-CD2 3.7Å
543	V	86.5	Confident	76.8	Confident	7 Å²	7	40.9 Å²	40.9	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.1	-177.5	179.9	0	0	0	0	109.2	D564 Y566 L611 G612 V614 L694	V543-D564 HydrophobicContact CG1-CB 3.89Å; V543-D564 VanDerWaalsContact CG1-CG 3.47Å; V543-D564 WeakPolarHBondContact CG1-OD1 3.34Å; V543-Y566 WeakPolarHBondContact CA-O 3.42Å; V543-L611 WeakPolarHBondContact O-CA 3.41Å; V543-G612 PolarHBondContact N-O 3.08Å; V543-G612 PolarHBondContact O-N 3.46Å; V543-V614 HydrophobicContact CG2-CB 4.43Å; V543-V614 HydrophobicContact CG2-CG2 3.85Å; V543-L694 HydrophobicContact CB-CD2 4.01Å; V543-L694 HydrophobicContact CG1-CD2 4.25Å
544	L	87.8	Confident	78.6	Confident	0 Å²	0	36 Å²	36	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	112.9	167	-178.1	65.9	0	0	0	107.9	V565 Y566 F589 L594 L611 I700	L544-V565 HydrophobicContact CD2-CG1 4.37Å; L544-V565 PolarHBondContact O-N 3.15Å; L544-Y566 PolarHBondContact N-O 2.95Å; L544-Y566 PolarHBondContact O-N 3.34Å; L544-F589 HydrophobicContact CD2-CE2 4.41Å; L544-L594 HydrophobicContact CD2-CD1 4.15Å; L544-L611 HydrophobicContact CB-CD1 3.93Å; L544-L611 HydrophobicContact CD1-CB 4.32Å; L544-L611 HydrophobicContact CD1-CD1 4.04Å; L544-I700 HydrophobicContact CD1-CD1 4.2Å
545	R	84.7	Confident	80.3	Confident	13 Å²	13	40.4 Å²	40.4	5%	0.049	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.1	179.3	-178.9	171	-71.6	174.4	12.3	110.6	V547 E562 R563 D564 Y609 N610 H691 H692 L694	R545-V547 HydrophobicContact CG-CG2 4.41Å; R545-E562 VanDerWaalsContact CD-OE2 3.24Å; R545-E562 WeakPolarHBondContact CD-OE2 3.49Å; R545-E562 HydrophobicContact CG-CB 4.34Å; R545-E562 IonicContact CZ-OE2 2.7Å; R545-E562 IonicContact NE-OE2 3.16Å; R545-E562 IonicContact NH1-OE2 3.76Å; R545-E562 PolarHBondContact NH1-OE2 2.78Å; R545-R563 CarbonylContact C-O 2.92Å; R545-R563 WeakPolarHBondContact CA-O 3.41Å; R545-D564 IonicContact CZ-OD1 3.52Å; R545-D564 IonicContact NE-OD1 3.95Å; R545-D564 PolarHBondContact NE-OD1 3.21Å; R545-D564 IonicContact NH2-OD1 2.76Å; R545-D564 PolarHBondContact NH2-OD1 2.9Å; R545-D564 VanDerWaalsContact NH2-OD1 3.14Å; R545-D564 IonicContact NH2-OD2 3.64Å; R545-Y609 WeakPolarHBondContact O-CA 3.12Å; R545-N610 PolarHBondContact N-O 3.11Å; R545-N610 PolarHBondContact O-N 2.87Å; R545-H691 PolarHBondContact NH2-O 3.09Å; R545-H692 PolarHBondContact NH1-O 3.42Å; R545-L694 HydrophobicContact CB-CD1 3.91Å
546	Q	87.4	Confident	81.9	Confident	12 Å²	12	41.2 Å²	41.2	6%	0.056	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130.9	164	-177.2	178.6	64.2	0	0	108.9	I548 E562 R563 V565 V607 A608 Y609	Q546-I548 HydrophobicContact CG-CG1 3.98Å; Q546-E562 WeakPolarHBondContact O-CA 3.3Å; Q546-R563 HydrophobicContact CB-CB 4.5Å; Q546-R563 PolarHBondContact N-O 3.02Å; Q546-R563 PolarHBondContact O-N 2.94Å; Q546-V565 HydrophobicContact CB-CG2 3.59Å; Q546-V607 HydrophobicContact CG-CG1 3.95Å; Q546-A608 WeakPolarHBondContact CA-O 3.29Å; Q546-Y609 HydrophobicContact CB-CD1 3.96Å; Q546-Y609 HydrophobicContact CB-CE1 3.68Å; Q546-Y609 HydrophobicContact CG-CD1 4.26Å; Q546-Y609 HydrophobicContact CG-CE1 3.66Å; Q546-Y609 PolarHBondContact NE2-OH 2.99Å
547	V	85.3	Confident	83.1	Confident	12 Å²	12	42.5 Å²	42.5	7%	0.073	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.3	171.7	-172	0	0	0	0	107.1	R545 Q560 E562 V607 A608	R545-V547 HydrophobicContact CG-CG2 4.41Å; V547-Q560 HydrophobicContact CG1-CG 3.67Å; V547-E562 HydrophobicContact CG1-CG 4.32Å; V547-E562 HydrophobicContact CG2-CG 4.26Å; V547-V607 WeakPolarHBondContact O-CA 3.41Å; V547-A608 HydrophobicContact CB-CB 4.5Å; V547-A608 PolarHBondContact N-O 2.72Å; V547-A608 PolarHBondContact O-N 3.12Å
548	I	85.1	Confident	83.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.3	178.4	-49	159.9	0	0	0	107.1	F184 Q546 Y550 Q560 E561 I605 D606 V607	F184-I548 HydrophobicContact CE1-CG2 3.96Å; F184-I548 HydrophobicContact CZ-CD1 3.86Å; F184-I548 HydrophobicContact CZ-CG1 4Å; F184-I548 HydrophobicContact CZ-CG2 3.83Å; Q546-I548 HydrophobicContact CG-CG1 3.98Å; I548-Y550 HydrophobicContact CB-CE2 4.14Å; I548-Y550 HydrophobicContact CG2-CD2 4.37Å; I548-Y550 HydrophobicContact CG2-CE1 3.95Å; I548-Y550 HydrophobicContact CG2-CE2 3.76Å; I548-Q560 CarbonylContact O-C 3.53Å; I548-Q560 WeakPolarHBondContact O-CA 3.35Å; I548-E561 HydrophobicContact CB-CB 4.36Å; I548-E561 HydrophobicContact CD1-CB 4.47Å; I548-E561 HydrophobicContact CD1-CG 4.39Å; I548-E561 PolarHBondContact N-O 2.7Å; I548-E561 PolarHBondContact O-N 2.79Å; I548-I605 HydrophobicContact CG2-CG2 3.97Å; I548-D606 CarbonylContact C-O 3.52Å; I548-D606 WeakPolarHBondContact CA-O 3.39Å; I548-V607 HydrophobicContact CG2-CG2 4.34Å
549	T	86.2	Confident	83.6	Confident	18 Å²	18	43.9 Å²	43.9	11%	0.11	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.1	170.9	73.6	0	0	0	0	109.9	I605 D606	T549-I605 WeakPolarHBondContact O-CA 3.25Å; T549-D606 PolarHBondContact N-O 2.76Å; T549-D606 PolarHBondContact O-N 2.83Å; T549-D606 WeakPolarHBondContact OG1-CB 3.35Å; T549-D606 PolarHBondContact OG1-OD2 2.9Å
550	Y	85.6	Confident	83.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129	177.2	-56.8	-90.1	0	0	0	108.3	V67 G186 S187 R188 I548 V557 I558 A559 E561 I605	V67-Y550 HydrophobicContact CG1-CD1 4.3Å; G186-Y550 WeakPolarHBondContact CA-OH 3.42Å; S187-Y550 PolarHBondContact N-OH 3.13Å; R188-Y550 HydrophobicContact CB-CD1 3.96Å; R188-Y550 HydrophobicContact CB-CD2 4.16Å; R188-Y550 HydrophobicContact CB-CE1 3.9Å; R188-Y550 HydrophobicContact CB-CE2 4.1Å; R188-Y550 HydrophobicContact CB-CG 4.08Å; R188-Y550 PolarHBondContact N-OH 3.48Å; I548-Y550 HydrophobicContact CB-CE2 4.14Å; I548-Y550 HydrophobicContact CG2-CD2 4.37Å; I548-Y550 HydrophobicContact CG2-CE1 3.95Å; I548-Y550 HydrophobicContact CG2-CE2 3.76Å; Y550-V557 WeakPolarHBondContact O-CA 3.27Å; Y550-I558 VanDerWaalsContact O-CG1 3.27Å; Y550-I558 WeakPolarHBondContact O-CG1 3.33Å; Y550-I558 PolarHBondContact O-N 3.04Å; Y550-A559 HydrophobicContact CD2-CB 3.94Å; Y550-A559 PolarHBondContact N-O 3.22Å; Y550-A559 PolarHBondContact O-N 3.26Å; Y550-E561 HydrophobicContact CE2-CB 3.84Å; Y550-E561 PolarHBondContact OH-OE2 2.91Å; Y550-I605 HydrophobicContact CD1-CG1 4.18Å; Y550-I605 HydrophobicContact CE1-CG2 4.5Å
551	R	84.7	Confident	83.3	Confident	77 Å²	77	48 Å²	48	29%	0.291	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.5	-172.2	-46	-171.4	-168.6	-169.7	5.4	110.9	N140 R556 V557 S603 C604 D606	N140-R551 WeakPolarHBondContact CB-O 3.4Å; N140-R551 PolarHBondContact ND2-O 2.8Å; R551-R556 VanDerWaalsContact CA-O 3.26Å; R551-R556 WeakPolarHBondContact CA-O 3.49Å; R551-V557 HydrophobicContact CG-CG2 4.49Å; R551-S603 WeakPolarHBondContact CD-O 3.32Å; R551-C604 PolarHBondContact N-O 3.04Å; R551-D606 IonicContact CZ-OD2 2.8Å; R551-D606 IonicContact NH2-OD2 3.23Å; R551-D606 PolarHBondContact NH2-OD2 3.21Å
552	D	84	Confident	83.1	Confident	22 Å²	22	50.1 Å²	50.1	12%	0.118	23%	0.23	C	C	.	.			trans	-73.9	177.5	171.7	63.2	28.4	0	0	0	111.9	V139 N140 T554 H555 R556 I558	V139-D552 HydrophobicContact CG1-CB 3.69Å; N140-D552 VanDerWaalsContact ND2-C 3.29Å; N140-D552 PolarHBondContact ND2-O 3.01Å; N140-D552 VanDerWaalsContact ND2-O 3.12Å; D552-T554 PolarHBondContact O-N 2.76Å; D552-T554 VanDerWaalsContact O-N 3.13Å; D552-T554 VanDerWaalsContact OD1-C 3.3Å; D552-T554 VanDerWaalsContact OD1-CA 3.25Å; D552-T554 WeakPolarHBondContact OD1-CA 3.25Å; D552-T554 WeakPolarHBondContact OD1-CB 3.44Å; D552-T554 PolarHBondContact OD1-N 2.85Å; D552-T554 PolarHBondContact OD1-OG1 2.9Å; D552-T554 PolarHBondContact OD2-OG1 2.89Å; D552-H555 WeakPolarHBondContact O-CA 3.47Å; D552-H555 PolarHBondContact O-N 2.55Å; D552-H555 PolarHBondContact OD1-N 3Å; D552-R556 PolarHBondContact N-O 3.47Å; D552-R556 PolarHBondContact OD1-N 2.83Å; D552-I558 HydrophobicContact CB-CD1 4.14Å; D552-I558 HydrophobicContact CB-CG1 4.48Å; D552-I558 HydrophobicContact CB-CG2 3.92Å
553	W	82.5	Confident	82.7	Confident	191 Å²	191	53.3 Å²	53.3	72%	0.723	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.1	175.9	64.6	-93.1	0	0	0	114.3	V139	V139-W553 PolarHBondContact O-N 3.42Å
554	T	80.9	Confident	82.6	Confident	55 Å²	55	56.6 Å²	56.6	34%	0.337	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	12.5	169.6	72.8	0	0	0	0	112.5	D552 R556	D552-T554 PolarHBondContact O-N 2.76Å; D552-T554 VanDerWaalsContact O-N 3.13Å; D552-T554 VanDerWaalsContact OD1-C 3.3Å; D552-T554 VanDerWaalsContact OD1-CA 3.25Å; D552-T554 WeakPolarHBondContact OD1-CA 3.25Å; D552-T554 WeakPolarHBondContact OD1-CB 3.44Å; D552-T554 PolarHBondContact OD1-N 2.85Å; D552-T554 PolarHBondContact OD1-OG1 2.9Å; D552-T554 PolarHBondContact OD2-OG1 2.89Å; T554-R556 PolarHBondContact O-N 2.87Å; T554-R556 VanDerWaalsContact O-N 3.15Å; T554-R556 VanDerWaalsContact OG1-CD 3.26Å; T554-R556 WeakPolarHBondContact OG1-CD 3.32Å; T554-R556 VanDerWaalsContact OG1-CG 3.28Å; T554-R556 WeakPolarHBondContact OG1-CG 3.24Å
555	H	80.6	Confident	82.4	Confident	115 Å²	115	58.8 Å²	58.8	53%	0.532	27%	0.273	S	S	.	.			trans	57.4	13.9	-172.3	-51.7	-76.1	0	0	0	115.4	D552 S603	D552-H555 WeakPolarHBondContact O-CA 3.47Å; D552-H555 PolarHBondContact O-N 2.55Å; D552-H555 PolarHBondContact OD1-N 3Å; H555-S603 PolarHBondContact CE1-OG 3.37Å; H555-S603 PolarHBondContact ND1-OG 2.95Å
556	R	80.5	Confident	82.5	Confident	182 Å²	182	61.3 Å²	61.3	69%	0.687	28%	0.283	S	S	*	.			trans	-77.9	138.8	177.2	-65.6	174.1	-179.3	-164	-2	110.3	R551 D552 T554 I558	R551-R556 VanDerWaalsContact CA-O 3.26Å; R551-R556 WeakPolarHBondContact CA-O 3.49Å; D552-R556 PolarHBondContact N-O 3.47Å; D552-R556 PolarHBondContact OD1-N 2.83Å; T554-R556 PolarHBondContact O-N 2.87Å; T554-R556 VanDerWaalsContact O-N 3.15Å; T554-R556 VanDerWaalsContact OG1-CD 3.26Å; T554-R556 WeakPolarHBondContact OG1-CD 3.32Å; T554-R556 VanDerWaalsContact OG1-CG 3.28Å; T554-R556 WeakPolarHBondContact OG1-CG 3.24Å; R556-I558 PolarHBondContact O-N 2.61Å
557	V	82.8	Confident	82.3	Confident	86 Å²	86	63.9 Å²	63.9	52%	0.521	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	101.8	179.9	-177.7	0	0	0	0	110	Y550 R551	Y550-V557 WeakPolarHBondContact O-CA 3.27Å; R551-V557 HydrophobicContact CG-CG2 4.49Å
558	I	75.6	Confident	82.3	Confident	61 Å²	61	63.3 Å²	63.3	31%	0.313	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-20.2	177.3	44	171	0	0	0	112.8	V67 T69 V139 Y550 D552 R556	V67-I558 HydrophobicContact CG1-CD1 3.7Å; T69-I558 HydrophobicContact CG2-CD1 3.88Å; V139-I558 HydrophobicContact CB-CD1 4.08Å; V139-I558 HydrophobicContact CG1-CD1 4.06Å; Y550-I558 VanDerWaalsContact O-CG1 3.27Å; Y550-I558 WeakPolarHBondContact O-CG1 3.33Å; Y550-I558 PolarHBondContact O-N 3.04Å; D552-I558 HydrophobicContact CB-CD1 4.14Å; D552-I558 HydrophobicContact CB-CG1 4.48Å; D552-I558 HydrophobicContact CB-CG2 3.92Å; R556-I558 PolarHBondContact O-N 2.61Å
559	A	76.3	Confident	82.2	Confident	11 Å²	11	64 Å²	64	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	150.1	169.4	0	0	0	0	0	112.7	R188 Y550	R188-A559 VanDerWaalsContact CD-CB 3.44Å; Y550-A559 HydrophobicContact CD2-CB 3.94Å; Y550-A559 PolarHBondContact N-O 3.22Å; Y550-A559 PolarHBondContact O-N 3.26Å
560	Q	80.9	Confident	82.1	Confident	105 Å²	105	63.1 Å²	63.1	49%	0.491	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	140.7	160.7	-176.9	165.4	-48.1	0	0	108.4	V547 I548 E562	V547-Q560 HydrophobicContact CG1-CG 3.67Å; I548-Q560 CarbonylContact O-C 3.53Å; I548-Q560 WeakPolarHBondContact O-CA 3.35Å; Q560-E562 PolarHBondContact NE2-OE1 2.84Å
561	E	78.5	Confident	81.9	Confident	9 Å²	9	69.6 Å²	69.6	4%	0.042	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.4	172.6	178	179.7	-171.5	0	0	109.5	S187 I548 Y550 R563	S187-E561 WeakPolarHBondContact CB-OE1 3.4Å; S187-E561 WeakPolarHBondContact CB-OE2 3.43Å; S187-E561 PolarHBondContact N-OE2 2.57Å; S187-E561 VanDerWaalsContact N-OE2 3.11Å; S187-E561 PolarHBondContact OG-OE1 3.47Å; S187-E561 PolarHBondContact OG-OE2 3.47Å; I548-E561 HydrophobicContact CB-CB 4.36Å; I548-E561 HydrophobicContact CD1-CB 4.47Å; I548-E561 HydrophobicContact CD1-CG 4.39Å; I548-E561 PolarHBondContact N-O 2.7Å; I548-E561 PolarHBondContact O-N 2.79Å; Y550-E561 HydrophobicContact CE2-CB 3.84Å; Y550-E561 PolarHBondContact OH-OE2 2.91Å; E561-R563 HydrophobicContact CG-CG 4.31Å; E561-R563 IonicContact OE1-CZ 3.17Å; E561-R563 IonicContact OE1-NE 3.96Å; E561-R563 PolarHBondContact OE1-NE 3.36Å; E561-R563 IonicContact OE1-NH2 2.77Å; E561-R563 PolarHBondContact OE1-NH2 2.99Å; E561-R563 IonicContact OE2-CZ 3.72Å; E561-R563 IonicContact OE2-NH2 2.72Å; E561-R563 PolarHBondContact OE2-NH2 3.22Å
562	E	82	Confident	81.6	Confident	77 Å²	77	67.6 Å²	67.6	36%	0.36	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.6	177.8	-74.9	-179.7	-151	0	0	110.3	R545 Q546 V547 Q560	R545-E562 VanDerWaalsContact CD-OE2 3.24Å; R545-E562 WeakPolarHBondContact CD-OE2 3.49Å; R545-E562 HydrophobicContact CG-CB 4.34Å; R545-E562 IonicContact CZ-OE2 2.7Å; R545-E562 IonicContact NE-OE2 3.16Å; R545-E562 IonicContact NH1-OE2 3.76Å; R545-E562 PolarHBondContact NH1-OE2 2.78Å; Q546-E562 WeakPolarHBondContact O-CA 3.3Å; V547-E562 HydrophobicContact CG1-CG 4.32Å; V547-E562 HydrophobicContact CG2-CG 4.26Å; Q560-E562 PolarHBondContact NE2-OE1 2.84Å
563	R	79.7	Confident	81.1	Confident	67 Å²	67	72.7 Å²	72.7	25%	0.253	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	119.6	178.5	-64	178.5	179.1	170.7	2.4	109.5	R545 Q546 E561 V565	R545-R563 CarbonylContact C-O 2.92Å; R545-R563 WeakPolarHBondContact CA-O 3.41Å; Q546-R563 HydrophobicContact CB-CB 4.5Å; Q546-R563 PolarHBondContact N-O 3.02Å; Q546-R563 PolarHBondContact O-N 2.94Å; E561-R563 HydrophobicContact CG-CG 4.31Å; E561-R563 IonicContact OE1-CZ 3.17Å; E561-R563 IonicContact OE1-NE 3.96Å; E561-R563 PolarHBondContact OE1-NE 3.36Å; E561-R563 IonicContact OE1-NH2 2.77Å; E561-R563 PolarHBondContact OE1-NH2 2.99Å; E561-R563 IonicContact OE2-CZ 3.72Å; E561-R563 IonicContact OE2-NH2 2.72Å; E561-R563 PolarHBondContact OE2-NH2 3.22Å; R563-V565 PolarHBondContact O-N 2.81Å
564	D	84.2	Confident	80.3	Confident	75 Å²	75	69.7 Å²	69.7	40%	0.401	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	112.8	167.5	-65	-22.9	0	0	0	108	V543 R545	V543-D564 HydrophobicContact CG1-CB 3.89Å; V543-D564 VanDerWaalsContact CG1-CG 3.47Å; V543-D564 WeakPolarHBondContact CG1-OD1 3.34Å; R545-D564 IonicContact CZ-OD1 3.52Å; R545-D564 IonicContact NE-OD1 3.95Å; R545-D564 PolarHBondContact NE-OD1 3.21Å; R545-D564 IonicContact NH2-OD1 2.76Å; R545-D564 PolarHBondContact NH2-OD1 2.9Å; R545-D564 VanDerWaalsContact NH2-OD1 3.14Å; R545-D564 IonicContact NH2-OD2 3.64Å
565	V	82.5	Confident	79.4	Confident	46 Å²	46	69.5 Å²	69.5	28%	0.279	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-37.8	-174.9	164	0	0	0	0	111.4	L544 Q546 R563 P592 L594	L544-V565 HydrophobicContact CD2-CG1 4.37Å; L544-V565 PolarHBondContact O-N 3.15Å; Q546-V565 HydrophobicContact CB-CG2 3.59Å; R563-V565 PolarHBondContact O-N 2.81Å; V565-P592 HydrophobicContact CG1-CG 3.89Å; V565-L594 HydrophobicContact CG1-CD1 3.88Å; V565-L594 HydrophobicContact CG1-CD2 3.56Å; V565-L594 HydrophobicContact CG1-CG 4.29Å; V565-L594 HydrophobicContact CG2-CD2 4.36Å
566	Y	86.4	Confident	78.3	Confident	66 Å²	66	69.5 Å²	69.5	26%	0.259	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.5	178.3	178.5	-90.3	0	0	0	109.5	V543 L544 H587 F589	V543-Y566 WeakPolarHBondContact CA-O 3.42Å; L544-Y566 PolarHBondContact N-O 2.95Å; L544-Y566 PolarHBondContact O-N 3.34Å; Y566-H587 AromaticContact CE1-NE2 3.52Å; Y566-H587 AromaticContact CZ-NE2 3.62Å; Y566-H587 PolarHBondContact OH-CE1 3.47Å; Y566-H587 PolarHBondContact OH-NE2 3.39Å; Y566-F589 HydrophobicContact CD1-CD1 4.21Å; Y566-F589 AromaticContact CD1-CD2 3.66Å; Y566-F589 HydrophobicContact CD1-CD2 3.66Å; Y566-F589 HydrophobicContact CD1-CE1 4.16Å; Y566-F589 AromaticContact CD1-CE2 3.61Å; Y566-F589 HydrophobicContact CD1-CE2 3.61Å; Y566-F589 AromaticContact CD1-CG 3.98Å; Y566-F589 HydrophobicContact CD1-CG 3.98Å; Y566-F589 AromaticContact CD1-CZ 3.87Å; Y566-F589 HydrophobicContact CD1-CZ 3.87Å; Y566-F589 HydrophobicContact CD2-CD2 4.01Å; Y566-F589 HydrophobicContact CD2-CE2 4.4Å; Y566-F589 HydrophobicContact CE1-CB 3.96Å; Y566-F589 AromaticContact CE1-CD1 3.76Å; Y566-F589 HydrophobicContact CE1-CD1 3.76Å; Y566-F589 AromaticContact CE1-CD2 3.68Å; Y566-F589 HydrophobicContact CE1-CD2 3.68Å; Y566-F589 HydrophobicContact CE1-CE1 4.12Å; Y566-F589 HydrophobicContact CE1-CE2 4.06Å; Y566-F589 AromaticContact CE1-CG 3.53Å; Y566-F589 HydrophobicContact CE1-CG 3.53Å; Y566-F589 HydrophobicContact CE1-CZ 4.27Å; Y566-F589 HydrophobicContact CE2-CB 4.16Å; Y566-F589 HydrophobicContact CE2-CD2 4.01Å; Y566-F589 HydrophobicContact CE2-CG 4.26Å; Y566-F589 AromaticContact CG-CD2 3.84Å; Y566-F589 HydrophobicContact CG-CD2 3.84Å; Y566-F589 AromaticContact CG-CE2 3.81Å; Y566-F589 HydrophobicContact CG-CE2 3.81Å; Y566-F589 HydrophobicContact CG-CZ 4.47Å; Y566-F589 AromaticContact CZ-CD2 3.86Å; Y566-F589 AromaticContact CZ-CG 3.69Å; Y566-F589 WeakPolarHBondContact OH-CB 3.26Å
567	S	85	Confident	77.2	Confident	66 Å²	66	63 Å²	63	46%	0.462	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.6	171.5	62.9	0	0	0	0	110.2	L542	L542-S567 CarbonylContact O-C 3.6Å; L542-S567 WeakPolarHBondContact O-CA 3.47Å
568	G	83.6	Confident	76	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.6	178.5	0	0	0	0	0	111.2	F541 L542	F541-G568 CarbonylContact C-O 3.4Å; F541-G568 VanDerWaalsContact CA-O 3.25Å; F541-G568 WeakPolarHBondContact CA-O 3.45Å; L542-G568 PolarHBondContact N-O 2.99Å; L542-G568 PolarHBondContact O-N 3.06Å
569	E	84.7	Confident	75.1	Confident	14 Å²	14	65.6 Å²	65.6	7%	0.065	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.2	174.2	-176.6	-173.7	-146.8	0	0	109.7	R539 F541 R571 H587	R539-E569 IonicContact CZ-OE1 3.8Å; R539-E569 IonicContact NE-OE1 2.78Å; R539-E569 IonicContact NH1-OE1 3.58Å; R539-E569 PolarHBondContact NH1-OE1 2.8Å; F541-E569 HydrophobicContact CD1-CB 4.11Å; F541-E569 HydrophobicContact CE1-CB 3.76Å; F541-E569 HydrophobicContact CE1-CG 4.38Å; F541-E569 HydrophobicContact CZ-CB 4.19Å; F541-E569 HydrophobicContact CZ-CG 4.33Å; E569-R571 IonicContact OE2-CZ 2.8Å; E569-R571 IonicContact OE2-NE 2.74Å; E569-R571 PolarHBondContact OE2-NE 2.88Å; E569-R571 IonicContact OE2-NH2 3.42Å; E569-H587 PolarHBondContact O-ND1 2.74Å
570	M	83.4	Confident	74.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.332	C	S	.	.			trans	-72.8	136.2	173.1	-60.5	-157.7	81.7	0	0	110.9	L460 I540 L542 L585 H587 L613	L460-M570 HydrophobicContact CB-CE 3.73Å; L460-M570 HydrophobicContact CB-SD 3.78Å; L460-M570 HydrophobicContact CD2-SD 3.94Å; I540-M570 HydrophobicContact CG2-CB 4.41Å; I540-M570 HydrophobicContact CG2-CG 4.12Å; I540-M570 HydrophobicContact CG2-SD 4.04Å; I540-M570 PolarHBondContact O-N 3.24Å; L542-M570 HydrophobicContact CB-CG 4.16Å; M570-L585 HydrophobicContact CB-CB 3.96Å; M570-L585 HydrophobicContact CB-CD1 4.41Å; M570-L585 HydrophobicContact CE-CB 4.46Å; M570-L585 VanDerWaalsContact CE-O 3.27Å; M570-L585 WeakPolarHBondContact CE-O 3.36Å; M570-H587 HydrophobicContact CE-CB 4.29Å; M570-H587 HydrophobicContact CG-CB 4.24Å; M570-L613 HydrophobicContact CG-CD2 4.27Å; M570-L613 HydrophobicContact SD-CD2 3.37Å; M570-L613 WeakPolarHBondContact SD-CD2 3.33Å
571	R	81.8	Confident	73.3	Confident	136 Å²	136	64 Å²	64	51%	0.513	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.8	-174.6	-66.6	-177.7	175.4	172.8	1.5	112.1	Y511 E569 R573 L585 E586	Y511-R571 WeakPolarHBondContact OH-CA 3.28Å; E569-R571 IonicContact OE2-CZ 2.8Å; E569-R571 IonicContact OE2-NE 2.74Å; E569-R571 PolarHBondContact OE2-NE 2.88Å; E569-R571 IonicContact OE2-NH2 3.42Å; R571-R573 PolarHBondContact O-N 3.23Å; R571-L585 CarbonylContact O-C 3.39Å; R571-L585 VanDerWaalsContact O-CA 3.28Å; R571-L585 WeakPolarHBondContact O-CA 3.31Å; R571-E586 PolarHBondContact N-O 3.1Å; R571-E586 VanDerWaalsContact N-O 3.08Å; R571-E586 PolarHBondContact O-N 2.94Å
572	K	77.9	Confident	72.4	Confident	35 Å²	35	66.6 Å²	66.6	15%	0.152	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	128.1	172.9	-165.1	-159.9	171.3	-166.9	0	108.8	Y511 Y512 D515 E577 V583 L585	Y511-K572 HydrophobicContact CE1-CB 4.3Å; Y511-K572 PolarHBondContact OH-N 3.27Å; Y512-K572 HydrophobicContact CE2-CD 4.42Å; D515-K572 VanDerWaalsContact OD2-CD 3.31Å; D515-K572 WeakPolarHBondContact OD2-CD 3.24Å; K572-E577 PolarHBondContact NZ-O 3.32Å; K572-V583 HydrophobicContact CD-CG1 4.37Å; K572-V583 HydrophobicContact CG-CG1 3.85Å; K572-L585 HydrophobicContact CB-CD2 4.18Å
573	R	72.8	Confident	71.7	Confident	128 Å²	128	63 Å²	63	48%	0.483	32%	0.315	S	S	.	.			trans	-61.2	134.3	168.4	-173.6	-179	175.7	133.5	-14.9	108.8	R571 T575 A584 E586	R571-R573 PolarHBondContact O-N 3.23Å; R573-T575 HydrophobicContact CB-CG2 4.32Å; R573-T575 HydrophobicContact CG-CG2 4.06Å; R573-T575 PolarHBondContact O-N 2.96Å; R573-T575 PolarHBondContact O-OG1 3.16Å; R573-A584 PolarHBondContact N-O 3.03Å; R573-E586 HydrophobicContact CB-CB 4.44Å; R573-E586 WeakPolarHBondContact CD-OE2 3.3Å; R573-E586 IonicContact CZ-OE2 3.8Å; R573-E586 IonicContact NE-OE2 3.88Å; R573-E586 IonicContact NH1-OE2 2.78Å; R573-E586 PolarHBondContact NH1-OE2 3.42Å
574	P	66.1	Low	71.6	Confident	129 Å²	129	60.9 Å²	60.9	84%	0.838	31%	0.312	S	S	*	.			trans	-66.5	99.9	175.7	26.7	-33.4	0	0	0	109.5
575	T	62.8	Low	71.5	Confident	50 Å²	50	57.3 Å²	57.3	31%	0.307	29%	0.293	S	S	.	.			trans	-131.3	146.7	177.9	56.2	0	0	0	0	109.5	R573 E577	R573-T575 HydrophobicContact CB-CG2 4.32Å; R573-T575 HydrophobicContact CG-CG2 4.06Å; R573-T575 PolarHBondContact O-N 2.96Å; R573-T575 PolarHBondContact O-OG1 3.16Å; T575-E577 PolarHBondContact O-N 3.3Å
576	S	57.7	Low	71.7	Confident	116 Å²	116	57.1 Å²	57.1	81%	0.811	29%	0.289	S	S	*	.	S	Bend	trans	-66.2	-12.9	173.1	48	0	0	0	0	113.1
577	E	56.6	Low	71.7	Confident	44 Å²	44	55.3 Å²	55.3	21%	0.206	28%	0.283	C	S	.	.			trans	-74.9	129.9	-172.2	-56.9	-159.8	106.4	0	0	113.1	K572 T575 R582	K572-E577 PolarHBondContact NZ-O 3.32Å; T575-E577 PolarHBondContact O-N 3.3Å; E577-R582 WeakPolarHBondContact OE1-CD 3.36Å; E577-R582 IonicContact OE1-CZ 2.77Å; E577-R582 IonicContact OE1-NE 3.15Å; E577-R582 IonicContact OE1-NH1 3.96Å; E577-R582 PolarHBondContact OE1-NH1 3.38Å; E577-R582 WeakPolarHBondContact OE2-CB 3.34Å
578	K	57.3	Low	71.8	Confident	147 Å²	147	54.4 Å²	54.4	64%	0.639	27%	0.274	S	S	*	.			trans	-105.5	4.9	-178	-61.7	173.2	-175.9	169	0	113.1	Y512 I739	Y512-K578 PolarHBondContact OH-O 2.84Å; K578-I739 HydrophobicContact CD-CG2 4.32Å
579	H	57.5	Low	72	Confident	55 Å²	55	54.9 Å²	54.9	26%	0.255	28%	0.276	S	S	.	.			trans	-97.7	119.7	-179.1	-65.2	-79.6	0	0	0	110.8	L581 R582 V583	H579-L581 PolarHBondContact O-N 2.92Å; H579-L581 VanDerWaalsContact O-N 3.1Å; H579-R582 HydrophobicContact CB-CG 4.23Å; H579-R582 PolarHBondContact O-N 3.42Å; H579-V583 PolarHBondContact O-N 2.74Å
580	L	58.3	Low	72.1	Confident	30 Å²	30	60 Å²	60	16%	0.157	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-48.1	-41.2	-178.6	174.1	65.1	0	0	0	113.8	L462 L470 F508 V509 Y512 R582 V583	L462-L580 HydrophobicContact CD2-CD2 4.14Å; L462-L580 HydrophobicContact CD2-CG 4.14Å; L470-L580 HydrophobicContact CD1-CD2 4.42Å; F508-L580 HydrophobicContact CD1-CD1 4.29Å; F508-L580 HydrophobicContact CE1-CD1 4.01Å; V509-L580 HydrophobicContact CG2-CD1 4.08Å; V509-L580 HydrophobicContact CG2-CD2 3.93Å; Y512-L580 HydrophobicContact CD1-CB 4.45Å; Y512-L580 HydrophobicContact CD1-CD1 3.58Å; Y512-L580 HydrophobicContact CE1-CB 4.15Å; Y512-L580 HydrophobicContact CE1-CD1 4.11Å; Y512-L580 HydrophobicContact CG-CD1 4.15Å; L580-R582 VanDerWaalsContact C-N 3.25Å; L580-R582 PolarHBondContact O-N 3.47Å; L580-V583 PolarHBondContact O-N 2.98Å
581	L	60.3	Low	72.2	Confident	52 Å²	52	60.2 Å²	60.2	27%	0.272	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-66.4	-20.8	-179.4	-72.5	174.8	0	0	0	114.6	L462 V464 P467 L470 H579 W733	L462-L581 HydrophobicContact CD2-CD2 4.37Å; V464-L581 HydrophobicContact CB-CD2 4.23Å; V464-L581 HydrophobicContact CG2-CD2 3.58Å; P467-L581 HydrophobicContact CB-CD1 3.92Å; L470-L581 HydrophobicContact CD1-CD1 4.29Å; L470-L581 HydrophobicContact CD1-CD2 3.78Å; L470-L581 HydrophobicContact CD1-CG 3.93Å; H579-L581 PolarHBondContact O-N 2.92Å; H579-L581 VanDerWaalsContact O-N 3.1Å; L581-W733 HydrophobicContact CD1-CZ2 3.8Å
582	R	59.6	Low	72.3	Confident	65 Å²	65	56 Å²	56	25%	0.245	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-99.6	-9.8	179.6	-54.4	-171	178.6	-166.1	-4.2	112.9	E577 H579 L580 F730	E577-R582 WeakPolarHBondContact OE1-CD 3.36Å; E577-R582 IonicContact OE1-CZ 2.77Å; E577-R582 IonicContact OE1-NE 3.15Å; E577-R582 IonicContact OE1-NH1 3.96Å; E577-R582 PolarHBondContact OE1-NH1 3.38Å; E577-R582 WeakPolarHBondContact OE2-CB 3.34Å; H579-R582 HydrophobicContact CB-CG 4.23Å; H579-R582 PolarHBondContact O-N 3.42Å; L580-R582 VanDerWaalsContact C-N 3.25Å; L580-R582 PolarHBondContact O-N 3.47Å; R582-F730 HydrophobicContact CB-CE1 4.37Å; R582-F730 HydrophobicContact CG-CD1 4Å; R582-F730 HydrophobicContact CG-CE1 4.19Å
583	V	67.4	Low	72.4	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.012	32%	0.322	C	S	.	.			trans	-76.9	132.7	178.7	174	0	0	0	0	109.4	F508 Y512 K572 H579 L580	F508-V583 HydrophobicContact CZ-CG1 4.42Å; F508-V583 WeakPolarHBondContact CZ-O 3.46Å; Y512-V583 HydrophobicContact CD2-CG1 3.96Å; Y512-V583 HydrophobicContact CD2-CG2 4.27Å; Y512-V583 HydrophobicContact CE2-CB 4.29Å; Y512-V583 HydrophobicContact CE2-CG1 4.07Å; Y512-V583 HydrophobicContact CE2-CG2 3.58Å; K572-V583 HydrophobicContact CD-CG1 4.37Å; K572-V583 HydrophobicContact CG-CG1 3.85Å; H579-V583 PolarHBondContact O-N 2.74Å; L580-V583 PolarHBondContact O-N 2.98Å
584	A	78.1	Confident	73.1	Confident	22 Å²	22	55.2 Å²	55.2	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146	166.8	0	0	0	0	0	110	L460 R573	L460-A584 WeakPolarHBondContact O-CA 3.42Å; R573-A584 PolarHBondContact N-O 3.03Å
585	L	82.4	Confident	73.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126.5	161.5	-53.9	-177.8	0	0	0	107.6	L460 F508 Y511 I540 M570 R571 K572	L460-L585 HydrophobicContact CB-CB 4.39Å; L460-L585 PolarHBondContact N-O 3.26Å; L460-L585 PolarHBondContact O-N 2.94Å; F508-L585 HydrophobicContact CD2-CD1 3.9Å; F508-L585 HydrophobicContact CD2-CG 4.02Å; F508-L585 HydrophobicContact CE2-CB 4.38Å; F508-L585 HydrophobicContact CE2-CD1 4.06Å; F508-L585 HydrophobicContact CE2-CG 3.64Å; F508-L585 HydrophobicContact CZ-CG 4.3Å; Y511-L585 HydrophobicContact CD1-CD1 4.07Å; Y511-L585 HydrophobicContact CD1-CD2 3.58Å; Y511-L585 HydrophobicContact CD1-CG 4.49Å; Y511-L585 HydrophobicContact CE1-CD2 3.5Å; Y511-L585 VanDerWaalsContact CE1-CD2 3.5Å; Y511-L585 HydrophobicContact CG-CD1 4.25Å; I540-L585 HydrophobicContact CD1-CD1 4.04Å; M570-L585 HydrophobicContact CB-CB 3.96Å; M570-L585 HydrophobicContact CB-CD1 4.41Å; M570-L585 HydrophobicContact CE-CB 4.46Å; M570-L585 VanDerWaalsContact CE-O 3.27Å; M570-L585 WeakPolarHBondContact CE-O 3.36Å; R571-L585 CarbonylContact O-C 3.39Å; R571-L585 VanDerWaalsContact O-CA 3.28Å; R571-L585 WeakPolarHBondContact O-CA 3.31Å; K572-L585 HydrophobicContact CB-CD2 4.18Å
586	E	85.7	Confident	75	Confident	41 Å²	41	48.8 Å²	48.8	19%	0.192	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	144.9	178.9	-159.7	-178.1	124.6	0	0	109	T457 A458 R571 R573 T588	T457-E586 HydrophobicContact CG2-CG 3.69Å; T457-E586 WeakPolarHBondContact CG2-OE1 3.28Å; A458-E586 CarbonylContact O-C 3.5Å; A458-E586 WeakPolarHBondContact O-CA 3.26Å; R571-E586 PolarHBondContact N-O 3.1Å; R571-E586 VanDerWaalsContact N-O 3.08Å; R571-E586 PolarHBondContact O-N 2.94Å; R573-E586 HydrophobicContact CB-CB 4.44Å; R573-E586 WeakPolarHBondContact CD-OE2 3.3Å; R573-E586 IonicContact CZ-OE2 3.8Å; R573-E586 IonicContact NE-OE2 3.88Å; R573-E586 IonicContact NH1-OE2 2.78Å; R573-E586 PolarHBondContact NH1-OE2 3.42Å; E586-T588 PolarHBondContact OE1-OG1 2.94Å
587	H	86.8	Confident	76.4	Confident	29 Å²	29	45 Å²	45	13%	0.134	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	131.6	163.7	-171.7	59.3	0	0	0	110.1	A458 L542 Y566 E569 M570 F589	A458-H587 PolarHBondContact N-O 3.1Å; A458-H587 PolarHBondContact O-N 3.16Å; L542-H587 HydrophobicContact CD2-CB 4.29Å; Y566-H587 AromaticContact CE1-NE2 3.52Å; Y566-H587 AromaticContact CZ-NE2 3.62Å; Y566-H587 PolarHBondContact OH-CE1 3.47Å; Y566-H587 PolarHBondContact OH-NE2 3.39Å; E569-H587 PolarHBondContact O-ND1 2.74Å; M570-H587 HydrophobicContact CE-CB 4.29Å; M570-H587 HydrophobicContact CG-CB 4.24Å; H587-F589 AromaticContact CD2-CD1 3.78Å; H587-F589 AromaticContact NE2-CD1 3.99Å
588	T	86.1	Confident	77.6	Confident	47 Å²	47	44.3 Å²	44.3	29%	0.288	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.6	-177.7	-73.4	0	0	0	0	109.3	R455 L456 T457 E586	R455-T588 HydrophobicContact CG-CG2 3.86Å; L456-T588 WeakPolarHBondContact O-CA 3.47Å; T457-T588 WeakPolarHBondContact CB-OG1 3.48Å; T457-T588 WeakPolarHBondContact CG2-OG1 3.36Å; T457-T588 PolarHBondContact OG1-OG1 3.37Å; E586-T588 PolarHBondContact OE1-OG1 2.94Å
589	F	88.2	Confident	78.8	Confident	10 Å²	10	37.3 Å²	37.3	4%	0.044	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	163.3	176.2	70.2	-75.7	0	0	0	112.1	L456 L542 L544 Y566 H587 I591 L611	L456-F589 HydrophobicContact CD2-CD1 4.25Å; L456-F589 HydrophobicContact CD2-CE1 3.55Å; L456-F589 HydrophobicContact CD2-CZ 4.21Å; L456-F589 PolarHBondContact N-O 3.01Å; L456-F589 PolarHBondContact O-N 2.78Å; L542-F589 HydrophobicContact CD2-CD1 4.26Å; L542-F589 HydrophobicContact CD2-CE1 3.68Å; L544-F589 HydrophobicContact CD2-CE2 4.41Å; Y566-F589 HydrophobicContact CD1-CD1 4.21Å; Y566-F589 AromaticContact CD1-CD2 3.66Å; Y566-F589 HydrophobicContact CD1-CD2 3.66Å; Y566-F589 HydrophobicContact CD1-CE1 4.16Å; Y566-F589 AromaticContact CD1-CE2 3.61Å; Y566-F589 HydrophobicContact CD1-CE2 3.61Å; Y566-F589 AromaticContact CD1-CG 3.98Å; Y566-F589 HydrophobicContact CD1-CG 3.98Å; Y566-F589 AromaticContact CD1-CZ 3.87Å; Y566-F589 HydrophobicContact CD1-CZ 3.87Å; Y566-F589 HydrophobicContact CD2-CD2 4.01Å; Y566-F589 HydrophobicContact CD2-CE2 4.4Å; Y566-F589 HydrophobicContact CE1-CB 3.96Å; Y566-F589 AromaticContact CE1-CD1 3.76Å; Y566-F589 HydrophobicContact CE1-CD1 3.76Å; Y566-F589 AromaticContact CE1-CD2 3.68Å; Y566-F589 HydrophobicContact CE1-CD2 3.68Å; Y566-F589 HydrophobicContact CE1-CE1 4.12Å; Y566-F589 HydrophobicContact CE1-CE2 4.06Å; Y566-F589 AromaticContact CE1-CG 3.53Å; Y566-F589 HydrophobicContact CE1-CG 3.53Å; Y566-F589 HydrophobicContact CE1-CZ 4.27Å; Y566-F589 HydrophobicContact CE2-CB 4.16Å; Y566-F589 HydrophobicContact CE2-CD2 4.01Å; Y566-F589 HydrophobicContact CE2-CG 4.26Å; Y566-F589 AromaticContact CG-CD2 3.84Å; Y566-F589 HydrophobicContact CG-CD2 3.84Å; Y566-F589 AromaticContact CG-CE2 3.81Å; Y566-F589 HydrophobicContact CG-CE2 3.81Å; Y566-F589 HydrophobicContact CG-CZ 4.47Å; Y566-F589 AromaticContact CZ-CD2 3.86Å; Y566-F589 AromaticContact CZ-CG 3.69Å; Y566-F589 WeakPolarHBondContact OH-CB 3.26Å; H587-F589 AromaticContact CD2-CD1 3.78Å; H587-F589 AromaticContact NE2-CD1 3.99Å; F589-I591 HydrophobicContact CE2-CG1 4.01Å; F589-L611 HydrophobicContact CE1-CD1 4.29Å; F589-L611 HydrophobicContact CZ-CD1 4.07Å
590	H	87.4	Confident	79.9	Confident	122 Å²	122	38.4 Å²	38.4	57%	0.565	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.6	170.8	-71.3	-98.4	0	0	0	109.8	G453 S454	G453-H590 PolarHBondContact O-ND1 2.87Å; S454-H590 WeakPolarHBondContact O-CA 3.48Å
591	I	85.8	Confident	81	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-74.9	129.9	-178.2	-76.3	168.7	0	0	0	110.4	L450 G453 S454 L456 F589 L594	L450-I591 HydrophobicContact CB-CD1 3.68Å; L450-I591 HydrophobicContact CD1-CD1 3.55Å; L450-I591 HydrophobicContact CD2-CD1 3.8Å; L450-I591 HydrophobicContact CG-CD1 3.82Å; G453-I591 WeakPolarHBondContact CA-O 3.42Å; G453-I591 PolarHBondContact N-O 3.44Å; S454-I591 PolarHBondContact O-N 2.83Å; L456-I591 HydrophobicContact CB-CD1 4.39Å; F589-I591 HydrophobicContact CE2-CG1 4.01Å; I591-L594 HydrophobicContact CG2-CD1 4.11Å
592	P	82.5	Confident	82.3	Confident	49 Å²	49	37.5 Å²	37.5	32%	0.318	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-67.3	171.3	179.6	26.4	-32.3	0	0	0	112.1	V565 L594	V565-P592 HydrophobicContact CG1-CG 3.89Å; P592-L594 HydrophobicContact CG-CD1 4.06Å; P592-L594 HydrophobicContact CG-CD2 4.16Å; P592-L594 HydrophobicContact CG-CG 3.99Å; P592-L594 WeakPolarHBondContact O-CG 3.27Å; P592-L594 PolarHBondContact O-N 2.89Å
593	S	81.9	Confident	83.6	Confident	115 Å²	115	36.5 Å²	36.5	80%	0.804	23%	0.228	S	C	*	.	S	Bend	trans	-67.6	102	172.8	53.4	0	0	0	0	110.8
594	L	86	Confident	84.6	Confident	30 Å²	30	36.4 Å²	36.4	16%	0.157	23%	0.228	C	C	.	.			trans	-121.4	150.8	-175.8	-63.9	174.3	0	0	0	111.2	L544 V565 I591 P592 Y609 V702	L544-L594 HydrophobicContact CD2-CD1 4.15Å; V565-L594 HydrophobicContact CG1-CD1 3.88Å; V565-L594 HydrophobicContact CG1-CD2 3.56Å; V565-L594 HydrophobicContact CG1-CG 4.29Å; V565-L594 HydrophobicContact CG2-CD2 4.36Å; I591-L594 HydrophobicContact CG2-CD1 4.11Å; P592-L594 HydrophobicContact CG-CD1 4.06Å; P592-L594 HydrophobicContact CG-CD2 4.16Å; P592-L594 HydrophobicContact CG-CG 3.99Å; P592-L594 WeakPolarHBondContact O-CG 3.27Å; P592-L594 PolarHBondContact O-N 2.89Å; L594-Y609 HydrophobicContact CB-CE1 4.45Å; L594-Y609 HydrophobicContact CD1-CD1 4.37Å; L594-Y609 HydrophobicContact CD1-CE1 3.87Å; L594-V702 HydrophobicContact CB-CG1 4.39Å
595	P	84.3	Confident	85.1	Confident	33 Å²	33	35.4 Å²	35.4	21%	0.214	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-65	147.8	170.2	27.3	-31.7	0	0	0	110.4	F184 L599 Y609	F184-P595 HydrophobicContact CD2-CB 4.07Å; F184-P595 HydrophobicContact CD2-CG 3.88Å; F184-P595 HydrophobicContact CE2-CG 3.9Å; P595-L599 HydrophobicContact CB-CD2 4.19Å; P595-Y609 WeakPolarHBondContact CD-OH 3.11Å; P595-Y609 WeakPolarHBondContact CG-OH 3.38Å; P595-Y609 WeakPolarHBondContact O-CE2 3.28Å; P595-Y609 PolarHBondContact O-OH 2.88Å
596	P	85.9	Confident	85.5	Confident	11 Å²	11	37.3 Å²	37.3	7%	0.071	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-67.5	163	-177.5	30.1	-36.1	0	0	0	112.2	C182 T219 L599 V702	C182-P596 HydrophobicContact CB-CG 4.5Å; T219-P596 HydrophobicContact CG2-CB 3.8Å; T219-P596 HydrophobicContact CG2-CG 3.69Å; T219-P596 WeakPolarHBondContact OG1-CB 3.39Å; P596-L599 HydrophobicContact CG-CD2 4.43Å; P596-V702 WeakPolarHBondContact CA-O 3.4Å
597	T	85.8	Confident	85.7	Confident	36 Å²	36	35.3 Å²	35.3	22%	0.221	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-69.8	141.4	179.1	-48.8	0	0	0	0	110.2	L599 V607 V702	T597-L599 PolarHBondContact O-N 2.88Å; T597-V607 CarbonylContact C-O 3.51Å; T597-V607 VanDerWaalsContact CA-O 3.27Å; T597-V607 WeakPolarHBondContact CA-O 3.4Å; T597-V607 WeakPolarHBondContact CG2-O 3.45Å; T597-V702 WeakPolarHBondContact CB-O 3.35Å; T597-V702 PolarHBondContact N-O 2.81Å; T597-V702 PolarHBondContact OG1-N 2.88Å; T597-V702 PolarHBondContact OG1-O 3.02Å
598	G	82.6	Confident	85.8	Confident	30 Å²	30	35.6 Å²	35.6	31%	0.309	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	70.6	-9.6	175.3	0	0	0	0	0	116.9	E600 V607	G598-E600 VanDerWaalsContact C-N 3.33Å; G598-E600 PolarHBondContact O-N 3.18Å; G598-V607 PolarHBondContact N-O 3.2Å
599	L	82.8	Confident	86	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	43.7	51	178.6	-65.2	-179	0	0	0	114.3	C182 F184 I191 P595 P596 T597 G601 C602 I605 V607	C182-L599 HydrophobicContact CB-CD2 4.3Å; F184-L599 HydrophobicContact CB-CD1 4.05Å; F184-L599 HydrophobicContact CD1-CD1 4.17Å; F184-L599 HydrophobicContact CD2-CD1 4.1Å; F184-L599 HydrophobicContact CG-CD1 3.82Å; I191-L599 HydrophobicContact CD1-CD1 3.99Å; P595-L599 HydrophobicContact CB-CD2 4.19Å; P596-L599 HydrophobicContact CG-CD2 4.43Å; T597-L599 PolarHBondContact O-N 2.88Å; L599-G601 PolarHBondContact O-N 2.89Å; L599-C602 HydrophobicContact CB-CB 4.24Å; L599-C602 WeakPolarHBondContact O-CB 3.19Å; L599-C602 PolarHBondContact O-N 2.82Å; L599-I605 HydrophobicContact CD1-CB 4.48Å; L599-I605 HydrophobicContact CD1-CG2 4.04Å; L599-V607 HydrophobicContact CD1-CB 4.47Å; L599-V607 HydrophobicContact CD1-CG2 3.59Å; L599-V607 HydrophobicContact CG-CB 4.26Å; L599-V607 HydrophobicContact CG-CG2 3.9Å
600	E	80.1	Confident	86	Confident	78 Å²	78	35.2 Å²	35.2	36%	0.364	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-34	118.5	-176.9	-70.8	174.8	-141.7	0	0	114.4	P181 R217 T219 G598	P181-E600 WeakPolarHBondContact CA-O 3.26Å; P181-E600 WeakPolarHBondContact CB-O 3.42Å; R217-E600 VanDerWaalsContact CD-O 3.25Å; R217-E600 WeakPolarHBondContact CD-O 3.4Å; R217-E600 IonicContact CZ-OE2 2.73Å; R217-E600 VanDerWaalsContact NE-CB 3.26Å; R217-E600 IonicContact NE-OE2 2.69Å; R217-E600 PolarHBondContact NE-OE2 2.86Å; R217-E600 PolarHBondContact NH1-O 3.06Å; R217-E600 IonicContact NH2-OE2 3.53Å; R217-E600 PolarHBondContact NH2-OE2 3.23Å; T219-E600 WeakPolarHBondContact CA-OE1 3.25Å; T219-E600 VanDerWaalsContact CB-OE1 3.25Å; T219-E600 WeakPolarHBondContact CB-OE1 3.26Å; T219-E600 HydrophobicContact CG2-CB 4.29Å; T219-E600 HydrophobicContact CG2-CG 4.09Å; T219-E600 WeakPolarHBondContact CG2-OE1 3.39Å; G598-E600 VanDerWaalsContact C-N 3.33Å; G598-E600 PolarHBondContact O-N 3.18Å
601	G	81.4	Confident	86	Confident	45 Å²	45	29.4 Å²	29.4	46%	0.464	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.4	-14	-176	0	0	0	0	0	114.1	Y144 L599	Y144-G601 VanDerWaalsContact CE1-O 3.29Å; Y144-G601 WeakPolarHBondContact CE1-O 3.33Å; L599-G601 PolarHBondContact O-N 2.89Å
602	C	87.7	Confident	85.9	Confident	18 Å²	18	29.2 Å²	29.2	12%	0.122	20%	0.196	C	C	.	.			trans	-99.2	143.1	169.8	-172.7	0	0	0	0	111	E142 Y144 P181 I191 L599 I605	E142-C602 PolarHBondContact OE2-SG 2.67Å; E142-C602 VanDerWaalsContact OE2-SG 3.4Å; Y144-C602 PolarHBondContact OH-SG 3.25Å; P181-C602 HydrophobicContact CB-CB 4.15Å; P181-C602 HydrophobicContact CG-CB 4.23Å; I191-C602 HydrophobicContact CD1-CB 3.75Å; L599-C602 HydrophobicContact CB-CB 4.24Å; L599-C602 WeakPolarHBondContact O-CB 3.19Å; L599-C602 PolarHBondContact O-N 2.82Å; C602-I605 PolarHBondContact SG-N 3.42Å; C602-I605 PolarHBondContact SG-O 2.81Å; C602-I605 VanDerWaalsContact SG-O 3.38Å
603	S	87.5	Confident	86	Confident	44 Å²	44	26.9 Å²	26.9	31%	0.308	18%	0.181	S	C	.	.	S	Bend	trans	-115.5	-23.7	168.2	103.6	0	0	0	0	112.7	E142 R551 H555	E142-S603 WeakPolarHBondContact OE1-CA 3.19Å; E142-S603 VanDerWaalsContact OE1-CB 3.23Å; E142-S603 WeakPolarHBondContact OE1-CB 3.44Å; E142-S603 PolarHBondContact OE1-N 2.69Å; E142-S603 PolarHBondContact OE1-OG 3.07Å; E142-S603 PolarHBondContact OE2-N 3.12Å; R551-S603 WeakPolarHBondContact CD-O 3.32Å; H555-S603 PolarHBondContact CE1-OG 3.37Å; H555-S603 PolarHBondContact ND1-OG 2.95Å
604	C	87.2	Confident	86	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-79.2	-21.7	-178.2	69	0	0	0	0	114.5	V67 N140 E142 R551	V67-C604 HydrophobicContact CG2-CB 3.74Å; N140-C604 HydrophobicContact CB-CB 3.99Å; N140-C604 WeakPolarHBondContact ND2-CB 3.47Å; E142-C604 VanDerWaalsContact CD-N 3.33Å; E142-C604 VanDerWaalsContact CD-SG 3.53Å; E142-C604 HydrophobicContact CG-CB 4.06Å; E142-C604 PolarHBondContact OE1-N 3.05Å; E142-C604 PolarHBondContact OE2-N 2.8Å; E142-C604 VanDerWaalsContact OE2-N 3.07Å; E142-C604 PolarHBondContact OE2-SG 2.95Å; R551-C604 PolarHBondContact N-O 3.04Å
605	I	89.7	Confident	85.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	124.8	179	-54.1	176.1	0	0	0	109.4	V67 F184 I191 I548 T549 Y550 L599 C602	V67-I605 HydrophobicContact CG2-CD1 4.1Å; V67-I605 HydrophobicContact CG2-CG1 3.66Å; F184-I605 HydrophobicContact CD1-CD1 4.34Å; F184-I605 HydrophobicContact CD1-CG2 3.83Å; F184-I605 HydrophobicContact CE1-CG2 3.65Å; I191-I605 HydrophobicContact CG1-CD1 4.43Å; I548-I605 HydrophobicContact CG2-CG2 3.97Å; T549-I605 WeakPolarHBondContact O-CA 3.25Å; Y550-I605 HydrophobicContact CD1-CG1 4.18Å; Y550-I605 HydrophobicContact CE1-CG2 4.5Å; L599-I605 HydrophobicContact CD1-CB 4.48Å; L599-I605 HydrophobicContact CD1-CG2 4.04Å; C602-I605 PolarHBondContact SG-N 3.42Å; C602-I605 PolarHBondContact SG-O 2.81Å; C602-I605 VanDerWaalsContact SG-O 3.38Å
606	D	89.9	Confident	85.2	Confident	40 Å²	40	22.2 Å²	22.2	21%	0.214	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.2	179.5	154.1	43.4	0	0	0	109.8	I548 T549 R551	I548-D606 CarbonylContact C-O 3.52Å; I548-D606 WeakPolarHBondContact CA-O 3.39Å; T549-D606 PolarHBondContact N-O 2.76Å; T549-D606 PolarHBondContact O-N 2.83Å; T549-D606 WeakPolarHBondContact OG1-CB 3.35Å; T549-D606 PolarHBondContact OG1-OD2 2.9Å; R551-D606 IonicContact CZ-OD2 2.8Å; R551-D606 IonicContact NH2-OD2 3.23Å; R551-D606 PolarHBondContact NH2-OD2 3.21Å
607	V	90.1	Very high	84.3	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119.7	-170.3	178	0	0	0	0	109.4	F184 Q546 V547 I548 T597 G598 L599 Y609	F184-V607 HydrophobicContact CD2-CG2 4.26Å; F184-V607 HydrophobicContact CE1-CG2 4.44Å; F184-V607 HydrophobicContact CE2-CG2 3.68Å; F184-V607 HydrophobicContact CZ-CG2 3.78Å; Q546-V607 HydrophobicContact CG-CG1 3.95Å; V547-V607 WeakPolarHBondContact O-CA 3.41Å; I548-V607 HydrophobicContact CG2-CG2 4.34Å; T597-V607 CarbonylContact C-O 3.51Å; T597-V607 VanDerWaalsContact CA-O 3.27Å; T597-V607 WeakPolarHBondContact CA-O 3.4Å; T597-V607 WeakPolarHBondContact CG2-O 3.45Å; G598-V607 PolarHBondContact N-O 3.2Å; L599-V607 HydrophobicContact CD1-CB 4.47Å; L599-V607 HydrophobicContact CD1-CG2 3.59Å; L599-V607 HydrophobicContact CG-CB 4.26Å; L599-V607 HydrophobicContact CG-CG2 3.9Å; V607-Y609 HydrophobicContact CG1-CE2 3.9Å
608	A	88.3	Confident	83	Confident	35 Å²	35	27.7 Å²	27.7	29%	0.289	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	159.1	175.4	0	0	0	0	0	111.4	Q546 V547	Q546-A608 WeakPolarHBondContact CA-O 3.29Å; V547-A608 HydrophobicContact CB-CB 4.5Å; V547-A608 PolarHBondContact N-O 2.72Å; V547-A608 PolarHBondContact O-N 3.12Å
609	Y	90.9	Very high	81.6	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.5	175	-61	-82.2	0	0	0	110.8	R545 Q546 L594 P595 V607 I700 V702	R545-Y609 WeakPolarHBondContact O-CA 3.12Å; Q546-Y609 HydrophobicContact CB-CD1 3.96Å; Q546-Y609 HydrophobicContact CB-CE1 3.68Å; Q546-Y609 HydrophobicContact CG-CD1 4.26Å; Q546-Y609 HydrophobicContact CG-CE1 3.66Å; Q546-Y609 PolarHBondContact NE2-OH 2.99Å; L594-Y609 HydrophobicContact CB-CE1 4.45Å; L594-Y609 HydrophobicContact CD1-CD1 4.37Å; L594-Y609 HydrophobicContact CD1-CE1 3.87Å; P595-Y609 WeakPolarHBondContact CD-OH 3.11Å; P595-Y609 WeakPolarHBondContact CG-OH 3.38Å; P595-Y609 WeakPolarHBondContact O-CE2 3.28Å; P595-Y609 PolarHBondContact O-OH 2.88Å; V607-Y609 HydrophobicContact CG1-CE2 3.9Å; Y609-I700 PolarHBondContact O-N 3.18Å; Y609-V702 HydrophobicContact CD2-CB 3.92Å; Y609-V702 HydrophobicContact CD2-CG2 3.5Å; Y609-V702 HydrophobicContact CE2-CB 3.85Å; Y609-V702 HydrophobicContact CE2-CG2 3.8Å; Y609-V702 HydrophobicContact CG-CG2 3.94Å
610	N	87.6	Confident	79.5	Confident	47 Å²	47	37 Å²	37	25%	0.251	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123.2	174.5	-71.2	-41.6	0	0	0	109	R545 L694	R545-N610 PolarHBondContact N-O 3.11Å; R545-N610 PolarHBondContact O-N 2.87Å; N610-L694 HydrophobicContact CB-CD1 4.11Å
611	L	87.5	Confident	77.2	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.8	169.2	-169.6	80.7	0	0	0	108.5	V445 L456 A458 L542 V543 L544 F589 P697 I698 I700	V445-L611 HydrophobicContact CG1-CD2 3.54Å; L456-L611 HydrophobicContact CD1-CD2 4.3Å; L456-L611 HydrophobicContact CD2-CD2 3.85Å; A458-L611 HydrophobicContact CB-CD2 4.35Å; L542-L611 HydrophobicContact CD1-CD1 4.26Å; L542-L611 HydrophobicContact CD1-CD2 3.96Å; L542-L611 HydrophobicContact CD1-CG 3.92Å; L542-L611 HydrophobicContact CD2-CD1 3.97Å; L542-L611 HydrophobicContact CD2-CD2 4.21Å; L542-L611 HydrophobicContact CD2-CG 4.39Å; L542-L611 HydrophobicContact CG-CD1 3.89Å; L542-L611 HydrophobicContact CG-CD2 4.35Å; L542-L611 HydrophobicContact CG-CG 4.13Å; V543-L611 WeakPolarHBondContact O-CA 3.41Å; L544-L611 HydrophobicContact CB-CD1 3.93Å; L544-L611 HydrophobicContact CD1-CB 4.32Å; L544-L611 HydrophobicContact CD1-CD1 4.04Å; F589-L611 HydrophobicContact CE1-CD1 4.29Å; F589-L611 HydrophobicContact CZ-CD1 4.07Å; L611-P697 CarbonylContact O-C 3.55Å; L611-P697 WeakPolarHBondContact O-CA 3.4Å; L611-I698 PolarHBondContact N-O 2.69Å; L611-I698 PolarHBondContact O-N 3.17Å; L611-I700 HydrophobicContact CB-CD1 3.65Å; L611-I700 HydrophobicContact CB-CG1 4.27Å; L611-I700 HydrophobicContact CD2-CD1 4.12Å; L611-I700 HydrophobicContact CG-CD1 4.31Å
612	G	83.9	Confident	74.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-172.6	178.3	0	0	0	0	0	112.5	V543	V543-G612 PolarHBondContact N-O 3.08Å; V543-G612 PolarHBondContact O-N 3.46Å
613	L	84.3	Confident	71.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.4	-174.5	-61.9	168	0	0	0	111.6	L443 L460 L504 I540 F541 L542 M570 L695 L696	L443-L613 HydrophobicContact CB-CD1 4.27Å; L443-L613 HydrophobicContact CD1-CD1 4.21Å; L443-L613 HydrophobicContact CD1-CD2 4.39Å; L443-L613 HydrophobicContact CD1-CG 4.46Å; L443-L613 HydrophobicContact CD2-CD1 4.29Å; L443-L613 HydrophobicContact CD2-CG 4.16Å; L443-L613 HydrophobicContact CG-CD1 4.5Å; L460-L613 HydrophobicContact CD1-CD1 3.72Å; L460-L613 HydrophobicContact CD2-CD1 3.9Å; L460-L613 HydrophobicContact CG-CD1 4.35Å; L504-L613 HydrophobicContact CD1-CB 4.4Å; L504-L613 HydrophobicContact CD1-CD1 4.19Å; L504-L613 HydrophobicContact CD2-CD1 3.61Å; I540-L613 HydrophobicContact CG2-CD2 3.94Å; F541-L613 WeakPolarHBondContact O-CA 3.45Å; L542-L613 HydrophobicContact CB-CD2 4.35Å; L542-L613 HydrophobicContact CD1-CD2 3.7Å; M570-L613 HydrophobicContact CG-CD2 4.27Å; M570-L613 HydrophobicContact SD-CD2 3.37Å; M570-L613 WeakPolarHBondContact SD-CD2 3.33Å; L613-L695 HydrophobicContact CB-CB 4.27Å; L613-L695 PolarHBondContact N-O 2.86Å; L613-L695 VanDerWaalsContact O-CB 3.3Å; L613-L695 WeakPolarHBondContact O-CB 3.47Å; L613-L695 PolarHBondContact O-N 3.11Å; L613-L696 HydrophobicContact CD1-CD1 4.34Å
614	V	81.9	Confident	68.9	Low	5 Å²	5	44.5 Å²	44.5	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.2	168.8	-175.4	0	0	0	0	108.2	F541 V543 F616 L694	F541-V614 PolarHBondContact N-O 2.84Å; F541-V614 PolarHBondContact O-N 2.89Å; V543-V614 HydrophobicContact CG2-CB 4.43Å; V543-V614 HydrophobicContact CG2-CG2 3.85Å; V614-F616 HydrophobicContact CB-CE2 4.49Å; V614-F616 HydrophobicContact CB-CZ 4.22Å; V614-F616 HydrophobicContact CG1-CD1 4.21Å; V614-F616 HydrophobicContact CG1-CE1 3.49Å; V614-F616 VanDerWaalsContact CG1-CE1 3.49Å; V614-F616 HydrophobicContact CG1-CE2 3.99Å; V614-F616 HydrophobicContact CG1-CZ 3.38Å; V614-L694 HydrophobicContact CG2-CD2 4.02Å
615	S	78.8	Confident	66.5	Low	18 Å²	18	53.3 Å²	53.3	13%	0.126	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.5	178.3	61.2	0	0	0	0	111.1	R539	R539-S615 WeakPolarHBondContact O-CA 3.06Å
616	F	75.2	Confident	63.6	Low	56 Å²	56	61.7 Å²	61.7	25%	0.246	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	140.1	-179.9	-60.8	-59.9	0	0	0	111.3	H538 R539 F541 V614 H691	H538-F616 CarbonylContact C-O 3.43Å; H538-F616 WeakPolarHBondContact CA-O 3.38Å; R539-F616 PolarHBondContact N-O 2.99Å; R539-F616 PolarHBondContact O-N 3.19Å; F541-F616 HydrophobicContact CB-CE2 4.5Å; F541-F616 AromaticContact CD2-CD2 3.49Å; F541-F616 HydrophobicContact CD2-CD2 3.49Å; F541-F616 VanDerWaalsContact CD2-CD2 3.49Å; F541-F616 AromaticContact CD2-CE2 3.67Å; F541-F616 HydrophobicContact CD2-CE2 3.67Å; F541-F616 AromaticContact CE2-CD2 3.7Å; F541-F616 HydrophobicContact CE2-CD2 3.7Å; F541-F616 HydrophobicContact CE2-CE2 4.14Å; F541-F616 HydrophobicContact CG-CD2 4.42Å; F541-F616 HydrophobicContact CG-CE2 4.17Å; V614-F616 HydrophobicContact CB-CE2 4.49Å; V614-F616 HydrophobicContact CB-CZ 4.22Å; V614-F616 HydrophobicContact CG1-CD1 4.21Å; V614-F616 HydrophobicContact CG1-CE1 3.49Å; V614-F616 VanDerWaalsContact CG1-CE1 3.49Å; V614-F616 HydrophobicContact CG1-CE2 3.99Å; V614-F616 HydrophobicContact CG1-CZ 3.38Å; F616-H691 AromaticContact CE1-CE1 3.39Å; F616-H691 WeakPolarHBondContact CE1-CE1 3.44Å; F616-H691 AromaticContact CE1-ND1 3.98Å; F616-H691 AromaticContact CE1-NE2 3.54Å; F616-H691 AromaticContact CZ-CE1 3.64Å
617	K	67.8	Low	61.2	Low	131 Å²	131	66.1 Å²	66.1	57%	0.57	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.5	169.5	-78.6	162.8	-177.6	164.9	0	109.1	H538 K619	H538-K617 WeakPolarHBondContact NE2-CE 3.4Å; H538-K617 VanDerWaalsContact NE2-CG 3.26Å; H538-K617 WeakPolarHBondContact NE2-CG 3.47Å; K617-K619 PolarHBondContact O-N 2.96Å
618	L	58	Low	58.5	Low	32 Å²	32	69 Å²	69	17%	0.168	35%	0.345	C	S	.	.			trans	-73.1	79.9	176.3	-59.2	-168.7	0	0	0	110.3	P537 R539 L621	P537-L618 HydrophobicContact CB-CD1 4.05Å; P537-L618 HydrophobicContact CB-CG 4.45Å; P537-L618 HydrophobicContact CG-CB 4.05Å; P537-L618 HydrophobicContact CG-CD1 3.97Å; P537-L618 HydrophobicContact CG-CG 4.38Å; P537-L618 WeakPolarHBondContact O-CB 3.26Å; P537-L618 WeakPolarHBondContact O-CG 3.41Å; P537-L618 PolarHBondContact O-N 2.78Å; R539-L618 HydrophobicContact CG-CD1 4.13Å; R539-L618 HydrophobicContact CG-CD2 4.19Å; R539-L618 HydrophobicContact CG-CG 4.37Å; L618-L621 HydrophobicContact CD2-CB 4.29Å; L618-L621 HydrophobicContact CD2-CD1 3.46Å; L618-L621 VanDerWaalsContact CD2-CD1 3.46Å; L618-L621 HydrophobicContact CD2-CG 4.45Å
619	K	52.8	Low	55.7	Low	133 Å²	133	70.7 Å²	70.7	58%	0.578	35%	0.346	S	S	*	.	S	Bend	trans	-93.4	-28.3	167.8	-86.2	-159.8	166.8	-161.9	0	113.6	K617	K617-K619 PolarHBondContact O-N 2.96Å
620	K	38.6	Very low	52.9	Low	93 Å²	93	73.8 Å²	73.8	40%	0.404	36%	0.357	S	S	.	.	S	Bend	trans	-151.3	46.9	-157.5	-73.5	-172.2	178.1	-176	0	112.4	L632 E633 N634	K620-L632 HydrophobicContact CB-CD1 4.35Å; K620-L632 CarbonylContact O-C 3.56Å; K620-E633 WeakPolarHBondContact CB-O 3.49Å; K620-E633 PolarHBondContact O-N 2.8Å; K620-N634 WeakPolarHBondContact CD-OD1 3.23Å; K620-N634 WeakPolarHBondContact CE-OD1 3.49Å; K620-N634 PolarHBondContact NZ-OD1 2.92Å
621	L	32	Very low	50.2	Low	58 Å²	58	75.2 Å²	75.2	30%	0.304	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	101	-180	-78.6	166.3	0	0	0	109	L618 W630 I631 L632	L618-L621 HydrophobicContact CD2-CB 4.29Å; L618-L621 HydrophobicContact CD2-CD1 3.46Å; L618-L621 VanDerWaalsContact CD2-CD1 3.46Å; L618-L621 HydrophobicContact CD2-CG 4.45Å; L621-W630 HydrophobicContact CB-CE3 4.37Å; L621-W630 HydrophobicContact CD2-CB 4.38Å; L621-I631 WeakPolarHBondContact CD2-O 3.32Å; L621-L632 HydrophobicContact CD2-CB 4.46Å; L621-L632 HydrophobicContact CD2-CD1 4.29Å; L621-L632 HydrophobicContact CG-CD1 4.3Å
622	K	26.8	Very low	47.5	Very low	133 Å²	133	80.4 Å²	80.4	58%	0.578	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	147.6	170.8	-82.8	178.1	-174.8	156.9	0	110.7	P624 E633	K622-P624 WeakPolarHBondContact O-CD 3.38Å; K622-E633 WeakPolarHBondContact CD-OE1 3.35Å; K622-E633 VanDerWaalsContact CD-OE2 3.23Å; K622-E633 WeakPolarHBondContact CD-OE2 3.33Å; K622-E633 WeakPolarHBondContact CE-OE1 3.34Å; K622-E633 WeakPolarHBondContact CE-OE2 3.39Å; K622-E633 WeakPolarHBondContact CG-OE2 3.37Å; K622-E633 IonicContact NZ-OE1 2.68Å; K622-E633 PolarHBondContact NZ-OE1 3.31Å; K622-E633 IonicContact NZ-OE2 3.29Å; K622-E633 PolarHBondContact NZ-OE2 2.91Å
623	H	27.4	Very low	44.7	Very low	111 Å²	111	83.7 Å²	83.7	51%	0.514	41%	0.407	S	S	.	.			trans	-76.8	114.7	176.1	-167.3	-55	0	0	0	109.3
624	P	28.3	Very low	42.1	Very low	40 Å²	40	86.5 Å²	86.5	26%	0.26	42%	0.422	S	S	.	.			trans	-71.1	155.3	170.4	30.2	-32.4	0	0	0	110.2	K622 K626 K629	K622-P624 WeakPolarHBondContact O-CD 3.38Å; P624-K626 PolarHBondContact O-N 3.15Å; P624-K629 WeakPolarHBondContact CD-O 3.28Å; P624-K629 HydrophobicContact CG-CB 4.49Å; P624-K629 WeakPolarHBondContact CG-O 3.17Å
625	L	36.5	Very low	39.5	Very low	185 Å²	185	92.3 Å²	92.3	97%	0.969	45%	0.452	S	S	*	.	S	Bend	trans	-75.6	20.6	-176.5	-76.5	158.6	0	0	0	114.6
626	K	29.9	Very low	37	Very low	176 Å²	176	99.4 Å²	99.4	77%	0.765	49%	0.488	S	S	*	.	S	Bend	trans	-139.8	140.4	168.9	-68.9	-167.5	175.3	-173.2	0	109.5	P624 T628	P624-K626 PolarHBondContact O-N 3.15Å; K626-T628 PolarHBondContact O-N 3Å
627	V	38.8	Very low	34.8	Very low	133 Å²	133	100 Å²	100	81%	0.806	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.5	-149.6	175.7	0	0	0	0	115.6
628	T	34.3	Very low	32.9	Very low	61 Å²	61	100.2 Å²	100.2	37%	0.374	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	26.3	-161.3	45.8	0	0	0	0	115.5	K626 E652	K626-T628 PolarHBondContact O-N 3Å; T628-E652 WeakPolarHBondContact CB-OE1 3.25Å; T628-E652 HydrophobicContact CG2-CG 3.94Å; T628-E652 WeakPolarHBondContact CG2-OE1 3.46Å; T628-E652 PolarHBondContact OG1-OE1 2.95Å
629	K	27.5	Very low	31.3	Very low	71 Å²	71	104.3 Å²	104.3	31%	0.309	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	150.6	178	-143.6	168.8	-170.9	174.9	0	113.5	P624	P624-K629 WeakPolarHBondContact CD-O 3.28Å; P624-K629 HydrophobicContact CG-CB 4.49Å; P624-K629 WeakPolarHBondContact CG-O 3.17Å
630	W	34.1	Very low	30	Very low	66 Å²	66	107 Å²	107	25%	0.25	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.8	142	172.4	-68.7	103.1	0	0	0	110.2	L621	L621-W630 HydrophobicContact CB-CE3 4.37Å; L621-W630 HydrophobicContact CD2-CB 4.38Å
631	I	29.1	Very low	29.7	Very low	77 Å²	77	109.1 Å²	109.1	40%	0.395	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.8	124.9	180	-57.6	177.2	0	0	0	108.9	L621 E633 M645	L621-I631 WeakPolarHBondContact CD2-O 3.32Å; I631-E633 PolarHBondContact O-N 3.23Å; I631-M645 HydrophobicContact CG2-SD 4.34Å
632	L	30.9	Very low	29.5	Very low	109 Å²	109	112.5 Å²	112.5	57%	0.571	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.2	114	179	-170.1	75.8	0	0	0	110.2	K620 L621 N634 M645	K620-L632 HydrophobicContact CB-CD1 4.35Å; K620-L632 CarbonylContact O-C 3.56Å; L621-L632 HydrophobicContact CD2-CB 4.46Å; L621-L632 HydrophobicContact CD2-CD1 4.29Å; L621-L632 HydrophobicContact CG-CD1 4.3Å; L632-N634 PolarHBondContact O-N 2.88Å; L632-N634 VanDerWaalsContact O-N 3.14Å; L632-M645 WeakPolarHBondContact O-CE 3.46Å
633	E	25.6	Very low	29.4	Very low	69 Å²	69	115.3 Å²	115.3	32%	0.322	61%	0.612	S	S	.	*			trans	-80.6	95.9	-179.7	-174.5	172	-141.2	0	0	110.5	K620 K622 I631	K620-E633 WeakPolarHBondContact CB-O 3.49Å; K620-E633 PolarHBondContact O-N 2.8Å; K622-E633 WeakPolarHBondContact CD-OE1 3.35Å; K622-E633 VanDerWaalsContact CD-OE2 3.23Å; K622-E633 WeakPolarHBondContact CD-OE2 3.33Å; K622-E633 WeakPolarHBondContact CE-OE1 3.34Å; K622-E633 WeakPolarHBondContact CE-OE2 3.39Å; K622-E633 WeakPolarHBondContact CG-OE2 3.37Å; K622-E633 IonicContact NZ-OE1 2.68Å; K622-E633 PolarHBondContact NZ-OE1 3.31Å; K622-E633 IonicContact NZ-OE2 3.29Å; K622-E633 PolarHBondContact NZ-OE2 2.91Å; I631-E633 PolarHBondContact O-N 3.23Å
634	N	29.2	Very low	29.3	Very low	60 Å²	60	118.8 Å²	118.8	32%	0.321	63%	0.626	S	S	.	*			trans	-138.8	126.7	160.6	-147.3	67.6	0	0	0	110.5	K620 L632	K620-N634 WeakPolarHBondContact CD-OD1 3.23Å; K620-N634 WeakPolarHBondContact CE-OD1 3.49Å; K620-N634 PolarHBondContact NZ-OD1 2.92Å; L632-N634 PolarHBondContact O-N 2.88Å; L632-N634 VanDerWaalsContact O-N 3.14Å
635	D	27.5	Very low	29.2	Very low	126 Å²	126	121.7 Å²	121.7	67%	0.674	64%	0.637	S	S	*	*			trans	61.8	55.7	167.1	-46.6	-21.8	0	0	0	116.3	A637	D635-A637 PolarHBondContact O-N 3.31Å
636	I	27	Very low	28.5	Very low	168 Å²	168	117.9 Å²	117.9	86%	0.862	62%	0.615	S	S	*	*			trans	-72.4	70.7	148.2	-51.9	178.8	0	0	0	108
637	A	28	Very low	28.3	Very low	67 Å²	67	114.5 Å²	114.5	55%	0.554	60%	0.6	S	S	*	*	S	Bend	trans	-126.4	133	165.7	0	0	0	0	0	106.2	D635 V639	D635-A637 PolarHBondContact O-N 3.31Å; A637-V639 VanDerWaalsContact C-N 3.33Å; A637-V639 PolarHBondContact O-N 2.64Å
638	S	27.8	Very low	27.6	Very low	137 Å²	137	111.6 Å²	111.6	96%	0.958	58%	0.582	S	S	*	*			trans	-50.2	76.4	-163.3	43.3	0	0	0	0	116.7
639	V	25.7	Very low	27.1	Very low	117 Å²	117	113.3 Å²	113.3	71%	0.709	58%	0.583	S	S	*	*			trans	-108.1	132.7	173.7	172.8	0	0	0	0	109.6	A637	A637-V639 VanDerWaalsContact C-N 3.33Å; A637-V639 PolarHBondContact O-N 2.64Å
640	K	24.1	Very low	26.8	Very low	190 Å²	190	112.5 Å²	112.5	83%	0.826	58%	0.581	S	S	*	*			trans	-56.4	143.5	-175.3	-65.2	179.8	178.6	-179.9	0	111.8	D642	K640-D642 PolarHBondContact O-N 3.15Å
641	P	32.3	Very low	26.3	Very low	137 Å²	137	118.3 Å²	118.3	89%	0.89	61%	0.61	S	S	*	*	S	Bend	trans	-78.3	81.7	-163.5	32.1	-37.9	0	0	0	113.6
642	D	28.7	Very low	26	Very low	130 Å²	130	119.9 Å²	119.9	70%	0.695	62%	0.616	S	S	*	*			trans	-147.6	28.9	171.7	-157.6	16.8	0	0	0	114.6	K640	K640-D642 PolarHBondContact O-N 3.15Å
643	K	25.8	Very low	25.6	Very low	192 Å²	192	121.7 Å²	121.7	84%	0.835	63%	0.632	S	S	*	*			trans	-131.7	93.6	174.3	-70.9	-177.1	-178.3	170.5	0	110.8
644	F	24.8	Very low	25.6	Very low	184 Å²	184	123.5 Å²	123.5	81%	0.807	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-66.3	130.5	-173.6	-75.4	-105.4	0	0	0	113.4
645	M	24.9	Very low	25.4	Very low	100 Å²	100	125.3 Å²	125.3	49%	0.493	67%	0.668	S	S	.	*	P	Polyproline II helix	trans	-78.7	161.6	165.1	-78.4	-175.2	160.3	0	0	112.2	I631 L632	I631-M645 HydrophobicContact CG2-SD 4.34Å; L632-M645 WeakPolarHBondContact O-CE 3.46Å
646	E	23.4	Very low	25.4	Very low	106 Å²	106	124.1 Å²	124.1	50%	0.495	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-99.1	137.7	171.4	-166.9	154.3	-137.1	0	0	109.5	Q669	E646-Q669 WeakPolarHBondContact OE1-CB 3.42Å; E646-Q669 WeakPolarHBondContact OE1-CG 3.34Å; E646-Q669 PolarHBondContact OE1-N 3.06Å
647	F	24.6	Very low	25.4	Very low	105 Å²	105	121.4 Å²	121.4	46%	0.461	67%	0.666	S	S	.	*			trans	-106.8	123.3	-174.1	-72.1	-79.7	0	0	0	111.1	Y649	F647-Y649 HydrophobicContact CB-CD2 3.93Å; F647-Y649 HydrophobicContact CB-CE2 3.59Å; F647-Y649 HydrophobicContact CG-CE2 4.42Å; F647-Y649 WeakPolarHBondContact O-CD2 3.18Å; F647-Y649 PolarHBondContact O-N 2.7Å
648	V	24.3	Very low	25.5	Very low	71 Å²	71	126.4 Å²	126.4	43%	0.43	68%	0.683	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.6	118.5	165.2	-177.8	0	0	0	0	108.3
649	Y	23.6	Very low	25.4	Very low	98 Å²	98	123.1 Å²	123.1	38%	0.384	67%	0.67	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.9	123.1	171.9	-76.4	-94.8	0	0	0	108.9	F647 M664 K666	F647-Y649 HydrophobicContact CB-CD2 3.93Å; F647-Y649 HydrophobicContact CB-CE2 3.59Å; F647-Y649 HydrophobicContact CG-CE2 4.42Å; F647-Y649 WeakPolarHBondContact O-CD2 3.18Å; F647-Y649 PolarHBondContact O-N 2.7Å; Y649-M664 HydrophobicContact CD1-CE 4.5Å; Y649-M664 HydrophobicContact CD2-CE 3.67Å; Y649-M664 HydrophobicContact CE2-CE 3.87Å; Y649-M664 HydrophobicContact CE2-SD 4.41Å; Y649-M664 HydrophobicContact CG-CE 4Å; Y649-K666 PolarHBondContact OH-NZ 3.45Å; Y649-K666 VanDerWaalsContact OH-NZ 3.11Å
650	M	22.3	Very low	25.2	Very low	53 Å²	53	123.8 Å²	123.8	26%	0.261	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-83.4	139.9	160.1	-67.5	-90.3	84.1	0	0	107.8
651	H	21.7	Very low	25.2	Very low	188 Å²	188	126 Å²	126	87%	0.87	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-81.3	120	170.9	-132.5	-72.6	0	0	0	108.7	T653	H651-T653 PolarHBondContact O-N 2.92Å
652	E	23.9	Very low	24.7	Very low	111 Å²	111	127.8 Å²	127.8	52%	0.519	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-76.1	121.8	169.4	-74.1	176.1	-179.2	0	0	109.1	T628 C654	T628-E652 WeakPolarHBondContact CB-OE1 3.25Å; T628-E652 HydrophobicContact CG2-CG 3.94Å; T628-E652 WeakPolarHBondContact CG2-OE1 3.46Å; T628-E652 PolarHBondContact OG1-OE1 2.95Å; E652-C654 HydrophobicContact CB-CB 4.31Å; E652-C654 PolarHBondContact O-N 2.73Å; E652-C654 VanDerWaalsContact O-N 3.16Å
653	T	23.3	Very low	24.5	Very low	147 Å²	147	129.5 Å²	129.5	90%	0.902	69%	0.685	S	S	*	*			trans	-84.2	61.1	162.8	54.4	0	0	0	0	108.5	H651	H651-T653 PolarHBondContact O-N 2.92Å
654	C	25.4	Very low	24.6	Very low	107 Å²	107	125.7 Å²	125.7	72%	0.723	67%	0.671	S	S	*	*			trans	-78.8	137.4	-177.1	-152.8	0	0	0	0	110.8	E652	E652-C654 HydrophobicContact CB-CB 4.31Å; E652-C654 PolarHBondContact O-N 2.73Å; E652-C654 VanDerWaalsContact O-N 3.16Å
655	S	25.3	Very low	24.7	Very low	97 Å²	97	120.7 Å²	120.7	68%	0.678	66%	0.659	S	S	*	*			trans	-69.6	142	-177.7	-174.2	0	0	0	0	112.2
656	S	27.2	Very low	24.9	Very low	102 Å²	102	122.2 Å²	122.2	71%	0.713	66%	0.663	S	S	*	*	S	Bend	trans	46.3	77	147.3	62.4	0	0	0	0	118.3
657	S	26.6	Very low	25.2	Very low	111 Å²	111	123.5 Å²	123.5	78%	0.776	67%	0.667	S	S	*	*	S	Bend	trans	174.9	122	131.2	40.3	0	0	0	0	112.2	G659	S657-G659 VanDerWaalsContact C-N 3.32Å; S657-G659 PolarHBondContact O-N 2.95Å
658	N	29.2	Very low	25.3	Very low	172 Å²	172	122.6 Å²	122.6	92%	0.92	67%	0.671	S	S	*	*			trans	20	53.2	161.1	-61.5	0.4	0	0	0	118.9	T660	N658-T660 PolarHBondContact O-N 2.84Å
659	G	25.5	Very low	25.5	Very low	67 Å²	67	123.2 Å²	123.2	69%	0.691	67%	0.67	S	S	*	*			trans	-74.3	117.8	172	0	0	0	0	0	111.3	S657	S657-G659 VanDerWaalsContact C-N 3.32Å; S657-G659 PolarHBondContact O-N 2.95Å
660	T	21.4	Very low	25.6	Very low	132 Å²	132	121.8 Å²	121.8	81%	0.81	67%	0.668	S	S	*	*			trans	-71.1	143.2	176.6	42.6	0	0	0	0	112	N658 E662	N658-T660 PolarHBondContact O-N 2.84Å; T660-E662 PolarHBondContact O-N 2.86Å
661	Y	25.4	Very low	25.6	Very low	235 Å²	235	123 Å²	123	92%	0.922	68%	0.675	S	S	*	*			trans	-72.9	84.8	-178.6	-60.9	-85.7	0	0	0	112.3	L663	Y661-L663 PolarHBondContact O-N 2.93Å
662	E	22.4	Very low	25.8	Very low	176 Å²	176	118.6 Å²	118.6	82%	0.822	66%	0.661	S	S	*	*			trans	-66.5	99.9	163.8	-86.3	-140.9	133.5	0	0	110.3	T660 M664	T660-E662 PolarHBondContact O-N 2.86Å; E662-M664 PolarHBondContact O-N 3.43Å
663	L	23.8	Very low	25.8	Very low	165 Å²	165	117.9 Å²	117.9	86%	0.864	66%	0.657	S	S	*	*			trans	-62.6	102.6	176.5	-175.6	68.9	0	0	0	110.5	Y661 S665	Y661-L663 PolarHBondContact O-N 2.93Å; L663-S665 VanDerWaalsContact C-N 3.32Å; L663-S665 PolarHBondContact O-N 3.18Å
664	M	26.9	Very low	26	Very low	113 Å²	113	117.2 Å²	117.2	56%	0.557	64%	0.643	S	S	*	*			trans	-61.6	80.6	-176.5	-92.7	-81.8	-81.5	0	0	113.5	Y649 E662 K666	Y649-M664 HydrophobicContact CD1-CE 4.5Å; Y649-M664 HydrophobicContact CD2-CE 3.67Å; Y649-M664 HydrophobicContact CE2-CE 3.87Å; Y649-M664 HydrophobicContact CE2-SD 4.41Å; Y649-M664 HydrophobicContact CG-CE 4Å; E662-M664 PolarHBondContact O-N 3.43Å; M664-K666 PolarHBondContact O-N 3.09Å; M664-K666 HydrophobicContact SD-CD 4.29Å
665	S	28.1	Very low	26.1	Very low	79 Å²	79	119.2 Å²	119.2	55%	0.552	64%	0.642	S	S	*	*			trans	-72.1	6	179.6	62	0	0	0	0	114.9	L663 K667	L663-S665 VanDerWaalsContact C-N 3.32Å; L663-S665 PolarHBondContact O-N 3.18Å; S665-K667 PolarHBondContact O-N 2.69Å; S665-K667 VanDerWaalsContact O-N 3.08Å
666	K	29.5	Very low	26	Very low	131 Å²	131	116.8 Å²	116.8	57%	0.57	62%	0.624	S	S	*	*			trans	-85.5	85.6	-171	-68.8	176.7	-176.1	163.3	0	111.9	Y649 M664	Y649-K666 PolarHBondContact OH-NZ 3.45Å; Y649-K666 VanDerWaalsContact OH-NZ 3.11Å; M664-K666 PolarHBondContact O-N 3.09Å; M664-K666 HydrophobicContact SD-CD 4.29Å
667	K	28.9	Very low	26.1	Very low	134 Å²	134	119.7 Å²	119.7	58%	0.583	63%	0.626	S	S	*	*			trans	2.3	117.8	156	-52.9	163.6	-167.9	158.6	0	115.8	S665	S665-K667 PolarHBondContact O-N 2.69Å; S665-K667 VanDerWaalsContact O-N 3.08Å
668	P	26.4	Very low	26.5	Very low	85 Å²	85	125.7 Å²	125.7	55%	0.552	63%	0.632	S	S	*	*			trans	-64	138.6	152.1	27.6	-34.6	0	0	0	110.1
669	Q	27.7	Very low	26.6	Very low	85 Å²	85	121 Å²	121	40%	0.397	63%	0.625	S	S	.	*			trans	-91.2	129.7	165.8	-65.4	-165.1	75.2	0	0	111.6	E646 I671	E646-Q669 WeakPolarHBondContact OE1-CB 3.42Å; E646-Q669 WeakPolarHBondContact OE1-CG 3.34Å; E646-Q669 PolarHBondContact OE1-N 3.06Å; Q669-I671 PolarHBondContact O-N 3.15Å
670	I	26.4	Very low	27	Very low	67 Å²	67	124.3 Å²	124.3	34%	0.344	62%	0.62	S	S	.	*			trans	-73.8	115.5	164.1	-59.2	173.8	0	0	0	106.9	T672	I670-T672 PolarHBondContact O-N 3.33Å
671	I	23.5	Very low	27.3	Very low	80 Å²	80	122.2 Å²	122.2	41%	0.41	60%	0.601	S	S	.	*			trans	-67.7	126.3	177.1	-60.7	175.6	0	0	0	108.3	Q669 H691	Q669-I671 PolarHBondContact O-N 3.15Å; I671-H691 HydrophobicContact CD1-CB 4.26Å
672	T	26	Very low	27.7	Very low	94 Å²	94	119.4 Å²	119.4	58%	0.577	59%	0.594	S	S	*	*			trans	-149.6	139.9	173.4	-32.6	0	0	0	0	110.7	I670 Q674	I670-T672 PolarHBondContact O-N 3.33Å; T672-Q674 PolarHBondContact O-N 3.24Å
673	F	23.3	Very low	28.1	Very low	97 Å²	97	116.6 Å²	116.6	43%	0.425	58%	0.581	S	S	.	*			trans	-56.1	117.6	-172.8	-62	-94.2	0	0	0	113	K685 A688 H692	F673-K685 HydrophobicContact CE1-CG 4.34Å; F673-A688 HydrophobicContact CD1-CB 4.22Å; F673-A688 HydrophobicContact CE1-CB 3.32Å; F673-A688 HydrophobicContact CE2-CB 4.24Å; F673-A688 HydrophobicContact CZ-CB 3.33Å; F673-H692 AromaticContact CE2-NE2 3.59Å; F673-H692 AromaticContact CZ-NE2 3.76Å
674	Q	27.3	Very low	28.3	Very low	132 Å²	132	114.2 Å²	114.2	62%	0.617	56%	0.563	S	S	*	*			trans	-81.3	131	156.8	-70.6	-165.4	-35.1	0	0	109.2	T672 C676	T672-Q674 PolarHBondContact O-N 3.24Å; Q674-C676 PolarHBondContact O-N 3.47Å
675	Q	26.2	Very low	28.5	Very low	150 Å²	150	113.5 Å²	113.5	70%	0.701	56%	0.557	S	S	*	*			trans	-57.6	104	155.5	-60.1	142.1	-55.2	0	0	107.8
676	C	24.9	Very low	28.6	Very low	45 Å²	45	118.3 Å²	118.3	30%	0.304	56%	0.563	S	S	.	*			trans	-77.1	163.9	148.8	-61.6	0	0	0	0	108.4	Q674 K680	Q674-C676 PolarHBondContact O-N 3.47Å; C676-K680 HydrophobicContact CB-CB 3.76Å; C676-K680 HydrophobicContact CB-CD 4.48Å
677	E	28.4	Very low	28.6	Very low	163 Å²	163	116.8 Å²	116.8	76%	0.762	56%	0.557	S	S	*	*			trans	-57.1	153.2	174.9	-59.7	98.3	170.7	0	0	111.7	G679 K680	E677-G679 PolarHBondContact O-N 3.29Å; E677-K680 PolarHBondContact O-N 3.4Å
678	R	35.3	Very low	28.8	Very low	237 Å²	237	110.8 Å²	110.8	89%	0.894	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-19.1	-161.1	-73.7	178.2	170	169	-4.6	116.3
679	G	31.4	Very low	29.2	Very low	75 Å²	75	114.8 Å²	114.8	77%	0.773	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-36.6	173.4	0	0	0	0	0	115.6	E677	E677-G679 PolarHBondContact O-N 3.29Å
680	K	33.4	Very low	29.7	Very low	135 Å²	135	114.2 Å²	114.2	59%	0.587	54%	0.535	S	S	*	.	S	Bend	trans	-88	-5.9	-171.4	-74.5	-178.6	178.6	175.3	0	114.8	C676 E677 K682 E683 F684	C676-K680 HydrophobicContact CB-CB 3.76Å; C676-K680 HydrophobicContact CB-CD 4.48Å; E677-K680 PolarHBondContact O-N 3.4Å; K680-K682 VanDerWaalsContact C-N 3.32Å; K680-K682 PolarHBondContact O-N 3.33Å; K680-E683 PolarHBondContact O-N 2.87Å; K680-F684 PolarHBondContact O-N 3.3Å
681	E	28.6	Very low	30.6	Very low	88 Å²	88	114.3 Å²	114.3	41%	0.411	53%	0.534	S	S	.	.	H	α-helix	trans	-63	-34.7	-173.3	-151.1	-170	166.6	0	0	113.3	E683 K685	E681-E683 PolarHBondContact O-N 3.06Å; E681-K685 HydrophobicContact CG-CD 4.14Å; E681-K685 VanDerWaalsContact O-CB 3.28Å; E681-K685 WeakPolarHBondContact O-CB 3.15Å; E681-K685 WeakPolarHBondContact O-CG 3.49Å; E681-K685 PolarHBondContact O-N 2.94Å; E681-K685 WeakPolarHBondContact OE1-CE 3.16Å; E681-K685 IonicContact OE1-NZ 2.62Å; E681-K685 PolarHBondContact OE1-NZ 2.89Å
682	K	33.1	Very low	31.9	Very low	177 Å²	177	113.5 Å²	113.5	77%	0.77	53%	0.529	S	S	*	.	H	α-helix	trans	-69.1	-27	-179.8	-70	-178.8	179.5	176.3	0	113.7	K680 R686	K680-K682 VanDerWaalsContact C-N 3.32Å; K680-K682 PolarHBondContact O-N 3.33Å; K682-R686 WeakPolarHBondContact O-CG 3.36Å
683	E	30.4	Very low	33.9	Very low	117 Å²	117	114.2 Å²	114.2	55%	0.547	53%	0.529	S	S	.	.	H	α-helix	trans	-81.6	-46.8	174.8	-70.1	-131.8	120.5	0	0	111.5	K680 E681 K685 R686 F687	K680-E683 PolarHBondContact O-N 2.87Å; E681-E683 PolarHBondContact O-N 3.06Å; E683-K685 VanDerWaalsContact C-N 3.33Å; E683-K685 PolarHBondContact O-N 3.42Å; E683-R686 WeakPolarHBondContact O-CA 3.34Å; E683-R686 WeakPolarHBondContact O-CB 3.49Å; E683-R686 PolarHBondContact O-N 2.8Å; E683-F687 VanDerWaalsContact O-CD2 3.32Å; E683-F687 WeakPolarHBondContact O-CD2 3.5Å; E683-F687 PolarHBondContact O-N 3.34Å
684	F	29.1	Very low	36	Very low	114 Å²	114	110.8 Å²	110.8	50%	0.5	52%	0.515	S	S	.	.	H	α-helix	trans	-65.1	-34.5	178.1	-97.4	-81.9	0	0	0	112.9	K680 R686 F687 A688	K680-F684 PolarHBondContact O-N 3.3Å; F684-R686 PolarHBondContact O-N 3.18Å; F684-F687 PolarHBondContact O-N 2.78Å; F684-A688 WeakPolarHBondContact O-CB 3.37Å; F684-A688 PolarHBondContact O-N 2.89Å
685	K	30	Very low	38.3	Very low	98 Å²	98	107.1 Å²	107.1	43%	0.426	50%	0.499	S	S	.	.	H	α-helix	trans	-63	-19.2	169.4	-78.8	175.1	167.5	170.4	0	113.8	F673 E681 E683 R689	F673-K685 HydrophobicContact CE1-CG 4.34Å; E681-K685 HydrophobicContact CG-CD 4.14Å; E681-K685 VanDerWaalsContact O-CB 3.28Å; E681-K685 WeakPolarHBondContact O-CB 3.15Å; E681-K685 WeakPolarHBondContact O-CG 3.49Å; E681-K685 PolarHBondContact O-N 2.94Å; E681-K685 WeakPolarHBondContact OE1-CE 3.16Å; E681-K685 IonicContact OE1-NZ 2.62Å; E681-K685 PolarHBondContact OE1-NZ 2.89Å; E683-K685 VanDerWaalsContact C-N 3.33Å; E683-K685 PolarHBondContact O-N 3.42Å; K685-R689 VanDerWaalsContact O-CD 3.28Å; K685-R689 WeakPolarHBondContact O-CD 3.4Å; K685-R689 VanDerWaalsContact O-CG 3.26Å; K685-R689 WeakPolarHBondContact O-CG 3.48Å
686	R	31	Very low	40.6	Very low	180 Å²	180	101.4 Å²	101.4	68%	0.679	47%	0.473	S	S	*	.	H	α-helix	trans	-87.2	-46.7	170.1	-73.5	174.3	169.8	173.4	-2	112.1	K682 E683 F684 R689 I690	K682-R686 WeakPolarHBondContact O-CG 3.36Å; E683-R686 WeakPolarHBondContact O-CA 3.34Å; E683-R686 WeakPolarHBondContact O-CB 3.49Å; E683-R686 PolarHBondContact O-N 2.8Å; F684-R686 PolarHBondContact O-N 3.18Å; R686-R689 PolarHBondContact O-N 2.88Å; R686-I690 WeakPolarHBondContact O-CG1 3.42Å; R686-I690 PolarHBondContact O-N 2.82Å
687	F	29.9	Very low	43.2	Very low	99 Å²	99	102.7 Å²	102.7	43%	0.434	48%	0.481	S	S	.	.	H	α-helix	trans	-66.5	-40.5	-177.8	-76.6	-70.1	0	0	0	113.5	E683 F684 I690	E683-F687 VanDerWaalsContact O-CD2 3.32Å; E683-F687 WeakPolarHBondContact O-CD2 3.5Å; E683-F687 PolarHBondContact O-N 3.34Å; F684-F687 PolarHBondContact O-N 2.78Å; F687-I690 PolarHBondContact O-N 3.18Å
688	A	31.6	Very low	45.7	Very low	9 Å²	9	95.8 Å²	95.8	7%	0.074	45%	0.449	C	S	.	.	H	α-helix	trans	-65.6	-40.6	177.8	0	0	0	0	0	112.5	F673 F684 I690 H691 H692	F673-A688 HydrophobicContact CD1-CB 4.22Å; F673-A688 HydrophobicContact CE1-CB 3.32Å; F673-A688 HydrophobicContact CE2-CB 4.24Å; F673-A688 HydrophobicContact CZ-CB 3.33Å; F684-A688 WeakPolarHBondContact O-CB 3.37Å; F684-A688 PolarHBondContact O-N 2.89Å; A688-I690 PolarHBondContact O-N 2.88Å; A688-H691 PolarHBondContact O-N 3.27Å; A688-H692 VanDerWaalsContact C-CD2 3.46Å; A688-H692 PolarHBondContact O-CD2 2.82Å; A688-H692 PolarHBondContact O-N 2.78Å
689	R	35.3	Very low	47.9	Very low	168 Å²	168	88.1 Å²	88.1	63%	0.634	43%	0.43	S	S	*	.	H	α-helix	trans	-57.8	-32	175.5	-74.3	-179.5	-175.1	-165.6	-0.4	112.9	K685 R686 H691 H692 D693	K685-R689 VanDerWaalsContact O-CD 3.28Å; K685-R689 WeakPolarHBondContact O-CD 3.4Å; K685-R689 VanDerWaalsContact O-CG 3.26Å; K685-R689 WeakPolarHBondContact O-CG 3.48Å; R686-R689 PolarHBondContact O-N 2.88Å; R689-H691 PolarHBondContact O-N 2.93Å; R689-H692 PolarHBondContact O-N 2.82Å; R689-D693 PolarHBondContact O-N 2.99Å
690	I	39.4	Very low	50.5	Low	73 Å²	73	84.7 Å²	84.7	37%	0.374	39%	0.394	S	S	.	.	H	α-helix	trans	-68.4	-21.9	176.5	-65.2	164.8	0	0	0	112.4	R686 F687 A688	R686-I690 WeakPolarHBondContact O-CG1 3.42Å; R686-I690 PolarHBondContact O-N 2.82Å; F687-I690 PolarHBondContact O-N 3.18Å; A688-I690 PolarHBondContact O-N 2.88Å
691	H	44.8	Very low	53	Low	69 Å²	69	81.3 Å²	81.3	32%	0.319	38%	0.382	S	S	.	.	H	α-helix	trans	-96.2	-27.2	173.3	-76.3	-97.9	0	0	0	113.7	R545 F616 I671 A688 R689	R545-H691 PolarHBondContact NH2-O 3.09Å; F616-H691 AromaticContact CE1-CE1 3.39Å; F616-H691 WeakPolarHBondContact CE1-CE1 3.44Å; F616-H691 AromaticContact CE1-ND1 3.98Å; F616-H691 AromaticContact CE1-NE2 3.54Å; F616-H691 AromaticContact CZ-CE1 3.64Å; I671-H691 HydrophobicContact CD1-CB 4.26Å; A688-H691 PolarHBondContact O-N 3.27Å; R689-H691 PolarHBondContact O-N 2.93Å
692	H	51.2	Low	55.6	Low	63 Å²	63	77.2 Å²	77.2	29%	0.292	36%	0.363	S	S	.	.	H	α-helix	trans	-71.2	-52.2	-178.2	-71	-52.4	0	0	0	111.7	R545 F673 A688 R689 L694	R545-H692 PolarHBondContact NH1-O 3.42Å; F673-H692 AromaticContact CE2-NE2 3.59Å; F673-H692 AromaticContact CZ-NE2 3.76Å; A688-H692 VanDerWaalsContact C-CD2 3.46Å; A688-H692 PolarHBondContact O-CD2 2.82Å; A688-H692 PolarHBondContact O-N 2.78Å; R689-H692 PolarHBondContact O-N 2.82Å; H692-L694 PolarHBondContact O-N 3.06Å
693	D	67.4	Low	57.8	Low	110 Å²	110	69 Å²	69	59%	0.588	33%	0.328	S	S	*	.	S	Bend	trans	-88.2	103.1	-170.9	-53.1	-26.6	0	0	0	110.5	R689 L695	R689-D693 PolarHBondContact O-N 2.99Å; D693-L695 PolarHBondContact O-N 2.9Å
694	L	67.6	Low	59.6	Low	25 Å²	25	65.5 Å²	65.5	13%	0.131	32%	0.315	C	S	.	.			trans	-60.5	125.1	171	-74.8	177.4	0	0	0	109.7	V543 R545 N610 V614 H692 P697	V543-L694 HydrophobicContact CB-CD2 4.01Å; V543-L694 HydrophobicContact CG1-CD2 4.25Å; R545-L694 HydrophobicContact CB-CD1 3.91Å; N610-L694 HydrophobicContact CB-CD1 4.11Å; V614-L694 HydrophobicContact CG2-CD2 4.02Å; H692-L694 PolarHBondContact O-N 3.06Å; L694-P697 HydrophobicContact CB-CB 4.3Å; L694-P697 WeakPolarHBondContact O-CD 3.13Å
695	L	74.9	Confident	61.1	Low	55 Å²	55	62.1 Å²	62.1	29%	0.288	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	132	174.2	-54.2	175.6	0	0	0	109.1	L504 L613 D693	L504-L695 HydrophobicContact CB-CD1 4.35Å; L504-L695 HydrophobicContact CD1-CD1 4.48Å; L613-L695 HydrophobicContact CB-CB 4.27Å; L613-L695 PolarHBondContact N-O 2.86Å; L613-L695 VanDerWaalsContact O-CB 3.3Å; L613-L695 WeakPolarHBondContact O-CB 3.47Å; L613-L695 PolarHBondContact O-N 3.11Å; D693-L695 PolarHBondContact O-N 2.9Å
696	L	75.3	Confident	62.1	Low	29 Å²	29	58.6 Å²	58.6	15%	0.152	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52.3	60	-176.2	-53.5	179.6	0	0	0	113.3	C233 C441 L443 L460 L504 L613 I698	C233-L696 HydrophobicContact CB-CD2 3.76Å; C441-L696 WeakPolarHBondContact O-CD1 3.47Å; L443-L696 HydrophobicContact CB-CB 4.1Å; L443-L696 HydrophobicContact CB-CD1 3.95Å; L443-L696 HydrophobicContact CD2-CB 4.49Å; L443-L696 WeakPolarHBondContact CD2-O 3.48Å; L460-L696 HydrophobicContact CD1-CD1 4.47Å; L504-L696 HydrophobicContact CD2-CD1 3.59Å; L504-L696 HydrophobicContact CD2-CG 4.07Å; L613-L696 HydrophobicContact CD1-CD1 4.34Å; L696-I698 PolarHBondContact O-N 2.86Å
697	P	78.7	Confident	62.8	Low	73 Å²	73	59.3 Å²	59.3	47%	0.474	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	125.7	179	30.6	-32.6	0	0	0	110.9	L611 L694	L611-P697 CarbonylContact O-C 3.55Å; L611-P697 WeakPolarHBondContact O-CA 3.4Å; L694-P697 HydrophobicContact CB-CB 4.3Å; L694-P697 WeakPolarHBondContact O-CD 3.13Å
698	I	80.8	Confident	63.3	Low	17 Å²	17	62.2 Å²	62.2	9%	0.087	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.5	173.5	-60.7	177	0	0	0	107.8	L443 V445 R448 L611 L696	L443-I698 HydrophobicContact CB-CD1 4.16Å; L443-I698 HydrophobicContact CD2-CD1 3.72Å; L443-I698 HydrophobicContact CD2-CG1 4.2Å; L443-I698 HydrophobicContact CG-CD1 3.71Å; V445-I698 HydrophobicContact CG1-CD1 4.12Å; V445-I698 HydrophobicContact CG2-CD1 4.43Å; V445-I698 HydrophobicContact CG2-CG2 4.28Å; R448-I698 HydrophobicContact CG-CG2 4.29Å; L611-I698 PolarHBondContact N-O 2.69Å; L611-I698 PolarHBondContact O-N 3.17Å; L696-I698 PolarHBondContact O-N 2.86Å
699	P	82.8	Confident	63.8	Low	76 Å²	76	66.7 Å²	66.7	49%	0.494	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	137.8	174.1	28.6	-33.8	0	0	0	110.5
700	I	84.6	Confident	63.8	Low	3 Å²	3	63.3 Å²	63.3	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.8	177.6	-76.7	-174.4	0	0	0	109.5	L450 L456 L544 Y609 L611 V702	L450-I700 HydrophobicContact CD1-CD1 3.91Å; L450-I700 HydrophobicContact CD1-CG1 4.32Å; L450-I700 HydrophobicContact CD1-CG2 3.74Å; L456-I700 HydrophobicContact CD1-CD1 3.7Å; L544-I700 HydrophobicContact CD1-CD1 4.2Å; Y609-I700 PolarHBondContact O-N 3.18Å; L611-I700 HydrophobicContact CB-CD1 3.65Å; L611-I700 HydrophobicContact CB-CG1 4.27Å; L611-I700 HydrophobicContact CD2-CD1 4.12Å; L611-I700 HydrophobicContact CG-CD1 4.31Å; I700-V702 HydrophobicContact CG2-CG2 3.93Å
701	I	85.5	Confident	63.6	Low	65 Å²	65	63.9 Å²	63.9	33%	0.333	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	102	172.7	-58.9	172.3	0	0	0	107.5	R448 Q449 L450	R448-I701 PolarHBondContact O-N 2.85Å; Q449-I701 WeakPolarHBondContact CA-O 3.38Å; Q449-I701 HydrophobicContact CG-CB 4.32Å; Q449-I701 HydrophobicContact CG-CD1 4.35Å; L450-I701 PolarHBondContact N-O 2.92Å
702	V	83.6	Confident	63.1	Low	2 Å²	2	70.7 Å²	70.7	1%	0.012	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.9	165.5	-174.5	0	0	0	0	109.1	L450 P452 L594 P596 T597 Y609 I700	L450-V702 VanDerWaalsContact O-CA 3.31Å; L450-V702 WeakPolarHBondContact O-CA 3.44Å; P452-V702 HydrophobicContact CG-CG1 4.37Å; L594-V702 HydrophobicContact CB-CG1 4.39Å; P596-V702 WeakPolarHBondContact CA-O 3.4Å; T597-V702 WeakPolarHBondContact CB-O 3.35Å; T597-V702 PolarHBondContact N-O 2.81Å; T597-V702 PolarHBondContact OG1-N 2.88Å; T597-V702 PolarHBondContact OG1-O 3.02Å; Y609-V702 HydrophobicContact CD2-CB 3.92Å; Y609-V702 HydrophobicContact CD2-CG2 3.5Å; Y609-V702 HydrophobicContact CE2-CB 3.85Å; Y609-V702 HydrophobicContact CE2-CG2 3.8Å; Y609-V702 HydrophobicContact CG-CG2 3.94Å; I700-V702 HydrophobicContact CG2-CG2 3.93Å
703	G	80.7	Confident	62.1	Low	4 Å²	4	72.5 Å²	72.5	4%	0.041	37%	0.367	C	S	.	.			trans	-158.5	-152.6	179.7	0	0	0	0	0	112.5	L450 P452	L450-G703 PolarHBondContact O-N 3.12Å; P452-G703 WeakPolarHBondContact CD-O 3.16Å
704	T	68.6	Low	60.2	Low	43 Å²	43	76 Å²	76	26%	0.264	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-135.8	152.6	178.2	56.4	0	0	0	0	111.5	K218 T219 I220 I221 N451	K218-T704 WeakPolarHBondContact CA-OG1 3.38Å; T219-T704 PolarHBondContact N-OG1 2.77Å; T219-T704 VanDerWaalsContact N-OG1 3.12Å; T219-T704 CarbonylContact O-C 3.59Å; T219-T704 PolarHBondContact O-N 2.84Å; T219-T704 PolarHBondContact O-OG1 3.29Å; I220-T704 WeakPolarHBondContact CA-O 3.41Å; I221-T704 PolarHBondContact N-O 2.95Å; N451-T704 WeakPolarHBondContact OD1-CA 3.34Å
705	T	59.9	Low	58.4	Low	43 Å²	43	81.4 Å²	81.4	26%	0.264	41%	0.407	S	S	.	.			trans	-91.8	145.3	162.8	39.5	0	0	0	0	109.9	N451	N451-T705 PolarHBondContact ND2-OG1 2.83Å; N451-T705 PolarHBondContact OD1-N 2.84Å
706	D	51.4	Low	56.1	Low	24 Å²	24	85.6 Å²	85.6	13%	0.128	43%	0.425	C	S	.	.			trans	-79.9	137	164.4	-172.2	38.7	0	0	0	110.7	K218 I220 Q708 I709	K218-D706 WeakPolarHBondContact CD-OD1 3.21Å; K218-D706 WeakPolarHBondContact CE-OD1 3.44Å; K218-D706 IonicContact NZ-OD1 3.95Å; K218-D706 PolarHBondContact NZ-OD1 2.76Å; I220-D706 HydrophobicContact CD1-CB 4.38Å; I220-D706 HydrophobicContact CG1-CB 4.35Å; D706-Q708 PolarHBondContact O-N 2.83Å; D706-Q708 WeakPolarHBondContact OD2-CB 3.36Å; D706-Q708 WeakPolarHBondContact OD2-CG 3.16Å; D706-I709 PolarHBondContact O-N 3.3Å
707	R	44.4	Very low	53.9	Low	195 Å²	195	90.2 Å²	90.2	74%	0.736	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-68.5	-17.7	-174.9	-72.1	-170.3	166	166.9	-3.7	113.4	I709 E710	R707-I709 PolarHBondContact O-N 3.34Å; R707-I709 VanDerWaalsContact O-N 3.15Å; R707-E710 WeakPolarHBondContact O-CB 3.34Å; R707-E710 PolarHBondContact O-N 3.1Å
708	Q	41.4	Very low	51.3	Low	160 Å²	160	92.5 Å²	92.5	75%	0.748	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-64.4	-15.6	176.9	-64.6	-167.4	-8.1	0	0	113.6	D706 S711	D706-Q708 PolarHBondContact O-N 2.83Å; D706-Q708 WeakPolarHBondContact OD2-CB 3.36Å; D706-Q708 WeakPolarHBondContact OD2-CG 3.16Å; Q708-S711 PolarHBondContact O-OG 2.9Å; Q708-S711 VanDerWaalsContact O-OG 3.06Å
709	I	41.3	Very low	48.6	Very low	104 Å²	104	101.3 Å²	101.3	53%	0.533	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-91.3	-16.9	175.8	-58.4	176.2	0	0	0	111.9	D706 R707 S711 Y712	D706-I709 PolarHBondContact O-N 3.3Å; R707-I709 PolarHBondContact O-N 3.34Å; R707-I709 VanDerWaalsContact O-N 3.15Å; I709-S711 VanDerWaalsContact C-N 3.32Å; I709-S711 PolarHBondContact O-N 2.73Å; I709-Y712 PolarHBondContact O-N 3.02Å
710	E	36.7	Very low	46	Very low	96 Å²	96	103.2 Å²	103.2	45%	0.449	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-72.2	-25.7	-179.1	-63.9	178.6	169.7	0	0	112.2	R707 Y712 N713	R707-E710 WeakPolarHBondContact O-CB 3.34Å; R707-E710 PolarHBondContact O-N 3.1Å; E710-Y712 VanDerWaalsContact C-N 3.31Å; E710-Y712 PolarHBondContact O-N 2.83Å; E710-N713 PolarHBondContact O-N 2.87Å
711	S	35	Very low	43.3	Very low	86 Å²	86	107.2 Å²	107.2	60%	0.601	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-64	-30.8	174.8	54.8	0	0	0	0	113.7	Q708 I709	Q708-S711 PolarHBondContact O-OG 2.9Å; Q708-S711 VanDerWaalsContact O-OG 3.06Å; I709-S711 VanDerWaalsContact C-N 3.32Å; I709-S711 PolarHBondContact O-N 2.73Å
712	Y	34	Very low	40.7	Very low	211 Å²	211	108 Å²	108	83%	0.827	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-92.7	-2.5	178.5	-102.9	-79.7	0	0	0	114.1	I709 E710	I709-Y712 PolarHBondContact O-N 3.02Å; E710-Y712 VanDerWaalsContact C-N 3.31Å; E710-Y712 PolarHBondContact O-N 2.83Å
713	N	30.3	Very low	38.3	Very low	101 Å²	101	113.6 Å²	113.6	54%	0.54	60%	0.596	S	S	.	*			trans	-135.9	43.1	-176.9	-72.5	-89.4	0	0	0	112.6	E710 I715	E710-N713 PolarHBondContact O-N 2.87Å; N713-I715 PolarHBondContact O-N 2.9Å
714	Q	26.9	Very low	36	Very low	184 Å²	184	120.1 Å²	120.1	86%	0.86	63%	0.629	S	S	*	*			trans	-73.2	58.6	155.4	-68.6	-167.2	-1.1	0	0	110.8
715	I	30.2	Very low	34.3	Very low	138 Å²	138	120.4 Å²	120.4	71%	0.708	63%	0.628	S	S	*	*			trans	-86.1	127.1	157.2	-60.9	178.9	0	0	0	105.6	N713	N713-I715 PolarHBondContact O-N 2.9Å
716	E	26.4	Very low	33	Very low	143 Å²	143	120.3 Å²	120.3	67%	0.668	63%	0.629	S	S	*	*			trans	-50.2	149.7	-177.1	-62.3	177.7	119.5	0	0	112.6	Q718	E716-Q718 HydrophobicContact CB-CG 3.93Å; E716-Q718 PolarHBondContact O-N 2.86Å; E716-Q718 PolarHBondContact OE2-NE2 2.84Å
717	S	27.9	Very low	31.8	Very low	126 Å²	126	123.1 Å²	123.1	88%	0.881	65%	0.651	S	S	*	*			trans	-74.3	56.6	169.5	61.6	0	0	0	0	111.9
718	Q	25	Very low	31.1	Very low	122 Å²	122	118 Å²	118	57%	0.57	64%	0.641	S	S	*	*			trans	-57.8	147	170	-61.8	-174	-1.5	0	0	109.4	E716 T720	E716-Q718 HydrophobicContact CB-CG 3.93Å; E716-Q718 PolarHBondContact O-N 2.86Å; E716-Q718 PolarHBondContact OE2-NE2 2.84Å; Q718-T720 PolarHBondContact O-N 2.91Å; Q718-T720 PolarHBondContact O-OG1 3.4Å
719	Q	25	Very low	30.4	Very low	202 Å²	202	117.4 Å²	117.4	94%	0.944	64%	0.636	S	S	*	*			trans	-77.7	54.8	-174.1	-60.7	-177.3	5.9	0	0	112.3	A721	Q719-A721 PolarHBondContact O-N 3.16Å
720	T	26.4	Very low	29.7	Very low	115 Å²	115	118 Å²	118	71%	0.706	64%	0.635	S	S	*	*			trans	-66.6	100.2	173.9	25.8	0	0	0	0	109.9	Q718 C722	Q718-T720 PolarHBondContact O-N 2.91Å; Q718-T720 PolarHBondContact O-OG1 3.4Å; T720-C722 PolarHBondContact O-N 2.97Å
721	A	28	Very low	29.2	Very low	87 Å²	87	118 Å²	118	72%	0.719	64%	0.636	S	S	*	*			trans	-59.7	110.4	167.3	0	0	0	0	0	108.7	Q719 P723	Q719-A721 PolarHBondContact O-N 3.16Å; A721-P723 WeakPolarHBondContact O-CD 3.43Å
722	C	31.2	Very low	28.6	Very low	83 Å²	83	119.5 Å²	119.5	56%	0.561	63%	0.634	S	S	*	*			trans	-53.2	108	-170.1	-60	0	0	0	0	112.4	T720 L724 M725	T720-C722 PolarHBondContact O-N 2.97Å; C722-L724 PolarHBondContact O-N 3.27Å; C722-M725 PolarHBondContact O-N 2.84Å
723	P	33.7	Very low	28.3	Very low	119 Å²	119	112.6 Å²	112.6	77%	0.773	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-18.6	179.7	-17.5	32.8	0	0	0	112.1	A721 M725	A721-P723 WeakPolarHBondContact O-CD 3.43Å; P723-M725 PolarHBondContact O-N 2.95Å
724	L	31.8	Very low	28.1	Very low	140 Å²	140	112 Å²	112	73%	0.733	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	3	-178.4	-125.6	76	0	0	0	114.9	C722 S726	C722-L724 PolarHBondContact O-N 3.27Å; L724-S726 PolarHBondContact O-N 2.84Å
725	M	32.8	Very low	28.3	Very low	50 Å²	50	110.3 Å²	110.3	25%	0.246	61%	0.605	C	S	.	*	S	Bend	trans	-72.5	68	159.8	-72.5	-96.3	74.8	0	0	109.3	T444 C459 C722 P723	T444-M725 WeakPolarHBondContact OG1-CE 3.36Å; C459-M725 HydrophobicContact CB-SD 3.96Å; C722-M725 PolarHBondContact O-N 2.84Å; P723-M725 PolarHBondContact O-N 2.95Å
726	S	32.3	Very low	28.4	Very low	40 Å²	40	104.2 Å²	104.2	28%	0.28	57%	0.574	S	S	.	*			trans	13.5	114.3	177.5	63	0	0	0	0	116.7	L724 V728	L724-S726 PolarHBondContact O-N 2.84Å; S726-V728 PolarHBondContact O-N 2.93Å
727	S	27.3	Very low	28.6	Very low	83 Å²	83	104.5 Å²	104.5	58%	0.58	57%	0.574	S	S	*	*			trans	-31.3	107.2	173.2	52.9	0	0	0	0	113	F729	S727-F729 WeakPolarHBondContact O-CD2 3.39Å; S727-F729 WeakPolarHBondContact O-CE2 3.13Å; S727-F729 PolarHBondContact O-N 3.47Å; S727-F729 WeakPolarHBondContact OG-CE2 3.42Å; S727-F729 WeakPolarHBondContact OG-CZ 3.41Å
728	V	29.4	Very low	28.9	Very low	88 Å²	88	107 Å²	107	53%	0.533	57%	0.572	S	S	.	*			trans	-72.2	101.4	176.6	178.5	0	0	0	0	107.2	S726 F730	S726-V728 PolarHBondContact O-N 2.93Å; V728-F730 HydrophobicContact CB-CE1 4.4Å; V728-F730 HydrophobicContact CB-CE2 4.29Å; V728-F730 HydrophobicContact CB-CZ 4.09Å; V728-F730 HydrophobicContact CG1-CD1 4.08Å; V728-F730 HydrophobicContact CG1-CE1 3.77Å; V728-F730 HydrophobicContact CG1-CE2 4.44Å; V728-F730 HydrophobicContact CG1-CZ 3.97Å; V728-F730 WeakPolarHBondContact O-CD2 3.28Å; V728-F730 WeakPolarHBondContact O-CE2 3.34Å; V728-F730 PolarHBondContact O-N 3.22Å
729	F	26.8	Very low	29.5	Very low	148 Å²	148	106 Å²	106	65%	0.649	57%	0.569	S	S	*	*			trans	-68.3	99.2	177.3	-68	-81.1	0	0	0	109.6	S727 M731	S727-F729 WeakPolarHBondContact O-CD2 3.39Å; S727-F729 WeakPolarHBondContact O-CE2 3.13Å; S727-F729 PolarHBondContact O-N 3.47Å; S727-F729 WeakPolarHBondContact OG-CE2 3.42Å; S727-F729 WeakPolarHBondContact OG-CZ 3.41Å; F729-M731 PolarHBondContact O-N 2.87Å; F729-M731 VanDerWaalsContact O-N 3.13Å
730	F	26.8	Very low	29.6	Very low	117 Å²	117	99.3 Å²	99.3	51%	0.513	56%	0.555	S	S	.	*			trans	-78.1	93.1	-180	-62.9	-74.9	0	0	0	110.8	R582 V728 Q732	R582-F730 HydrophobicContact CB-CE1 4.37Å; R582-F730 HydrophobicContact CG-CD1 4Å; R582-F730 HydrophobicContact CG-CE1 4.19Å; V728-F730 HydrophobicContact CB-CE1 4.4Å; V728-F730 HydrophobicContact CB-CE2 4.29Å; V728-F730 HydrophobicContact CB-CZ 4.09Å; V728-F730 HydrophobicContact CG1-CD1 4.08Å; V728-F730 HydrophobicContact CG1-CE1 3.77Å; V728-F730 HydrophobicContact CG1-CE2 4.44Å; V728-F730 HydrophobicContact CG1-CZ 3.97Å; V728-F730 WeakPolarHBondContact O-CD2 3.28Å; V728-F730 WeakPolarHBondContact O-CE2 3.34Å; V728-F730 PolarHBondContact O-N 3.22Å; F730-Q732 PolarHBondContact O-N 2.8Å
731	M	25.8	Very low	29.6	Very low	94 Å²	94	95.8 Å²	95.8	46%	0.463	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-66.5	125.6	167.9	-165.1	163.5	147.3	0	0	109.6	P467 F468 F729	P467-M731 HydrophobicContact CG-CE 3.67Å; P467-M731 HydrophobicContact CG-SD 3.67Å; F468-M731 HydrophobicContact CD2-CE 4.38Å; F468-M731 HydrophobicContact CE1-CE 4.36Å; F468-M731 HydrophobicContact CE2-CE 3.48Å; F468-M731 VanDerWaalsContact CE2-CE 3.48Å; F468-M731 HydrophobicContact CZ-CE 3.47Å; F468-M731 VanDerWaalsContact CZ-CE 3.47Å; F729-M731 PolarHBondContact O-N 2.87Å; F729-M731 VanDerWaalsContact O-N 3.13Å
732	Q	22.8	Very low	29.5	Very low	119 Å²	119	97.5 Å²	97.5	56%	0.556	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-85.7	128	-178.5	-171.7	168.3	-3.5	0	0	109.6	F730	F730-Q732 PolarHBondContact O-N 2.8Å
733	W	27.5	Very low	29.4	Very low	65 Å²	65	98.9 Å²	98.9	25%	0.246	54%	0.539	C	S	.	.	P	Polyproline II helix	trans	-87.7	138	-178.8	-78.8	72.3	0	0	0	110.6	P467 L581 N735 S736	P467-W733 HydrophobicContact CB-CZ2 4.04Å; P467-W733 WeakPolarHBondContact O-CH2 3.41Å; P467-W733 WeakPolarHBondContact O-CZ2 3.42Å; L581-W733 HydrophobicContact CD1-CZ2 3.8Å; W733-N735 PolarHBondContact O-N 3.04Å; W733-S736 WeakPolarHBondContact O-CB 3.02Å; W733-S736 PolarHBondContact O-N 3.07Å; W733-S736 VanDerWaalsContact O-N 3.11Å; W733-S736 PolarHBondContact O-OG 3.04Å
734	P	26.6	Very low	29.2	Very low	90 Å²	90	98 Å²	98	58%	0.584	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	138.8	157.9	-24.8	34.9	0	0	0	110	S736	P734-S736 VanDerWaalsContact C-N 3.32Å; P734-S736 PolarHBondContact O-N 3.39Å
735	N	29.9	Very low	28.9	Very low	147 Å²	147	99 Å²	99	79%	0.786	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	9.7	-175.3	-53.6	-27.4	0	0	0	117.3	W733 F737	W733-N735 PolarHBondContact O-N 3.04Å; N735-F737 PolarHBondContact O-N 2.88Å; N735-F737 VanDerWaalsContact O-N 3.11Å
736	S	32.4	Very low	28.6	Very low	10 Å²	10	107 Å²	107	7%	0.07	57%	0.566	C	S	.	*	G	3₁₀ helix	trans	-65.6	-11.5	172.2	77.1	0	0	0	0	114.4	W733 P734 Q738 I739 S741	W733-S736 WeakPolarHBondContact O-CB 3.02Å; W733-S736 PolarHBondContact O-N 3.07Å; W733-S736 VanDerWaalsContact O-N 3.11Å; W733-S736 PolarHBondContact O-OG 3.04Å; P734-S736 VanDerWaalsContact C-N 3.32Å; P734-S736 PolarHBondContact O-N 3.39Å; S736-Q738 VanDerWaalsContact C-N 3.25Å; S736-Q738 PolarHBondContact O-N 3.01Å; S736-I739 PolarHBondContact O-N 2.75Å; S736-I739 VanDerWaalsContact O-N 3.09Å; S736-S741 PolarHBondContact O-OG 3.3Å; S736-S741 PolarHBondContact OG-OG 2.59Å
737	F	30.5	Very low	28.2	Very low	150 Å²	150	114.3 Å²	114.3	66%	0.658	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-47.6	-41.8	174.5	-178.5	-104.9	0	0	0	113.6	N735 I739 G740 L742	N735-F737 PolarHBondContact O-N 2.88Å; N735-F737 VanDerWaalsContact O-N 3.11Å; F737-I739 PolarHBondContact O-N 3.36Å; F737-G740 PolarHBondContact O-N 2.8Å; F737-G740 VanDerWaalsContact O-N 3.15Å; F737-L742 HydrophobicContact CE2-CD2 4.41Å
738	Q	35	Very low	27.9	Very low	178 Å²	178	115.8 Å²	115.8	83%	0.832	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-65.7	-9.2	-177.8	-69.9	-173.3	-9.9	0	0	114.7	S736	S736-Q738 VanDerWaalsContact C-N 3.25Å; S736-Q738 PolarHBondContact O-N 3.01Å
739	I	36.7	Very low	27.6	Very low	101 Å²	101	115.7 Å²	115.7	52%	0.518	61%	0.608	S	S	.	*	G	3₁₀ helix	trans	-119.6	18.1	179.5	-44	-175.1	0	0	0	111.4	K578 S736 F737	K578-I739 HydrophobicContact CD-CG2 4.32Å; S736-I739 PolarHBondContact O-N 2.75Å; S736-I739 VanDerWaalsContact O-N 3.09Å; F737-I739 PolarHBondContact O-N 3.36Å
740	G	27.5	Very low	27.6	Very low	62 Å²	62	114.8 Å²	114.8	64%	0.639	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.4	17.7	162.2	0	0	0	0	0	116.9	F737 L742	F737-G740 PolarHBondContact O-N 2.8Å; F737-G740 VanDerWaalsContact O-N 3.15Å; G740-L742 PolarHBondContact O-N 2.95Å
741	S	26.6	Very low	27.5	Very low	40 Å²	40	114.9 Å²	114.9	28%	0.28	62%	0.621	S	S	.	*			trans	-85.9	92.4	168.9	66	0	0	0	0	111.1	S736	S736-S741 PolarHBondContact O-OG 3.3Å; S736-S741 PolarHBondContact OG-OG 2.59Å
742	L	25.6	Very low	27.6	Very low	123 Å²	123	120.3 Å²	120.3	64%	0.644	64%	0.638	S	S	*	*			trans	-83.5	166.5	169.5	-78.7	168.8	0	0	0	110.9	F737 G740	F737-L742 HydrophobicContact CE2-CD2 4.41Å; G740-L742 PolarHBondContact O-N 2.95Å
743	P	29	Very low	27.8	Very low	112 Å²	112	119.6 Å²	119.6	73%	0.727	65%	0.646	S	S	*	*			cis	-106.8	173	11.1	35.5	-22.5	0	0	0	115
744	P	30.3	Very low	27.7	Very low	101 Å²	101	122.1 Å²	122.1	66%	0.656	66%	0.661	S	S	*	*			trans	-95.8	154.5	-167.5	37.2	-34.4	0	0	0	114.2
745	I	24.5	Very low	27.7	Very low	162 Å²	162	124.3 Å²	124.3	83%	0.831	67%	0.673	S	S	*	*			trans	-130.6	140.5	160.9	-68.3	-175.8	0	0	0	108
746	Y	26.6	Very low	27.7	Very low	216 Å²	216	125.3 Å²	125.3	85%	0.847	67%	0.667	S	S	*	*			trans	-32.1	133.7	-168.1	-56.9	-87.7	0	0	0	117.8	C748	Y746-C748 PolarHBondContact O-N 2.9Å
747	Q	23.5	Very low	28.2	Very low	195 Å²	195	134.3 Å²	134.3	91%	0.911	71%	0.707	S	S	*	*			trans	-63.7	113.1	156.6	-74.7	175.7	-96.7	0	0	108.8	S749	Q747-S749 PolarHBondContact O-N 2.91Å
748	C	21	Very low	28.6	Very low	114 Å²	114	135 Å²	135	77%	0.77	72%	0.718	S	S	*	*			trans	-71.9	102.9	153.5	-174.1	0	0	0	0	106.7	Y746 T750	Y746-C748 PolarHBondContact O-N 2.9Å; C748-T750 PolarHBondContact O-N 2.84Å
749	S	23.7	Very low	28.3	Very low	85 Å²	85	129.7 Å²	129.7	59%	0.594	71%	0.711	S	S	*	*			trans	-60.6	121.6	174	44	0	0	0	0	108.9	Q747 D751	Q747-S749 PolarHBondContact O-N 2.91Å; S749-D751 PolarHBondContact O-N 2.96Å
750	T	26.8	Very low	27.9	Very low	129 Å²	129	129.1 Å²	129.1	79%	0.791	72%	0.716	S	S	*	*			trans	-87.4	40.2	-166.7	3.1	0	0	0	0	112.4	C748	C748-T750 PolarHBondContact O-N 2.84Å
751	D	26.2	Very low	27.8	Very low	119 Å²	119	133.8 Å²	133.8	64%	0.636	72%	0.724	S	S	*	*			trans	-93.1	132.6	179.1	-58.7	-59.1	0	0	0	109.7	S749	S749-D751 PolarHBondContact O-N 2.96Å
752	Y	27.4	Very low	27.7	Very low	208 Å²	208	140.4 Å²	140.4	82%	0.816	75%	0.751	S	S	*	*			trans	61.4	60.2	177.5	-49.5	-77.5	0	0	0	116.3	E754	Y752-E754 PolarHBondContact O-N 2.85Å
753	S	26.6	Very low	27.8	Very low	104 Å²	104	140.4 Å²	140.4	73%	0.727	76%	0.756	S	S	*	*			trans	-85.3	71.4	147	40.9	0	0	0	0	109.7	T755	S753-T755 PolarHBondContact O-N 2.86Å
754	E	25.8	Very low	27.6	Very low	119 Å²	119	138.3 Å²	138.3	56%	0.556	76%	0.755	S	S	*	*			trans	-62.6	117.4	171.9	-72.2	-170.5	148.7	0	0	110.1	Y752 Y756	Y752-E754 PolarHBondContact O-N 2.85Å; E754-Y756 HydrophobicContact CB-CD2 4.15Å; E754-Y756 HydrophobicContact CB-CE2 3.61Å; E754-Y756 WeakPolarHBondContact O-CD2 3.46Å; E754-Y756 PolarHBondContact O-N 2.79Å; E754-Y756 VanDerWaalsContact O-N 3.08Å; E754-Y756 WeakPolarHBondContact OE2-CE2 3.25Å; E754-Y756 PolarHBondContact OE2-OH 3.32Å
755	T	25.9	Very low	27.4	Very low	136 Å²	136	144.4 Å²	144.4	83%	0.834	77%	0.766	S	S	*	*			trans	-81.6	85.8	177.4	42.2	0	0	0	0	110.6	S753	S753-T755 PolarHBondContact O-N 2.86Å
756	Y	31	Very low	27.4	Very low	168 Å²	168	143.6 Å²	143.6	66%	0.659	77%	0.769	S	S	*	*			trans	-57.5	140.4	167.4	-71.9	-91.8	0	0	0	110.2	E754 D758 G759	E754-Y756 HydrophobicContact CB-CD2 4.15Å; E754-Y756 HydrophobicContact CB-CE2 3.61Å; E754-Y756 WeakPolarHBondContact O-CD2 3.46Å; E754-Y756 PolarHBondContact O-N 2.79Å; E754-Y756 VanDerWaalsContact O-N 3.08Å; E754-Y756 WeakPolarHBondContact OE2-CE2 3.25Å; E754-Y756 PolarHBondContact OE2-OH 3.32Å; Y756-D758 PolarHBondContact O-N 2.83Å; Y756-G759 PolarHBondContact O-N 2.88Å
757	Q	41.2	Very low	27.2	Very low	199 Å²	199	138.5 Å²	138.5	93%	0.93	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-18.9	-154.8	-68.6	-172.9	-12.2	0	0	115.6	G759	Q757-G759 VanDerWaalsContact C-N 3.34Å
758	D	39.6	Very low	27.3	Very low	164 Å²	164	138.2 Å²	138.2	88%	0.877	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	7.1	176.9	-61.6	-44.6	0	0	0	114.2	Y756 S760	Y756-D758 PolarHBondContact O-N 2.83Å; D758-S760 VanDerWaalsContact C-N 3.31Å; D758-S760 PolarHBondContact O-N 2.76Å; D758-S760 VanDerWaalsContact O-N 3.14Å
759	G	28.9	Very low	27.4	Very low	67 Å²	67	141.2 Å²	141.2	69%	0.691	77%	0.77	S	S	*	*			trans	74.3	4.7	161.1	0	0	0	0	0	117.5	Y756 Q757	Y756-G759 PolarHBondContact O-N 2.88Å; Q757-G759 VanDerWaalsContact C-N 3.34Å
760	S	28.4	Very low	27.4	Very low	88 Å²	88	141.3 Å²	141.3	62%	0.615	77%	0.771	S	S	*	*			trans	-84.7	132.1	176.8	62	0	0	0	0	112.9	D758	D758-S760 VanDerWaalsContact C-N 3.31Å; D758-S760 PolarHBondContact O-N 2.76Å; D758-S760 VanDerWaalsContact O-N 3.14Å
761	I	26	Very low	27.3	Very low	160 Å²	160	142.2 Å²	142.2	82%	0.821	77%	0.771	S	S	*	*			trans	-104	106.8	175.6	-56.9	173.1	0	0	0	109.5
762	H	24.3	Very low	27.2	Very low	179 Å²	179	141.4 Å²	141.4	83%	0.829	77%	0.77	S	S	*	*			trans	-94.6	114.8	169.3	-93.6	-76.6	0	0	0	110.8	G764	H762-G764 PolarHBondContact O-N 3.41Å
763	T	28.1	Very low	27.1	Very low	124 Å²	124	139.8 Å²	139.8	76%	0.761	77%	0.774	S	S	*	*			trans	-73.3	105	173.9	51.9	0	0	0	0	110.4
764	G	24.5	Very low	27	Very low	68 Å²	68	142.8 Å²	142.8	70%	0.701	78%	0.777	S	S	*	*			trans	-60.2	143.7	173.2	0	0	0	0	0	112.3	H762	H762-G764 PolarHBondContact O-N 3.41Å
765	Y	25.4	Very low	27	Very low	229 Å²	229	141.5 Å²	141.5	90%	0.898	79%	0.786	S	S	*	*			trans	-66.4	132.8	178.9	-91.1	-104.4	0	0	0	111.4	S767	Y765-S767 PolarHBondContact O-N 2.84Å
766	V	24.5	Very low	26.9	Very low	145 Å²	145	144.9 Å²	144.9	88%	0.879	79%	0.793	S	S	*	*			trans	-72.9	109.4	178.3	179.7	0	0	0	0	110.1
767	S	23.2	Very low	26.6	Very low	108 Å²	108	142 Å²	142	76%	0.755	80%	0.797	S	S	*	*			trans	-95.9	145.3	166.4	55.6	0	0	0	0	110.8	Y765	Y765-S767 PolarHBondContact O-N 2.84Å
768	H	24.1	Very low	25.5	Very low	189 Å²	189	144.1 Å²	144.1	88%	0.875	80%	0.796	S	S	*	*			trans	-71.2	135.8	-174	-65.1	-94.2	0	0	0	112.7
769	L	24.5	Very low	24.8	Very low	178 Å²	178	144 Å²	144	93%	0.932	80%	0.796	S	S	*	*			trans	-143.9	135.9	152.4	-110.5	151	0	0	0	110.1
770	S	22.1	Very low	24.4	Very low	86 Å²	86	149.4 Å²	149.4	60%	0.601	80%	0.803	S	S	*	*			trans	-115.8	157.6	-172.2	49.1	0	0	0	0	111.2
771	N	24.6	Very low	24	Very low	148 Å²	148	151.9 Å²	151.9	79%	0.791	82%	0.815	S	S	*	*			trans	70.7	140.7	177.6	-32.2	-51.4	0	0	0	112.6
772	T	25.2	Very low	23.8	Very low	103 Å²	103	152.2 Å²	152.2	63%	0.632	82%	0.817	S	S	*	*			cis	-157.5	132.5	17.2	-48.6	0	0	0	0	110.8	Q774	T772-Q774 HydrophobicContact CG2-CG 3.78Å
773	I	25.2	Very low	23.6	Very low	173 Å²	173	153.1 Å²	153.1	89%	0.887	82%	0.818	S	S	*	*			trans	-134.6	114.7	142.7	-63.2	-174.5	0	0	0	106.7
774	Q	24.3	Very low	23.3	Very low	168 Å²	168	155.8 Å²	155.8	79%	0.785	83%	0.827	S	S	*	*			trans	-84.5	144.8	-179.9	-77.4	168.3	-22.6	0	0	111.2	T772	T772-Q774 HydrophobicContact CG2-CG 3.78Å
775	A	26.9	Very low	23.1	Very low	92 Å²	92	164.5 Å²	164.5	76%	0.76	84%	0.838	S	S	*	*			trans	-68.4	147.7	169.4	0	0	0	0	0	110.7	S777	A775-S777 PolarHBondContact O-N 3.39Å
776	Q	22.1	Very low	22.8	Very low	207 Å²	207	163.3 Å²	163.3	97%	0.967	84%	0.838	S	S	*	*			trans	-75	91.4	-179.3	-67.1	175.2	-14.7	0	0	111.5
777	S	24.6	Very low	22.8	Very low	108 Å²	108	161.5 Å²	161.5	76%	0.755	83%	0.832	S	S	*	*			trans	-117.2	122.5	160.1	53.6	0	0	0	0	110	A775 N779	A775-S777 PolarHBondContact O-N 3.39Å; S777-N779 PolarHBondContact O-N 3.37Å
778	R	19.5	Very low	22.8	Very low	242 Å²	242	163.3 Å²	163.3	91%	0.913	83%	0.833	S	S	*	*			trans	-60.6	133.1	169.7	-67.1	172.1	173.1	166.1	-4.9	108.8
779	N	23.8	Very low	22.8	Very low	161 Å²	161	160 Å²	160	86%	0.861	83%	0.826	S	S	*	*			trans	-160.1	163.8	146.4	-99.3	-15.1	0	0	0	110.3	S777	S777-N779 PolarHBondContact O-N 3.37Å
780	E	21.3	Very low	22.7	Very low	181 Å²	181	158.4 Å²	158.4	85%	0.846	82%	0.817	S	S	*	*			trans	-84.1	159.7	-149.7	-62.7	166.2	136.5	0	0	115.1	I782	E780-I782 PolarHBondContact O-N 3.04Å
781	T	19.8	Very low	22.8	Very low	140 Å²	140	157.9 Å²	157.9	86%	0.859	81%	0.814	S	S	*	*			trans	-67.9	117.6	177.6	47.3	0	0	0	0	112.7
782	I	22.6	Very low	22.6	Very low	168 Å²	168	159.6 Å²	159.6	86%	0.862	81%	0.814	S	S	*	*			trans	-115.6	135.5	154.5	-62.4	-177.4	0	0	0	108.5	E780	E780-I782 PolarHBondContact O-N 3.04Å
783	K	18.7	Very low	22.4	Very low	197 Å²	197	159.1 Å²	159.1	86%	0.857	82%	0.815	S	S	*	*			trans	-85.1	132.9	-168.9	-62	168.8	-178.6	169.4	0	111.9
784	L	21.8	Very low	22.2	Very low	181 Å²	181	158.6 Å²	158.6	95%	0.948	81%	0.814	S	S	*	*			trans	-127.3	161.6	152.2	-92.5	167.7	0	0	0	110.3
785	R	20.3	Very low	22.2	Very low	250 Å²	250	157.7 Å²	157.7	94%	0.943	81%	0.81	S	S	*	*			trans	-88	153.4	-158	-86.9	178.9	167	167.6	-5.6	115.3
786	K	20.9	Very low	22.1	Very low	205 Å²	205	159.8 Å²	159.8	89%	0.891	80%	0.802	S	S	*	*			trans	-54.4	152.9	172.6	-52.7	172.6	174.9	-176.1	0	114.4
787	S	23.6	Very low	22.3	Very low	106 Å²	106	157.1 Å²	157.1	74%	0.741	79%	0.789	S	S	*	*			trans	-164.8	107.8	133.2	55.2	0	0	0	0	112.9
788	N	23.6	Very low	22.3	Very low	146 Å²	146	157.9 Å²	157.9	78%	0.781	78%	0.784	S	S	*	*			trans	54.1	156.2	155.3	-50.6	-7	0	0	0	118.6
789	T	23.8	Very low	22.5	Very low	121 Å²	121	152.5 Å²	152.5	74%	0.742	77%	0.772	S	S	*	*			cis	-151	133.9	14.3	-29.6	0	0	0	0	105.4
790	I	23	Very low	22.4	Very low	143 Å²	143	154.3 Å²	154.3	73%	0.733	77%	0.768	S	S	*	*				62.7	136.6	60	-60.4	172.7	0	0	0	112
791	S	22.6	Very low	22.4	Very low	76 Å²	76	151.9 Å²	151.9	53%	0.531	76%	0.761	S	S	.	*			cis	-175.1	176.5	-31.6	60.1	0	0	0	0	107.1
792	F	21.9	Very low	22.5	Very low	184 Å²	184	153.9 Å²	153.9	81%	0.807	76%	0.76	S	S	*	*			cis	-140.6	173.7	0.1	-65.2	-77.3	0	0	0	107.3
793	S	19.6	Very low	22.7	Very low	92 Å²	92	152.9 Å²	152.9	64%	0.643	76%	0.757	S	S	*	*			cis	89.8	68.5	5.5	85.1	0	0	0	0	121
794	D	21.7	Very low	22.9	Very low	162 Å²	162	150.4 Å²	150.4	87%	0.866	75%	0.753	S	S	*	*			trans	57	155.1	138	-61.3	-32.9	0	0	0	126
795	E	24	Very low	23	Very low	150 Å²	150	147 Å²	147	70%	0.701	74%	0.744	S	S	*	*			trans	88.9	131.7	150.3	-82.4	-158.7	136.9	0	0	125.3
796	K	24.8	Very low	23.1	Very low	136 Å²	136	141.2 Å²	141.2	59%	0.591	74%	0.736	S	S	*	*			trans	79.5	128.3	137.2	-74.6	168.4	171.1	141.5	0	125
797	Q	26.2	Very low	23.1	Very low	151 Å²	151	139.1 Å²	139.1	71%	0.706	73%	0.729	S	S	*	*				69.9	155.2	129.2	-64.5	178.4	-109	0	0	120
798	I	24.3	Very low	23.1	Very low	124 Å²	124	140.4 Å²	140.4	64%	0.636	73%	0.728	S	S	*	*			cis	-164.7	149.5	-10.1	-116.1	-178.8	0	0	0	113.8
799	I	24	Very low	23.1	Very low	128 Å²	128	137.9 Å²	137.9	66%	0.656	72%	0.722	S	S	*	*			trans	48.4	139.2	147.2	-61.5	175.2	0	0	0	124.4
800	Y	21.6	Very low	23.1	Very low	200 Å²	200	137.2 Å²	137.2	78%	0.784	72%	0.722	S	S	*	*			trans	57.8	137.6	155.1	-70.4	-44.8	0	0	0	125.6
801	D	22	Very low	23.2	Very low	130 Å²	130	137.9 Å²	137.9	70%	0.695	73%	0.725	S	S	*	*			trans	61.4	137.5	132.7	-52.7	-15.7	0	0	0	126.6
802	E	21.8	Very low	23.1	Very low	181 Å²	181	139.5 Å²	139.5	85%	0.846	73%	0.732	S	S	*	*			trans	62	151.2	148.8	-69.6	-177.6	156.6	0	0	124.8
803	D	26.2	Very low	23.4	Very low	148 Å²	148	137.6 Å²	137.6	79%	0.791	73%	0.73	S	S	*	*			trans	67.4	126.5	163.4	-65	-8.1	0	0	0	125.7
804	D	23.2	Very low	23.5	Very low	145 Å²	145	143 Å²	143	78%	0.775	74%	0.742	S	S	*	*			trans	49.5	99.1	147.8	-79.9	-8.7	0	0	0	124.3
805	S	23.8	Very low	23.5	Very low	109 Å²	109	140.1 Å²	140.1	76%	0.762	74%	0.741	S	S	*	*				104.8	146.7	113	80.7	0	0	0	0	121.5
806	V	21.8	Very low	23.4	Very low	128 Å²	128	141.2 Å²	141.2	78%	0.776	75%	0.746	S	S	*	*			trans	67.7	87.3	167.5	-161.7	0	0	0	0	118.7
807	E	22.3	Very low	23.3	Very low	161 Å²	161	141.7 Å²	141.7	75%	0.752	75%	0.754	S	S	*	*			trans	4.3	132.6	137.2	-42	-179.4	144.2	0	0	117.9
808	N	22.4	Very low	23.1	Very low	134 Å²	134	139.7 Å²	139.7	72%	0.717	76%	0.757	S	S	*	*				-164.4	140.8	61.4	-106.7	-68	0	0	0	116.5
809	S	25	Very low	22.8	Very low	92 Å²	92	140 Å²	140	64%	0.643	77%	0.769	S	S	*	*			trans	55	116.8	144.6	67	0	0	0	0	123.6
810	S	23.6	Very low	22.6	Very low	107 Å²	107	140 Å²	140	75%	0.748	78%	0.775	S	S	*	*			trans	71.5	149.3	136.2	77.3	0	0	0	0	119.4
811	I	23.9	Very low	22.5	Very low	157 Å²	157	138.3 Å²	138.3	81%	0.805	78%	0.778	S	S	*	*			cis	177.4	157.4	-5.1	-105.8	166.4	0	0	0	102.9
812	V	22	Very low	22.4	Very low	111 Å²	111	139.8 Å²	139.8	67%	0.673	78%	0.78	S	S	*	*			cis	-171.4	174.8	-35.9	110	0	0	0	0	105.6
813	N	27.9	Very low	22.2	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	78%	0.78	S	S	*	*			trans	82.5	119.2	-178.6	-55.4	-35.9	0	0	0	114
814	K	20.4	Very low	21.9	Very low	206 Å²	206	142.4 Å²	142.4	90%	0.896	78%	0.782	S	S	*	*			cis	60.4	140.6	20.8	-59.5	-177	177.2	177.7	0	113.3
815	A	23.3	Very low	21.8	Very low	101 Å²	101	142.8 Å²	142.8	84%	0.835	78%	0.777	S	S	*	*			cis	-150.3	-179.5	27.7	0	0	0	0	0	113.8
816	H	20.7	Very low	21.6	Very low	174 Å²	174	144.4 Å²	144.4	81%	0.806	77%	0.773	S	S	*	*			trans	-91.7	174.7	179.6	-118.4	-97.6	0	0	0	112.9
817	N	22.8	Very low	21.7	Very low	145 Å²	145	144.8 Å²	144.8	78%	0.775	78%	0.775	S	S	*	*			trans	95.3	139.8	150.4	-66.6	-15.7	0	0	0	121.2
818	S	21	Very low	21.6	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	78%	0.777	S	S	*	*			trans	-61	140	164.3	52	0	0	0	0	113.2
819	C	18.9	Very low	21.6	Very low	129 Å²	129	146.7 Å²	146.7	87%	0.872	78%	0.777	S	S	*	*			trans	-147.8	129.8	148	-112.6	0	0	0	0	111.7
820	T	19.7	Very low	21.5	Very low	128 Å²	128	147.5 Å²	147.5	79%	0.785	78%	0.778	S	S	*	*			trans	-73.4	137.2	158.8	46.7	0	0	0	0	109.5
821	I	19.6	Very low	21.7	Very low	165 Å²	165	152.4 Å²	152.4	85%	0.846	79%	0.786	S	S	*	*			trans	-168.8	165.7	144.1	-104.4	153.2	0	0	0	111.6
822	H	19.4	Very low	21.7	Very low	161 Å²	161	152 Å²	152	75%	0.745	79%	0.786	S	S	*	*			trans	-67.9	156.5	-164	-68.5	-91.8	0	0	0	118.2
823	R	18.6	Very low	22.1	Very low	225 Å²	225	152.5 Å²	152.5	85%	0.849	79%	0.794	S	S	*	*			trans	23.3	125.5	137.5	-62.5	174.9	169	172.6	-5.4	118.8
824	L	20.2	Very low	21.8	Very low	159 Å²	159	153.5 Å²	153.5	83%	0.832	80%	0.799	S	S	*	*				-149.2	127	118	-119.3	86.6	0	0	0	106.6
825	K	20	Very low	22.3	Very low	154 Å²	154	149.3 Å²	149.3	67%	0.67	80%	0.796	S	S	*	*				62.3	116.5	92	-77.8	-176.2	153.4	-89.1	0	116
826	E	20	Very low	22.3	Very low	143 Å²	143	156.1 Å²	156.1	67%	0.668	80%	0.8	S	S	*	*				40.8	114.2	127.4	-56.7	156.1	148.8	0	0	119.4
827	T	23.7	Very low	22.6	Very low	135 Å²	135	154.4 Å²	154.4	83%	0.828	80%	0.795	S	S	*	*				-159.9	117.7	119.6	30.8	0	0	0	0	112.4
828	Y	21.5	Very low	22.7	Very low	204 Å²	204	154.2 Å²	154.2	80%	0.8	79%	0.794	S	S	*	*			trans	23.3	131.8	132.9	-72.9	-78.4	0	0	0	122.9
829	N	21.6	Very low	23.1	Very low	131 Å²	131	156.3 Å²	156.3	70%	0.701	80%	0.796	S	S	*	*				118.3	131.3	113.5	-94	-10.8	0	0	0	121.3
830	T	23.1	Very low	23.4	Very low	109 Å²	109	159.8 Å²	159.8	67%	0.669	79%	0.792	S	S	*	*			trans	52	113	144.8	58.2	0	0	0	0	120
831	K	27.8	Very low	23.9	Very low	210 Å²	210	159.5 Å²	159.5	91%	0.913	79%	0.793	S	S	*	*				-152.5	128.5	119.4	-111.6	163.6	-172.9	173.1	0	111.3
832	D	24.6	Very low	24.2	Very low	150 Å²	150	162.8 Å²	162.8	80%	0.802	79%	0.794	S	S	*	*			trans	-72.7	149	175.8	-54	-92.7	0	0	0	112.1
833	S	28.8	Very low	24.5	Very low	121 Å²	121	163 Å²	163	85%	0.846	80%	0.799	S	S	*	*				-168.7	134.8	127.2	22.5	0	0	0	0	113.6
834	N	23.3	Very low	25.5	Very low	164 Å²	164	163.2 Å²	163.2	88%	0.877	82%	0.815	S	S	*	*			trans	-50.7	139.5	-179.9	-59.9	-60.8	0	0	0	116
835	S	29.2	Very low	25.7	Very low	117 Å²	117	163.5 Å²	163.5	82%	0.818	81%	0.814	S	S	*	*				-167.5	103.5	120.6	34.6	0	0	0	0	112.5
836	R	23.8	Very low	26	Very low	245 Å²	245	163.9 Å²	163.9	93%	0.925	82%	0.822	S	S	*	*			trans	-92.1	112.5	165.2	-81	180	171.4	170.7	-2.4	109.5
837	I	26.5	Very low	26.4	Very low	137 Å²	137	165.1 Å²	165.1	70%	0.703	83%	0.83	S	S	*	*			trans	-133	89.3	160.5	-58.1	-176.9	0	0	0	108.7	L839	I837-L839 HydrophobicContact CG2-CD1 4.12Å; I837-L839 HydrophobicContact CG2-CG 3.98Å
838	N	26.3	Very low	26.5	Very low	141 Å²	141	166.9 Å²	166.9	75%	0.754	83%	0.83	S	S	*	*			trans	-89.9	104.7	169.9	-80.9	-16.5	0	0	0	109.2
839	L	29.5	Very low	26.8	Very low	155 Å²	155	164.6 Å²	164.6	81%	0.812	83%	0.832	S	S	*	*			trans	-99	87.8	172.3	-75.4	170.1	0	0	0	110.7	I837 P841	I837-L839 HydrophobicContact CG2-CD1 4.12Å; I837-L839 HydrophobicContact CG2-CG 3.98Å; L839-P841 WeakPolarHBondContact O-CD 3.16Å
840	Y	24.3	Very low	27.2	Very low	201 Å²	201	166.8 Å²	166.8	79%	0.788	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-79.5	121	163.4	-85.4	-91.5	0	0	0	109.7	R842	Y840-R842 PolarHBondContact O-N 3.03Å
841	P	30.7	Very low	27.5	Very low	123 Å²	123	170.9 Å²	170.9	80%	0.799	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-69.9	117.7	163.5	29.1	-31.2	0	0	0	108.8	L839	L839-P841 WeakPolarHBondContact O-CD 3.16Å
842	R	26.6	Very low	27.5	Very low	234 Å²	234	167.9 Å²	167.9	88%	0.883	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-77.1	145.3	171.5	-85.2	-176.5	169.9	172.9	-3.6	110.6	Y840	Y840-R842 PolarHBondContact O-N 3.03Å
843	I	25.4	Very low	27.7	Very low	165 Å²	165	169.4 Å²	169.4	85%	0.846	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-67.5	140.8	161	-62.5	167.3	0	0	0	108.4
844	I	38.3	Very low	27.6	Very low	230 Å²	230	173.8 Å²	173.8	100%	1.179	85%	0.853	S	S	*	*			trans	-119.1	0	156.8	-61.2	179.3	0	0	0	105.6

Retrieved 844 of 844 residues in 419.8 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).