A0A087YHZ8_POEFO Loading...

Thrombospondin 4a

AlphaFold DB , UniProt , Accession A0A087YHZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 949 aa.

						>A0A087YHZ8_POEFO|A0A087YHZ8
MCFKAAAALWLVLQQLLLTVSAEGIVYDLLVSPDCLPDLLQGSLKNKGRDEAFLLSSFRLQNRAPTSLFSVLNPKDNTKYLELNVQAKLSKMTLRYQKTDGRFGTTSFNHGSLADGREHHVMMHASGLQRGPPRLNIYVDCRLAHTVNDLPAAFGSLPPGPNKVALRTLQSSGQDNLTDLKLVIEDTIDNVATLQDCSMEPAESLHLLGFQGGRVVQDQTSIQELKSMLSEMRELLHKQIKETNFLRNTIAECLACGLGGSPTNPVPGPSPEQVVIPSHLTGCPPGTCFRQNMCIPSESGGFQCAPCPDGYTGDGVHCDDVDECSFNPCFPGVRCVNTAPGFRCEKCPVGYMGPEINGVGVSYAKSHKQVCEDLDECLGPPENGGCTPNSLCYNTIGSFRCGECRAGFTGDQLTGCHGTRLCPNGQPNPCDVNGECIVERDGSISCVCGIGWAGNGYECGKDTDIDAYPDNNLVCRDNNCNQDNCVFVPNSGQEDADRDGSGDACDDDADNDGIINVDDNCWLVPNVDQKNSDKDIHGDACDNCKTIQNPSQRDTDKDGLGDECDDDMDGDGLKNVLDNCQRVPNPDQADRDNDGVGDACDSCPDVANPNQSDSDDDLVGDTCDDNIDSDGDGHQNTKDNCPTVINSSQLDTDKDGMGDECDDDDDNDGIPDSEDNCRLVPNSDQKDSDMDKVGDACEGDFDKDNVIDIIDHCPENAEVTLTDFRAYQTVVLDPEGDSQIDPNWVVLNQGMEIVQTMNSDPGLAVGYKAFSGVDFEGTFHVNTVTDDDYAGFIFGYQDSSSFYVVMWKQTEQTYWQAAPFRAVAEPGIQLKVVKSKTGPGEYMRNSLWHTGNTTDQVRLLWKDPRNVGWKDKVSYRWFLQHRPQVGYIRARFYEGSKLVADTGVIIDTSMRGGRLGVFCFSQENIIWSNLKYRCNDNIPDDYQEVEGAE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	29.7	Very low	238 Å²	238	153.5 Å²	153.5	100%	1.172	86%	0.859	S	S	*	*				0	91.2	0	-88.1	175.7	162.4	0	0	107.1
2	C	28.8	Very low	29.7	Very low	105 Å²	105	151.6 Å²	151.6	71%	0.709	85%	0.853	S	S	*	*			trans	-146.6	76.4	167.6	-103.4	0	0	0	0	107.5
3	F	32.1	Very low	29.7	Very low	207 Å²	207	151.3 Å²	151.3	91%	0.908	85%	0.847	S	S	*	*			trans	-164.8	111.1	159.3	-106.7	-74.4	0	0	0	107
4	K	29.3	Very low	30.1	Very low	208 Å²	208	154.1 Å²	154.1	90%	0.904	85%	0.85	S	S	*	*			trans	176.7	145.4	138.9	-100.2	170.6	-175.2	-175.7	0	113.2
5	A	28.5	Very low	30.6	Very low	103 Å²	103	155.3 Å²	155.3	85%	0.851	85%	0.847	S	S	*	*			trans	91.3	124.3	170.9	0	0	0	0	0	114.6
6	A	28.4	Very low	30.6	Very low	100 Å²	100	156.8 Å²	156.8	83%	0.826	85%	0.852	S	S	*	*			cis	-162	147.8	-2	0	0	0	0	0	109.1
7	A	31.9	Very low	30.5	Very low	102 Å²	102	157.3 Å²	157.3	84%	0.843	85%	0.853	S	S	*	*			trans	-84.9	136.6	166.4	0	0	0	0	0	110.3
8	A	27.5	Very low	30.5	Very low	93 Å²	93	157.6 Å²	157.6	77%	0.769	85%	0.853	S	S	*	*			trans	171.2	103	138.5	0	0	0	0	0	112.1
9	L	26.7	Very low	30.4	Very low	178 Å²	178	156.7 Å²	156.7	93%	0.932	85%	0.854	S	S	*	*				-177.1	133.1	112.2	-123.6	86.7	0	0	0	109.8
10	W	31.7	Very low	30.3	Very low	226 Å²	226	155.8 Å²	155.8	86%	0.856	85%	0.853	S	S	*	*			trans	-98.6	148.9	179.3	-153.3	55.9	0	0	0	109.3
11	L	29.9	Very low	30.6	Very low	129 Å²	129	153 Å²	153	68%	0.675	85%	0.845	S	S	*	*			trans	74.4	108.5	165.3	-73.3	158.1	0	0	0	119.2
12	V	29.6	Very low	30.9	Very low	130 Å²	130	144.1 Å²	144.1	79%	0.788	81%	0.809	S	S	*	*				163.4	110.9	125.2	176	0	0	0	0	103.2
13	L	29.7	Very low	32.1	Very low	148 Å²	148	147.9 Å²	147.9	78%	0.775	82%	0.816	S	S	*	*				-164.8	129.4	51.1	-154.3	96.4	0	0	0	107.4
14	Q	35.3	Very low	33.5	Very low	191 Å²	191	138.8 Å²	138.8	89%	0.893	78%	0.781	S	S	*	*			trans	-88.2	109.7	167.7	-146.4	-179.7	9.4	0	0	106.7
15	Q	37.8	Very low	35.5	Very low	171 Å²	171	132.1 Å²	132.1	80%	0.799	76%	0.755	S	S	*	*			trans	-179.3	133.8	152.2	-104.3	166.2	7.4	0	0	111.1
16	L	30	Very low	37.9	Very low	179 Å²	179	130.3 Å²	130.3	94%	0.937	73%	0.733	S	S	*	*			trans	95.7	87.1	-177.5	-69.5	134	0	0	0	115.4
17	L	29.9	Very low	40.4	Very low	166 Å²	166	129 Å²	129	87%	0.869	71%	0.707	S	S	*	*			trans	-87.5	111.4	155.5	-96.3	145.4	0	0	0	107.9
18	L	30	Very low	42.8	Very low	163 Å²	163	127.2 Å²	127.2	85%	0.853	68%	0.683	S	S	*	*			trans	162	78.2	133.7	-85.5	164.4	0	0	0	110.2
19	T	27.8	Very low	45.4	Very low	141 Å²	141	122.8 Å²	122.8	87%	0.865	65%	0.647	S	S	*	*			trans	-167.4	107.9	133.3	41	0	0	0	0	105.9	S21	T19-S21 PolarHBondContact O-N 3.34Å
20	V	28.6	Very low	47.9	Very low	138 Å²	138	117.3 Å²	117.3	84%	0.836	62%	0.618	S	S	*	*			trans	-79.1	104.7	171.5	172.6	0	0	0	0	106.2
21	S	37.8	Very low	49.9	Very low	98 Å²	98	111.8 Å²	111.8	69%	0.685	61%	0.609	S	S	*	*			trans	-80.5	107	154.6	56.8	0	0	0	0	106.3	T19 E23	T19-S21 PolarHBondContact O-N 3.34Å; S21-E23 PolarHBondContact O-N 3.35Å
22	A	37.3	Very low	51.9	Low	50 Å²	50	108.3 Å²	108.3	41%	0.413	60%	0.595	S	S	.	*			trans	-68.2	116.6	166.9	0	0	0	0	0	107.4
23	E	54.9	Low	53.6	Low	185 Å²	185	104.6 Å²	104.6	86%	0.864	57%	0.574	S	S	*	*			trans	-82.7	107.7	165.2	-75.7	178.3	159.7	0	0	107	S21	S21-E23 PolarHBondContact O-N 3.35Å
24	G	60.8	Low	55.3	Low	16 Å²	16	104.1 Å²	104.1	17%	0.165	57%	0.572	C	S	.	*			trans	-64.8	153.7	174.3	0	0	0	0	0	113	E185 D186	G24-E185 WeakPolarHBondContact CA-O 3.48Å; G24-D186 WeakPolarHBondContact CA-OD2 3.22Å; G24-D186 PolarHBondContact N-OD2 3.09Å
25	I	72.4	Confident	56.7	Low	68 Å²	68	97 Å²	97	35%	0.349	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	115	177.7	-50.6	175.6	0	0	0	108.9	Y27 V183 I184	I25-Y27 HydrophobicContact CB-CE2 4.09Å; I25-Y27 HydrophobicContact CG2-CD2 4.19Å; I25-Y27 HydrophobicContact CG2-CE1 4.23Å; I25-Y27 HydrophobicContact CG2-CE2 3.45Å; I25-Y27 VanDerWaalsContact CG2-CE2 3.45Å; I25-Y27 VanDerWaalsContact CG2-CZ 3.48Å; I25-V183 WeakPolarHBondContact O-CA 3.49Å; I25-I184 PolarHBondContact N-O 3.04Å; I25-I184 PolarHBondContact O-N 3.11Å; I25-I184 VanDerWaalsContact O-N 3.1Å
26	V	78.6	Confident	58.4	Low	65 Å²	65	88.9 Å²	88.9	39%	0.394	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.1	178.9	-176.3	0	0	0	0	110.7	K181 V183 L194	V26-K181 HydrophobicContact CG1-CB 4.38Å; V26-K181 HydrophobicContact CG1-CD 4.17Å; V26-K181 HydrophobicContact CG1-CG 4.3Å; V26-V183 HydrophobicContact CG1-CG2 4.23Å; V26-V183 HydrophobicContact CG2-CG1 4.06Å; V26-V183 HydrophobicContact CG2-CG2 4.05Å; V26-L194 HydrophobicContact CG2-CD1 3.96Å
27	Y	80.6	Confident	60.1	Low	73 Å²	73	80.8 Å²	80.8	29%	0.286	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.9	174.9	-61.3	-87.3	0	0	0	110.6	I25 L39 K181 L182 I184	I25-Y27 HydrophobicContact CB-CE2 4.09Å; I25-Y27 HydrophobicContact CG2-CD2 4.19Å; I25-Y27 HydrophobicContact CG2-CE1 4.23Å; I25-Y27 HydrophobicContact CG2-CE2 3.45Å; I25-Y27 VanDerWaalsContact CG2-CE2 3.45Å; I25-Y27 VanDerWaalsContact CG2-CZ 3.48Å; Y27-L39 HydrophobicContact CD1-CD1 3.67Å; Y27-L39 HydrophobicContact CD2-CD1 3.77Å; Y27-L39 HydrophobicContact CE1-CD1 3.78Å; Y27-L39 HydrophobicContact CE1-CD2 4.33Å; Y27-L39 HydrophobicContact CE2-CD1 3.87Å; Y27-L39 HydrophobicContact CE2-CD2 4.21Å; Y27-L39 HydrophobicContact CG-CD1 3.66Å; Y27-K181 CarbonylContact O-C 3.58Å; Y27-K181 WeakPolarHBondContact O-CA 2.97Å; Y27-L182 HydrophobicContact CD2-CD2 4.5Å; Y27-L182 PolarHBondContact N-O 3.16Å; Y27-L182 PolarHBondContact O-N 3.47Å; Y27-I184 HydrophobicContact CE2-CD1 4.27Å
28	D	81.2	Confident	61.9	Low	63 Å²	63	77.5 Å²	77.5	34%	0.337	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.4	173.3	-174.3	-32.4	0	0	0	110.6	L30 V31 S32	D28-L30 PolarHBondContact OD1-N 3Å; D28-V31 PolarHBondContact OD1-N 3.4Å; D28-V31 VanDerWaalsContact OD1-N 3.11Å; D28-V31 WeakPolarHBondContact OD2-CG2 3.38Å; D28-S32 PolarHBondContact O-N 2.67Å
29	L	82.3	Confident	63.9	Low	1 Å²	1	71.3 Å²	71.3	1%	0.005	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-12.8	-171	-48.4	-177	0	0	0	112.9	P33 L36 L54 L166 L180 L182	L29-P33 WeakPolarHBondContact O-CA 3.4Å; L29-P33 WeakPolarHBondContact O-CB 3.41Å; L29-L36 HydrophobicContact CD1-CB 4.08Å; L29-L36 HydrophobicContact CD1-CD1 3.57Å; L29-L36 HydrophobicContact CD1-CD2 3.84Å; L29-L36 HydrophobicContact CD1-CG 3.98Å; L29-L36 HydrophobicContact CD2-CB 3.77Å; L29-L36 HydrophobicContact CD2-CD1 4.15Å; L29-L36 HydrophobicContact CD2-CG 4.48Å; L29-L36 HydrophobicContact CG-CB 4.43Å; L29-L54 HydrophobicContact CD1-CD1 3.84Å; L29-L166 HydrophobicContact CB-CD2 4.12Å; L29-L180 WeakPolarHBondContact CA-O 3.48Å; L29-L180 HydrophobicContact CB-CB 4.37Å; L29-L180 HydrophobicContact CB-CD2 4.05Å; L29-L180 HydrophobicContact CB-CG 4.02Å; L29-L180 VanDerWaalsContact CB-O 3.26Å; L29-L180 WeakPolarHBondContact CB-O 3.31Å; L29-L180 HydrophobicContact CD1-CD2 4.44Å; L29-L180 HydrophobicContact CD1-CG 4.12Å; L29-L180 PolarHBondContact N-O 2.87Å; L29-L182 HydrophobicContact CD1-CB 4.02Å; L29-L182 HydrophobicContact CD2-CB 4.31Å; L29-L182 HydrophobicContact CG-CB 4.45Å
30	L	80.2	Confident	66	Low	62 Å²	62	64.9 Å²	64.9	33%	0.325	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-35	170.4	-64.9	-176.7	0	0	0	110.9	D28 T168 L177 T178 L180	D28-L30 PolarHBondContact OD1-N 3Å; L30-T168 HydrophobicContact CD2-CG2 4.27Å; L30-L177 HydrophobicContact CD2-CD2 3.84Å; L30-L177 HydrophobicContact CD2-CG 4.32Å; L30-T178 WeakPolarHBondContact CD1-O 3.35Å; L30-L180 HydrophobicContact CD1-CB 4.45Å; L30-L180 HydrophobicContact CD2-CB 3.81Å; L30-L180 HydrophobicContact CD2-CD2 4.48Å; L30-L180 HydrophobicContact CG-CB 3.77Å
31	V	73.6	Confident	68	Low	111 Å²	111	59.3 Å²	59.3	67%	0.673	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-29.5	179.9	-178.3	0	0	0	0	112.1	D28	D28-V31 PolarHBondContact OD1-N 3.4Å; D28-V31 VanDerWaalsContact OD1-N 3.11Å; D28-V31 WeakPolarHBondContact OD2-CG2 3.38Å
32	S	70.8	Confident	69.2	Low	56 Å²	56	55.8 Å²	55.8	39%	0.392	32%	0.318	S	S	.	.			trans	-141.7	69	-177.7	-69	0	0	0	0	112.4	D28 D34 C35	D28-S32 PolarHBondContact O-N 2.67Å; S32-D34 PolarHBondContact O-N 2.99Å; S32-D34 VanDerWaalsContact O-N 3.16Å; S32-C35 WeakPolarHBondContact O-CB 3.39Å; S32-C35 PolarHBondContact O-N 3.25Å
33	P	66.3	Low	70.5	Confident	52 Å²	52	53.9 Å²	53.9	34%	0.338	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.4	-176.3	25.8	-34.9	0	0	0	113.5	L29 C35 P37 L166	L29-P33 WeakPolarHBondContact O-CA 3.4Å; L29-P33 WeakPolarHBondContact O-CB 3.41Å; P33-C35 PolarHBondContact O-N 3.01Å; P33-P37 WeakPolarHBondContact O-CD 3.41Å; P33-L166 HydrophobicContact CB-CD2 4.17Å
34	D	65.6	Low	71.3	Confident	138 Å²	138	45.2 Å²	45.2	74%	0.738	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-15.9	175.4	-65.5	-34.2	0	0	0	113	S32	S32-D34 PolarHBondContact O-N 2.99Å; S32-D34 VanDerWaalsContact O-N 3.16Å
35	C	65.1	Low	71.4	Confident	40 Å²	40	50 Å²	50	27%	0.27	28%	0.278	S	S	.	.	H	α-helix	trans	-81.5	-35.1	-179.2	-69.9	0	0	0	0	113.7	S32 P33 D38 L39	S32-C35 WeakPolarHBondContact O-CB 3.39Å; S32-C35 PolarHBondContact O-N 3.25Å; P33-C35 PolarHBondContact O-N 3.01Å; C35-D38 PolarHBondContact O-N 3.11Å; C35-L39 WeakPolarHBondContact O-CD1 3.34Å; C35-L39 WeakPolarHBondContact O-CG 3.49Å; C35-L39 PolarHBondContact O-N 3.36Å; C35-L39 VanDerWaalsContact O-N 3.16Å
36	L	72.7	Confident	71	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-47.8	178.8	-177.7	72	0	0	0	112.6	L29 D38 L39 L40 V71 L166 L182	L29-L36 HydrophobicContact CD1-CB 4.08Å; L29-L36 HydrophobicContact CD1-CD1 3.57Å; L29-L36 HydrophobicContact CD1-CD2 3.84Å; L29-L36 HydrophobicContact CD1-CG 3.98Å; L29-L36 HydrophobicContact CD2-CB 3.77Å; L29-L36 HydrophobicContact CD2-CD1 4.15Å; L29-L36 HydrophobicContact CD2-CG 4.48Å; L29-L36 HydrophobicContact CG-CB 4.43Å; L36-D38 VanDerWaalsContact C-N 3.27Å; L36-D38 PolarHBondContact O-N 2.89Å; L36-L39 PolarHBondContact O-N 2.81Å; L36-L39 VanDerWaalsContact O-N 3.13Å; L36-L40 HydrophobicContact CD1-CD1 3.66Å; L36-L40 HydrophobicContact CD1-CD2 4.48Å; L36-L40 HydrophobicContact CD1-CG 3.85Å; L36-L40 HydrophobicContact CD2-CD1 4.11Å; L36-L40 HydrophobicContact CG-CD1 3.76Å; L36-L40 HydrophobicContact CG-CG 4.19Å; L36-L40 PolarHBondContact O-N 3.14Å; L36-V71 HydrophobicContact CD2-CG2 4.12Å; L36-L166 HydrophobicContact CD2-CB 4.41Å; L36-L166 HydrophobicContact CD2-CD1 3.84Å; L36-L166 HydrophobicContact CD2-CD2 3.93Å; L36-L166 HydrophobicContact CD2-CG 4.27Å; L36-L182 HydrophobicContact CD1-CB 4.12Å; L36-L182 HydrophobicContact CD1-CD1 4.34Å; L36-L182 HydrophobicContact CD1-CD2 3.74Å; L36-L182 HydrophobicContact CD1-CG 4.31Å
37	P	65.8	Low	70.4	Confident	9 Å²	9	54.1 Å²	54.1	6%	0.058	29%	0.294	C	S	.	.	H	α-helix	trans	-54.6	-41.9	178.1	-28.5	36.3	0	0	0	112.9	P33 Q41 V164	P33-P37 WeakPolarHBondContact O-CD 3.41Å; P37-Q41 WeakPolarHBondContact O-CB 3.44Å; P37-Q41 VanDerWaalsContact O-CD 3.3Å; P37-Q41 WeakPolarHBondContact O-CG 3.17Å; P37-Q41 PolarHBondContact O-N 3.4Å; P37-Q41 PolarHBondContact O-NE2 2.81Å; P37-V164 HydrophobicContact CB-CB 4.05Å; P37-V164 HydrophobicContact CB-CG1 4.09Å; P37-V164 WeakPolarHBondContact CB-O 3.1Å
38	D	68.4	Low	69.6	Low	97 Å²	97	52.6 Å²	52.6	52%	0.519	30%	0.301	S	S	.	.	H	α-helix	trans	-71.7	-32.3	-179.6	-77.5	-5.6	0	0	0	112.3	C35 L36 K47	C35-D38 PolarHBondContact O-N 3.11Å; L36-D38 VanDerWaalsContact C-N 3.27Å; L36-D38 PolarHBondContact O-N 2.89Å; D38-K47 PolarHBondContact O-NZ 3.28Å
39	L	70.6	Confident	69.2	Low	33 Å²	33	53 Å²	53	17%	0.173	30%	0.298	C	S	.	.	H	α-helix	trans	-72.8	-41.9	178.5	-73.5	165	0	0	0	112.4	Y27 C35 L36 K47 L182	Y27-L39 HydrophobicContact CD1-CD1 3.67Å; Y27-L39 HydrophobicContact CD2-CD1 3.77Å; Y27-L39 HydrophobicContact CE1-CD1 3.78Å; Y27-L39 HydrophobicContact CE1-CD2 4.33Å; Y27-L39 HydrophobicContact CE2-CD1 3.87Å; Y27-L39 HydrophobicContact CE2-CD2 4.21Å; Y27-L39 HydrophobicContact CG-CD1 3.66Å; C35-L39 WeakPolarHBondContact O-CD1 3.34Å; C35-L39 WeakPolarHBondContact O-CG 3.49Å; C35-L39 PolarHBondContact O-N 3.36Å; C35-L39 VanDerWaalsContact O-N 3.16Å; L36-L39 PolarHBondContact O-N 2.81Å; L36-L39 VanDerWaalsContact O-N 3.13Å; L39-K47 PolarHBondContact O-NZ 3.05Å; L39-L182 HydrophobicContact CB-CD2 4.26Å; L39-L182 HydrophobicContact CD1-CD2 4.13Å
40	L	73.2	Confident	68.8	Low	5 Å²	5	55.8 Å²	55.8	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-81.8	-21.1	179.2	-62.6	-178.3	0	0	0	113.3	L36 L44 A153 F154 L157	L36-L40 HydrophobicContact CD1-CD1 3.66Å; L36-L40 HydrophobicContact CD1-CD2 4.48Å; L36-L40 HydrophobicContact CD1-CG 3.85Å; L36-L40 HydrophobicContact CD2-CD1 4.11Å; L36-L40 HydrophobicContact CG-CD1 3.76Å; L36-L40 HydrophobicContact CG-CG 4.19Å; L36-L40 PolarHBondContact O-N 3.14Å; L40-L44 HydrophobicContact CD2-CD1 3.94Å; L40-L44 HydrophobicContact CD2-CG 4.36Å; L40-A153 WeakPolarHBondContact CB-O 3.26Å; L40-A153 WeakPolarHBondContact CD2-O 3.47Å; L40-F154 HydrophobicContact CD2-CD1 4.36Å; L40-L157 HydrophobicContact CB-CD1 3.64Å
41	Q	69.4	Low	68.9	Low	21 Å²	21	56.2 Å²	56.2	10%	0.098	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	134.2	173.2	-85.4	171.5	57	0	0	112.3	P37 K47 G160 V164	P37-Q41 WeakPolarHBondContact O-CB 3.44Å; P37-Q41 VanDerWaalsContact O-CD 3.3Å; P37-Q41 WeakPolarHBondContact O-CG 3.17Å; P37-Q41 PolarHBondContact O-N 3.4Å; P37-Q41 PolarHBondContact O-NE2 2.81Å; Q41-K47 WeakPolarHBondContact O-CE 3.41Å; Q41-K47 PolarHBondContact O-NZ 2.99Å; Q41-G160 PolarHBondContact OE1-O 2.87Å; Q41-V164 HydrophobicContact CG-CB 4.38Å; Q41-V164 HydrophobicContact CG-CG2 3.88Å
42	G	62.8	Low	69.4	Low	24 Å²	24	51 Å²	51	25%	0.247	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	89	15.2	173.6	0	0	0	0	0	115.7	N46 L157	G42-N46 WeakPolarHBondContact O-CB 3.21Å; G42-N46 PolarHBondContact O-ND2 3.32Å; G42-L157 PolarHBondContact N-O 2.87Å; G42-L157 VanDerWaalsContact N-O 3.14Å
43	S	65.8	Low	70.3	Confident	11 Å²	11	48.3 Å²	48.3	8%	0.077	26%	0.262	C	S	.	.			trans	68.6	121.5	179.2	-174.2	0	0	0	0	114.5	K45 N46 K47 G155	S43-K45 PolarHBondContact O-N 2.82Å; S43-K45 WeakPolarHBondContact OG-CB 3.48Å; S43-K45 PolarHBondContact OG-N 2.84Å; S43-N46 PolarHBondContact O-N 3.16Å; S43-N46 VanDerWaalsContact O-N 3.13Å; S43-K47 PolarHBondContact O-N 3.38Å; S43-G155 WeakPolarHBondContact CB-O 3.49Å; S43-G155 PolarHBondContact OG-O 3.37Å
44	L	70.4	Confident	71.4	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-31.7	173.8	-68.9	171.4	0	0	0	111.5	L40 K47 G48 R49 A52 L128 F154 I184	L40-L44 HydrophobicContact CD2-CD1 3.94Å; L40-L44 HydrophobicContact CD2-CG 4.36Å; L44-K47 CarbonylContact O-C 3.56Å; L44-K47 PolarHBondContact O-N 2.86Å; L44-K47 VanDerWaalsContact O-N 3.14Å; L44-G48 PolarHBondContact O-N 2.99Å; L44-R49 HydrophobicContact CB-CB 4.42Å; L44-R49 PolarHBondContact O-N 3.01Å; L44-A52 HydrophobicContact CD1-CB 3.91Å; L44-L128 HydrophobicContact CB-CD1 4.08Å; L44-L128 HydrophobicContact CD1-CD1 4.37Å; L44-F154 WeakPolarHBondContact CB-O 3.49Å; L44-F154 HydrophobicContact CD1-CB 4.2Å; L44-F154 HydrophobicContact CD1-CD1 3.96Å; L44-I184 HydrophobicContact CD2-CD1 4.27Å
45	K	64.3	Low	72.5	Confident	118 Å²	118	39.7 Å²	39.7	51%	0.513	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-46.5	172.8	-176.6	175.5	-173.4	167.3	0	112.4	S43 K47 G48 L128 Q129	S43-K45 PolarHBondContact O-N 2.82Å; S43-K45 WeakPolarHBondContact OG-CB 3.48Å; S43-K45 PolarHBondContact OG-N 2.84Å; K45-K47 PolarHBondContact O-N 3.13Å; K45-G48 PolarHBondContact O-N 2.83Å; K45-L128 VanDerWaalsContact CD-O 3.3Å; K45-L128 WeakPolarHBondContact CD-O 3.33Å; K45-L128 WeakPolarHBondContact CG-O 3.34Å; K45-Q129 PolarHBondContact O-NE2 3.24Å; K45-Q129 VanDerWaalsContact O-NE2 3.1Å
46	N	62.8	Low	73.7	Confident	135 Å²	135	37.9 Å²	37.9	72%	0.722	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-18.8	178	-68.2	-21.9	0	0	0	112.9	G42 S43 G48	G42-N46 WeakPolarHBondContact O-CB 3.21Å; G42-N46 PolarHBondContact O-ND2 3.32Å; S43-N46 PolarHBondContact O-N 3.16Å; S43-N46 VanDerWaalsContact O-N 3.13Å; N46-G48 VanDerWaalsContact C-N 3.33Å
47	K	65.8	Low	74.6	Confident	84 Å²	84	38 Å²	38	37%	0.365	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	7.3	173.9	-65.7	-178.4	-175	173.1	0	113.2	D38 L39 Q41 S43 L44 K45 R49	D38-K47 PolarHBondContact O-NZ 3.28Å; L39-K47 PolarHBondContact O-NZ 3.05Å; Q41-K47 WeakPolarHBondContact O-CE 3.41Å; Q41-K47 PolarHBondContact O-NZ 2.99Å; S43-K47 PolarHBondContact O-N 3.38Å; L44-K47 CarbonylContact O-C 3.56Å; L44-K47 PolarHBondContact O-N 2.86Å; L44-K47 VanDerWaalsContact O-N 3.14Å; K45-K47 PolarHBondContact O-N 3.13Å; K47-R49 PolarHBondContact O-NH1 2.77Å
48	G	63.7	Low	75.8	Confident	41 Å²	41	37.5 Å²	37.5	42%	0.423	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	21.4	174	0	0	0	0	0	114.9	L44 K45 N46 Q129	L44-G48 PolarHBondContact O-N 2.99Å; K45-G48 PolarHBondContact O-N 2.83Å; N46-G48 VanDerWaalsContact C-N 3.33Å; G48-Q129 VanDerWaalsContact C-NE2 3.35Å
49	R	73.2	Confident	76.8	Confident	72 Å²	72	38.5 Å²	38.5	27%	0.272	20%	0.196	S	C	.	.			trans	-110.9	133.4	-172.4	-56.6	-62.2	-174.8	-106.9	20.8	111.3	L44 K47 L128 Q129 I184 E185	L44-R49 HydrophobicContact CB-CB 4.42Å; L44-R49 PolarHBondContact O-N 3.01Å; K47-R49 PolarHBondContact O-NH1 2.77Å; R49-L128 WeakPolarHBondContact O-CB 3Å; R49-Q129 WeakPolarHBondContact O-CG 3.22Å; R49-I184 HydrophobicContact CB-CG2 4.26Å; R49-I184 HydrophobicContact CG-CG2 3.89Å; R49-E185 IonicContact CZ-OE1 3.26Å; R49-E185 IonicContact CZ-OE2 2.9Å; R49-E185 IonicContact NE-OE1 2.85Å; R49-E185 PolarHBondContact NE-OE1 3.25Å; R49-E185 VanDerWaalsContact NE-OE1 3.15Å; R49-E185 IonicContact NE-OE2 3.89Å; R49-E185 PolarHBondContact NE-OE2 3Å; R49-E185 IonicContact NH1-OE1 2.73Å; R49-E185 PolarHBondContact NH1-OE1 3.45Å; R49-E185 IonicContact NH2-OE1 3.36Å; R49-E185 PolarHBondContact NH2-OE1 3.2Å; R49-E185 IonicContact NH2-OE2 3.49Å; R49-E185 PolarHBondContact NH2-OE2 3.48Å
50	D	74.1	Confident	77.7	Confident	58 Å²	58	37 Å²	37	31%	0.31	19%	0.187	S	C	.	.	S	Bend	trans	-103.7	-28.5	-177.8	-155.3	29.7	0	0	0	113.2	G127 L128 Q129 R130	D50-G127 PolarHBondContact O-N 2.76Å; D50-L128 WeakPolarHBondContact O-CG 3.41Å; D50-L128 PolarHBondContact O-N 2.85Å; D50-L128 PolarHBondContact OD1-N 2.84Å; D50-Q129 HydrophobicContact CB-CB 4.36Å; D50-Q129 HydrophobicContact CB-CG 4.25Å; D50-Q129 WeakPolarHBondContact OD1-CA 3.19Å; D50-Q129 VanDerWaalsContact OD1-CB 3.31Å; D50-Q129 WeakPolarHBondContact OD1-CB 3.41Å; D50-Q129 PolarHBondContact OD1-N 2.96Å; D50-R130 PolarHBondContact OD1-N 3.4Å
51	E	81.7	Confident	78.1	Confident	72 Å²	72	40.3 Å²	40.3	34%	0.336	20%	0.203	S	C	.	.			trans	-129	141.8	179.9	-63.3	-174	168	0	0	111.5	F53 A125	E51-F53 HydrophobicContact CB-CE2 4.25Å; E51-A125 WeakPolarHBondContact CA-O 3.47Å
52	A	86.1	Confident	78.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	143.5	173.6	0	0	0	0	0	111.3	L44 A125 F154	L44-A52 HydrophobicContact CD1-CB 3.91Å; A52-A125 PolarHBondContact N-O 3Å; A52-A125 PolarHBondContact O-N 3.15Å; A52-F154 HydrophobicContact CB-CD1 4.42Å
53	F	87.9	Confident	79.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	132	-177.7	-55.3	-100.6	0	0	0	110.7	E51 M122 M123 H124 L182 V183 D186 I188 V191	E51-F53 HydrophobicContact CB-CE2 4.25Å; F53-M122 HydrophobicContact CD1-CG 4.47Å; F53-M122 HydrophobicContact CD1-SD 4.21Å; F53-M123 CarbonylContact C-O 3.5Å; F53-M123 VanDerWaalsContact CA-O 3.28Å; F53-M123 WeakPolarHBondContact CA-O 3.22Å; F53-H124 HydrophobicContact CD1-CB 3.83Å; F53-H124 AromaticContact CD1-CD2 3.65Å; F53-H124 AromaticContact CD1-CG 3.88Å; F53-H124 HydrophobicContact CE1-CB 3.83Å; F53-H124 AromaticContact CE1-CD2 3.09Å; F53-H124 WeakPolarHBondContact CE1-CD2 3.48Å; F53-H124 AromaticContact CE1-CG 3.4Å; F53-H124 AromaticContact CE1-NE2 3.63Å; F53-H124 AromaticContact CZ-CD2 3.31Å; F53-H124 WeakPolarHBondContact CZ-CD2 3.24Å; F53-H124 AromaticContact CZ-NE2 3.44Å; F53-H124 WeakPolarHBondContact CZ-NE2 3.47Å; F53-L182 CarbonylContact O-C 3.6Å; F53-L182 WeakPolarHBondContact O-CA 3.4Å; F53-L182 WeakPolarHBondContact O-CD1 3.44Å; F53-V183 HydrophobicContact CB-CB 4.18Å; F53-V183 PolarHBondContact N-O 2.96Å; F53-V183 PolarHBondContact O-N 2.77Å; F53-D186 VanDerWaalsContact CE2-O 3.32Å; F53-D186 WeakPolarHBondContact CE2-O 3.23Å; F53-I188 HydrophobicContact CE1-CB 4.13Å; F53-I188 HydrophobicContact CE1-CG1 4.22Å; F53-I188 HydrophobicContact CZ-CB 4.3Å; F53-V191 HydrophobicContact CB-CG1 4.03Å; F53-V191 HydrophobicContact CD1-CB 4.22Å; F53-V191 HydrophobicContact CD1-CG1 3.92Å; F53-V191 HydrophobicContact CD1-CG2 4.22Å; F53-V191 HydrophobicContact CD2-CG2 3.81Å; F53-V191 HydrophobicContact CE1-CB 4.39Å; F53-V191 HydrophobicContact CE1-CG2 4.34Å; F53-V191 HydrophobicContact CE2-CG2 3.97Å; F53-V191 HydrophobicContact CG-CB 4.35Å; F53-V191 HydrophobicContact CG-CG1 3.94Å; F53-V191 HydrophobicContact CG-CG2 3.96Å; F53-V191 HydrophobicContact CZ-CG2 4.23Å
54	L	89.6	Confident	79.8	Confident	7 Å²	7	51.7 Å²	51.7	4%	0.037	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.6	170.4	-171.1	68.5	0	0	0	108.9	L29 F69 L81 M123 F154 L180 L182	L29-L54 HydrophobicContact CD1-CD1 3.84Å; L54-F69 HydrophobicContact CD2-CE2 3.51Å; L54-F69 HydrophobicContact CD2-CZ 3.5Å; L54-F69 VanDerWaalsContact CD2-CZ 3.5Å; L54-F69 HydrophobicContact CG-CZ 4.31Å; L54-L81 HydrophobicContact CD2-CD2 4.13Å; L54-M123 HydrophobicContact CB-CB 4.3Å; L54-M123 HydrophobicContact CD2-SD 4.42Å; L54-M123 PolarHBondContact N-O 3.44Å; L54-M123 PolarHBondContact O-N 2.87Å; L54-F154 HydrophobicContact CB-CZ 4.21Å; L54-F154 HydrophobicContact CD2-CZ 4.42Å; L54-L180 HydrophobicContact CD1-CD1 4.42Å; L54-L182 HydrophobicContact CD1-CB 4.5Å; L54-L182 HydrophobicContact CD1-CD1 4.3Å
55	L	89.1	Confident	80.5	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.3	-177.6	-55	177.5	0	0	0	108.9	V121 M122 L180 K181 V183 V191 L194 Q195	L55-V121 CarbonylContact C-O 3.57Å; L55-V121 WeakPolarHBondContact CA-O 3.39Å; L55-M122 HydrophobicContact CD2-CB 3.62Å; L55-M122 HydrophobicContact CD2-CG 3.49Å; L55-M122 VanDerWaalsContact CD2-CG 3.49Å; L55-M122 HydrophobicContact CD2-SD 3.87Å; L55-L180 CarbonylContact O-C 3.46Å; L55-L180 VanDerWaalsContact O-CA 3.26Å; L55-L180 WeakPolarHBondContact O-CA 3.25Å; L55-K181 HydrophobicContact CB-CB 4.28Å; L55-K181 HydrophobicContact CD1-CB 4.48Å; L55-K181 PolarHBondContact N-O 2.74Å; L55-K181 PolarHBondContact O-N 2.81Å; L55-V183 HydrophobicContact CD1-CG2 3.89Å; L55-V183 HydrophobicContact CG-CG2 4.48Å; L55-V191 HydrophobicContact CD1-CG1 3.96Å; L55-V191 HydrophobicContact CD2-CG1 3.8Å; L55-V191 HydrophobicContact CG-CG1 4.28Å; L55-L194 HydrophobicContact CD1-CB 4.37Å; L55-Q195 HydrophobicContact CD1-CG 4.35Å; L55-Q195 HydrophobicContact CD2-CG 4.29Å
56	S	91	Very high	81.6	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.6	172	62.6	0	0	0	0	110.9	V121 D179	S56-V121 PolarHBondContact N-O 3.16Å; S56-V121 PolarHBondContact O-N 2.8Å; S56-D179 CarbonylContact C-O 3.6Å; S56-D179 VanDerWaalsContact CA-O 3.31Å; S56-D179 WeakPolarHBondContact CA-O 3.4Å
57	S	90.4	Very high	83	Confident	4 Å²	4	47.4 Å²	47.4	3%	0.028	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.2	175.4	-51.1	0	0	0	0	109.1	H119 H120 L177 T178 D179	S57-H119 CarbonylContact C-O 3.56Å; S57-H119 VanDerWaalsContact CA-O 3.28Å; S57-H119 WeakPolarHBondContact CA-O 3.34Å; S57-H120 WeakPolarHBondContact CB-ND1 3.49Å; S57-H120 PolarHBondContact OG-CE1 2.84Å; S57-H120 PolarHBondContact OG-ND1 3.22Å; S57-L177 CarbonylContact O-C 3.55Å; S57-L177 WeakPolarHBondContact O-CD1 3.33Å; S57-T178 VanDerWaalsContact C-OG1 3.29Å; S57-T178 VanDerWaalsContact CB-OG1 3.27Å; S57-T178 WeakPolarHBondContact CB-OG1 3.39Å; S57-T178 PolarHBondContact O-N 3.44Å; S57-T178 PolarHBondContact O-OG1 3.19Å; S57-T178 VanDerWaalsContact O-OG1 3.09Å; S57-D179 PolarHBondContact N-O 2.85Å; S57-D179 PolarHBondContact O-N 2.87Å
58	F	91.3	Very high	84.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	158.4	-176.3	66.8	-92.3	0	0	0	112.5	L60 L68 V85 M92 L113 E118 H119 V121 N176 L177	F58-L60 HydrophobicContact CD2-CD1 3.92Å; F58-L60 HydrophobicContact CD2-CG 3.78Å; F58-L60 HydrophobicContact CE2-CD1 3.91Å; F58-L60 HydrophobicContact CE2-CG 4.19Å; F58-L68 HydrophobicContact CB-CD1 4.41Å; F58-L68 HydrophobicContact CB-CD2 3.89Å; F58-L68 HydrophobicContact CD1-CD1 3.33Å; F58-L68 HydrophobicContact CD1-CD2 4.25Å; F58-L68 HydrophobicContact CD1-CG 4.44Å; F58-L68 HydrophobicContact CD2-CD1 4.47Å; F58-L68 HydrophobicContact CD2-CD2 4.21Å; F58-L68 HydrophobicContact CE1-CD1 3.55Å; F58-L68 HydrophobicContact CG-CD1 3.82Å; F58-L68 HydrophobicContact CG-CD2 3.85Å; F58-L68 HydrophobicContact CZ-CD1 4.21Å; F58-V85 HydrophobicContact CE1-CG2 4.43Å; F58-V85 HydrophobicContact CE2-CG2 4.2Å; F58-V85 HydrophobicContact CZ-CG2 3.91Å; F58-M92 HydrophobicContact CE1-CE 3.68Å; F58-M92 HydrophobicContact CZ-CE 4.08Å; F58-L113 HydrophobicContact CZ-CD2 4.4Å; F58-E118 WeakPolarHBondContact O-CA 3.47Å; F58-H119 HydrophobicContact CD2-CB 4.48Å; F58-H119 HydrophobicContact CE1-CB 4.06Å; F58-H119 HydrophobicContact CE2-CB 4.02Å; F58-H119 HydrophobicContact CZ-CB 3.8Å; F58-H119 PolarHBondContact N-O 2.72Å; F58-H119 PolarHBondContact O-N 3.49Å; F58-V121 HydrophobicContact CE1-CG2 3.79Å; F58-N176 WeakPolarHBondContact CA-O 3.45Å; F58-L177 HydrophobicContact CB-CD1 4.09Å
59	R	89.9	Confident	85.5	Confident	118 Å²	118	41.6 Å²	41.6	45%	0.445	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	118.1	174.3	-178.7	177.3	-168.5	179.4	6.8	108.6	G116 R117 D175 N176	R59-G116 PolarHBondContact NE-O 2.68Å; R59-G116 PolarHBondContact NH2-O 3.28Å; R59-R117 WeakPolarHBondContact CG-O 3.42Å; R59-D175 CarbonylContact O-C 3.56Å; R59-D175 WeakPolarHBondContact O-CA 3.44Å; R59-N176 PolarHBondContact N-O 3.39Å; R59-N176 PolarHBondContact O-N 2.93Å
60	L	88.3	Confident	86.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.			trans	-119.2	138.7	177.6	-61.7	174.5	0	0	0	110.1	F58 T66 L68 V85 A114 G116 L169 D175	F58-L60 HydrophobicContact CD2-CD1 3.92Å; F58-L60 HydrophobicContact CD2-CG 3.78Å; F58-L60 HydrophobicContact CE2-CD1 3.91Å; F58-L60 HydrophobicContact CE2-CG 4.19Å; L60-T66 HydrophobicContact CD2-CG2 3.97Å; L60-L68 HydrophobicContact CD1-CD2 4.41Å; L60-V85 HydrophobicContact CD1-CB 3.86Å; L60-V85 HydrophobicContact CD1-CG1 3.74Å; L60-V85 HydrophobicContact CD1-CG2 4.28Å; L60-A114 HydrophobicContact CB-CB 4.07Å; L60-A114 CarbonylContact O-C 3.49Å; L60-A114 VanDerWaalsContact O-CA 3.26Å; L60-A114 WeakPolarHBondContact O-CA 3.46Å; L60-G116 WeakPolarHBondContact O-CA 3.28Å; L60-G116 PolarHBondContact O-N 2.99Å; L60-L169 HydrophobicContact CD2-CD2 4.19Å; L60-D175 WeakPolarHBondContact CA-OD1 3.41Å; L60-D175 HydrophobicContact CD2-CB 3.78Å
61	Q	82.5	Confident	87.1	Confident	75 Å²	75	35.7 Å²	35.7	35%	0.35	18%	0.18	S	C	.	.			trans	-117.9	-28	169.4	-67.6	-157.4	-5.2	0	0	111.9	Q174 D175	Q61-Q174 HydrophobicContact CB-CB 4.07Å; Q61-Q174 HydrophobicContact CG-CB 4.02Å; Q61-D175 PolarHBondContact N-OD1 3.26Å
62	N	76.2	Confident	87.5	Confident	85 Å²	85	33 Å²	33	46%	0.455	17%	0.167	S	C	.	.			trans	-75.2	136.9	174.5	-167	-4.9	0	0	0	110.7	A64 D175	N62-A64 VanDerWaalsContact C-N 3.25Å; N62-A64 PolarHBondContact O-N 3.03Å; N62-A64 PolarHBondContact OD1-N 2.72Å; N62-A64 VanDerWaalsContact OD1-N 3.16Å; N62-D175 WeakPolarHBondContact CB-OD2 3.48Å; N62-D175 PolarHBondContact N-OD1 3.26Å
63	R	78.8	Confident	87.4	Confident	174 Å²	174	33.5 Å²	33.5	66%	0.657	17%	0.17	S	C	*	.			trans	-84.9	4.8	176.6	-64.2	-173.3	179.6	-172.3	-1.6	113.6	K88	R63-K88 PolarHBondContact O-N 3.29Å
64	A	80	Confident	87.2	Confident	36 Å²	36	36.2 Å²	36.2	30%	0.298	19%	0.188	S	C	.	.	S	Bend	trans	-72.1	149	176.2	0	0	0	0	0	112.1	N62 T66	N62-A64 VanDerWaalsContact C-N 3.25Å; N62-A64 PolarHBondContact O-N 3.03Å; N62-A64 PolarHBondContact OD1-N 2.72Å; N62-A64 VanDerWaalsContact OD1-N 3.16Å; A64-T66 PolarHBondContact O-N 3.4Å; A64-T66 PolarHBondContact O-OG1 2.89Å
65	P	84.5	Confident	86.9	Confident	108 Å²	108	43.4 Å²	43.4	70%	0.701	22%	0.219	S	C	*	.			trans	-57.6	123.7	172.6	-23.3	33.6	0	0	0	111.2	V85	P65-V85 WeakPolarHBondContact CA-O 3.35Å
66	T	87.9	Confident	86.7	Confident	16 Å²	16	47.5 Å²	47.5	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.2	-171.3	-59.1	0	0	0	0	110.8	L60 A64 N84 V85 L169	L60-T66 HydrophobicContact CD2-CG2 3.97Å; A64-T66 PolarHBondContact O-N 3.4Å; A64-T66 PolarHBondContact O-OG1 2.89Å; T66-N84 WeakPolarHBondContact O-CA 3.44Å; T66-V85 PolarHBondContact N-O 2.87Å; T66-V85 PolarHBondContact O-N 3.24Å; T66-L169 HydrophobicContact CG2-CD1 3.49Å; T66-L169 VanDerWaalsContact CG2-CD1 3.49Å; T66-L169 HydrophobicContact CG2-CD2 3.99Å; T66-L169 HydrophobicContact CG2-CG 4.38Å
67	S	90.9	Very high	86.4	Confident	42 Å²	42	52.9 Å²	52.9	29%	0.294	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	118.7	173.4	-174.8	0	0	0	0	109.9	E82 N84	S67-E82 PolarHBondContact OG-OE1 3.09Å; S67-E82 VanDerWaalsContact OG-OE1 3.14Å; S67-N84 WeakPolarHBondContact CA-OD1 3.27Å; S67-N84 WeakPolarHBondContact CB-OD1 3.4Å; S67-N84 PolarHBondContact OG-OD1 2.83Å
68	L	90.1	Very high	86.1	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-53.8	-177.5	-65.4	-176.8	0	0	0	111.1	F58 L60 L83 V85 M92 T168 L169 L177	F58-L68 HydrophobicContact CB-CD1 4.41Å; F58-L68 HydrophobicContact CB-CD2 3.89Å; F58-L68 HydrophobicContact CD1-CD1 3.33Å; F58-L68 HydrophobicContact CD1-CD2 4.25Å; F58-L68 HydrophobicContact CD1-CG 4.44Å; F58-L68 HydrophobicContact CD2-CD1 4.47Å; F58-L68 HydrophobicContact CD2-CD2 4.21Å; F58-L68 HydrophobicContact CE1-CD1 3.55Å; F58-L68 HydrophobicContact CG-CD1 3.82Å; F58-L68 HydrophobicContact CG-CD2 3.85Å; F58-L68 HydrophobicContact CZ-CD1 4.21Å; L60-L68 HydrophobicContact CD1-CD2 4.41Å; L68-L83 HydrophobicContact CD1-CD2 4.09Å; L68-L83 HydrophobicContact CD1-CG 4.3Å; L68-L83 PolarHBondContact N-O 2.97Å; L68-V85 HydrophobicContact CD1-CG2 3.66Å; L68-V85 HydrophobicContact CD2-CG2 4.32Å; L68-V85 HydrophobicContact CG-CG2 3.9Å; L68-M92 HydrophobicContact CD1-CE 3.34Å; L68-T168 CarbonylContact O-C 3.5Å; L68-L169 HydrophobicContact CD2-CD2 4.33Å; L68-L169 WeakPolarHBondContact O-CB 3.44Å; L68-L169 PolarHBondContact O-N 2.77Å; L68-L177 HydrophobicContact CB-CD1 4.45Å
69	F	91.8	Very high	86	Confident	3 Å²	3	58 Å²	58	1%	0.013	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	155.7	173.1	66.7	-93.2	0	0	0	111.4	L54 L81 E82 L83 M123 L166 R167 T168 L180	L54-F69 HydrophobicContact CD2-CE2 3.51Å; L54-F69 HydrophobicContact CD2-CZ 3.5Å; L54-F69 VanDerWaalsContact CD2-CZ 3.5Å; L54-F69 HydrophobicContact CG-CZ 4.31Å; F69-L81 HydrophobicContact CE2-CD2 4.31Å; F69-E82 WeakPolarHBondContact O-CA 3.28Å; F69-L83 HydrophobicContact CD1-CB 4.32Å; F69-L83 HydrophobicContact CD1-CD2 4.34Å; F69-L83 HydrophobicContact CE1-CB 3.88Å; F69-L83 HydrophobicContact CE1-CD2 3.49Å; F69-L83 VanDerWaalsContact CE1-CD2 3.49Å; F69-L83 HydrophobicContact CE1-CG 4.35Å; F69-L83 HydrophobicContact CE2-CB 4.42Å; F69-L83 HydrophobicContact CZ-CB 3.92Å; F69-L83 HydrophobicContact CZ-CD2 3.94Å; F69-L83 PolarHBondContact O-N 3.18Å; F69-M123 HydrophobicContact CZ-CE 4.26Å; F69-M123 HydrophobicContact CZ-SD 4.44Å; F69-L166 HydrophobicContact CB-CD1 4.43Å; F69-R167 CarbonylContact C-O 3.51Å; F69-R167 VanDerWaalsContact CA-O 3.3Å; F69-R167 WeakPolarHBondContact CA-O 3.4Å; F69-T168 HydrophobicContact CB-CG2 4.25Å; F69-L180 HydrophobicContact CB-CD2 4.26Å; F69-L180 HydrophobicContact CD1-CD1 3.71Å; F69-L180 HydrophobicContact CE1-CD1 3.87Å; F69-L180 HydrophobicContact CG-CD1 4.14Å; F69-L180 HydrophobicContact CG-CD2 4.39Å; F69-L180 HydrophobicContact CZ-CD1 4.45Å
70	S	91	Very high	85.9	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.028	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	132.6	174.2	54.4	0	0	0	0	111.5	L81 R167	S70-L81 CarbonylContact C-O 3.51Å; S70-L81 WeakPolarHBondContact CA-O 3.49Å; S70-R167 PolarHBondContact N-O 3Å; S70-R167 PolarHBondContact O-N 3.18Å; S70-R167 PolarHBondContact OG-O 3.29Å
71	V	89.6	Confident	86.1	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.7	167.5	-176.7	0	0	0	0	106.8	L36 K79 Y80 L81 L157 V164 L166	L36-V71 HydrophobicContact CD2-CG2 4.12Å; V71-K79 CarbonylContact O-C 3.59Å; V71-Y80 HydrophobicContact CG1-CD2 4.34Å; V71-Y80 PolarHBondContact O-N 2.91Å; V71-L81 HydrophobicContact CB-CB 4.21Å; V71-L81 HydrophobicContact CG2-CB 4.36Å; V71-L81 PolarHBondContact N-O 2.88Å; V71-L81 PolarHBondContact O-N 2.88Å; V71-L157 HydrophobicContact CG1-CD1 4.36Å; V71-V164 HydrophobicContact CG1-CG1 3.58Å; V71-L166 HydrophobicContact CG2-CD1 4.11Å
72	L	90	Very high	86.6	Confident	14 Å²	14	50.2 Å²	50.2	7%	0.073	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	163.3	-170.2	65.1	83.8	0	0	0	112.9	P74 T78 K79 V164 A165 R167	L72-P74 HydrophobicContact CD1-CB 4.42Å; L72-T78 CarbonylContact C-O 3.59Å; L72-T78 WeakPolarHBondContact CA-O 3.39Å; L72-T78 WeakPolarHBondContact CB-O 3.1Å; L72-K79 HydrophobicContact CB-CG 4.3Å; L72-V164 CarbonylContact O-C 3.53Å; L72-V164 WeakPolarHBondContact O-CA 3.31Å; L72-A165 HydrophobicContact CD1-CB 4.14Å; L72-A165 PolarHBondContact N-O 3.46Å; L72-A165 PolarHBondContact O-N 2.83Å; L72-R167 HydrophobicContact CD2-CB 3.89Å
73	N	85.6	Confident	87.4	Confident	12 Å²	12	46.2 Å²	46.2	6%	0.064	24%	0.242	C	C	.	.			trans	-88.1	117.9	167.9	176.1	-14.2	0	0	0	109.4	K75 D76 N77 T78 Y80	N73-K75 PolarHBondContact O-N 3.1Å; N73-K75 VanDerWaalsContact O-N 3.15Å; N73-K75 WeakPolarHBondContact OD1-CB 3.48Å; N73-K75 PolarHBondContact OD1-N 2.81Å; N73-D76 VanDerWaalsContact CB-OD1 3.22Å; N73-D76 WeakPolarHBondContact CB-OD1 3.26Å; N73-D76 VanDerWaalsContact ND2-CG 3.34Å; N73-D76 PolarHBondContact ND2-OD1 2.91Å; N73-D76 PolarHBondContact ND2-OD2 2.85Å; N73-N77 VanDerWaalsContact O-CA 3.24Å; N73-N77 WeakPolarHBondContact O-CA 3.35Å; N73-N77 PolarHBondContact O-N 2.83Å; N73-T78 VanDerWaalsContact CB-OG1 3.29Å; N73-T78 WeakPolarHBondContact CB-OG1 3.45Å; N73-T78 PolarHBondContact N-O 3.15Å; N73-Y80 HydrophobicContact CB-CE2 3.8Å
74	P	82.8	Confident	88	Confident	57 Å²	57	39.7 Å²	39.7	37%	0.37	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-8.8	-173.3	28.9	-35.4	0	0	0	114.1	L72 N162 A165	L72-P74 HydrophobicContact CD1-CB 4.42Å; P74-N162 WeakPolarHBondContact CG-O 3.07Å; P74-A165 HydrophobicContact CB-CB 4.03Å; P74-A165 HydrophobicContact CG-CB 4.09Å
75	K	83.4	Confident	88.5	Confident	157 Å²	157	38 Å²	38	68%	0.683	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-37	179.8	-66.7	-169.2	178	-171.3	0	113.6	N73	N73-K75 PolarHBondContact O-N 3.1Å; N73-K75 VanDerWaalsContact O-N 3.15Å; N73-K75 WeakPolarHBondContact OD1-CB 3.48Å; N73-K75 PolarHBondContact OD1-N 2.81Å
76	D	85.4	Confident	88.6	Confident	89 Å²	89	36 Å²	36	48%	0.476	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-1	-175	55.3	31.7	0	0	0	113.2	N73 T78	N73-D76 VanDerWaalsContact CB-OD1 3.22Å; N73-D76 WeakPolarHBondContact CB-OD1 3.26Å; N73-D76 VanDerWaalsContact ND2-CG 3.34Å; N73-D76 PolarHBondContact ND2-OD1 2.91Å; N73-D76 PolarHBondContact ND2-OD2 2.85Å; D76-T78 HydrophobicContact CB-CG2 4.39Å; D76-T78 PolarHBondContact O-N 3.44Å; D76-T78 VanDerWaalsContact OD1-CB 3.31Å; D76-T78 WeakPolarHBondContact OD1-CB 3.47Å; D76-T78 VanDerWaalsContact OD1-CG2 3.31Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.3Å; D76-T78 PolarHBondContact OD1-N 3.34Å; D76-T78 PolarHBondContact OD1-OG1 3.47Å
77	N	83.2	Confident	88.1	Confident	114 Å²	114	35.6 Å²	35.6	61%	0.61	19%	0.185	S	C	*	.			trans	59.3	19.2	-175.8	-67.1	-42.1	0	0	0	114.8	N73 K79	N73-N77 VanDerWaalsContact O-CA 3.24Å; N73-N77 WeakPolarHBondContact O-CA 3.35Å; N73-N77 PolarHBondContact O-N 2.83Å; N77-K79 PolarHBondContact O-N 2.77Å
78	T	85.6	Confident	87.4	Confident	48 Å²	48	41.9 Å²	41.9	29%	0.294	21%	0.207	S	C	.	.			trans	-64.6	128.7	171.7	54.1	0	0	0	0	109.8	L72 N73 D76	L72-T78 CarbonylContact C-O 3.59Å; L72-T78 WeakPolarHBondContact CA-O 3.39Å; L72-T78 WeakPolarHBondContact CB-O 3.1Å; N73-T78 VanDerWaalsContact CB-OG1 3.29Å; N73-T78 WeakPolarHBondContact CB-OG1 3.45Å; N73-T78 PolarHBondContact N-O 3.15Å; D76-T78 HydrophobicContact CB-CG2 4.39Å; D76-T78 PolarHBondContact O-N 3.44Å; D76-T78 VanDerWaalsContact OD1-CB 3.31Å; D76-T78 WeakPolarHBondContact OD1-CB 3.47Å; D76-T78 VanDerWaalsContact OD1-CG2 3.31Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.3Å; D76-T78 PolarHBondContact OD1-N 3.34Å; D76-T78 PolarHBondContact OD1-OG1 3.47Å
79	K	88.6	Confident	86.8	Confident	65 Å²	65	47 Å²	47	28%	0.283	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.9	-176.8	-57	-176.5	-165.5	174.4	0	109.7	V71 L72 N77 E82 F103	V71-K79 CarbonylContact O-C 3.59Å; L72-K79 HydrophobicContact CB-CG 4.3Å; N77-K79 PolarHBondContact O-N 2.77Å; K79-E82 HydrophobicContact CD-CB 4.07Å; K79-E82 VanDerWaalsContact CD-CD 3.45Å; K79-E82 HydrophobicContact CD-CG 4.32Å; K79-E82 VanDerWaalsContact CD-OE2 3.22Å; K79-E82 WeakPolarHBondContact CD-OE2 3.38Å; K79-E82 WeakPolarHBondContact CE-OE1 3.46Å; K79-E82 IonicContact NZ-OE1 3.93Å; K79-E82 PolarHBondContact NZ-OE1 2.93Å; K79-E82 IonicContact NZ-OE2 3.55Å; K79-E82 PolarHBondContact NZ-OE2 2.77Å; K79-F103 WeakPolarHBondContact O-CE1 3.47Å
80	Y	88.8	Confident	86.4	Confident	17 Å²	17	48.8 Å²	48.8	7%	0.067	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-33.1	176	-61.4	-64.2	0	0	0	112.4	V71 N73 Y96 Q97 L157 V164	V71-Y80 HydrophobicContact CG1-CD2 4.34Å; V71-Y80 PolarHBondContact O-N 2.91Å; N73-Y80 HydrophobicContact CB-CE2 3.8Å; Y80-Y96 WeakPolarHBondContact O-CA 3.34Å; Y80-Q97 VanDerWaalsContact CE1-OE1 3.26Å; Y80-Q97 PolarHBondContact O-N 3.01Å; Y80-L157 HydrophobicContact CD1-CD2 3.56Å; Y80-L157 HydrophobicContact CD2-CD2 3.69Å; Y80-L157 HydrophobicContact CE1-CD2 3.99Å; Y80-L157 HydrophobicContact CE2-CD2 4.09Å; Y80-L157 HydrophobicContact CG-CD2 3.41Å; Y80-L157 VanDerWaalsContact CG-CD2 3.41Å; Y80-V164 HydrophobicContact CE2-CG2 4.19Å
81	L	91.4	Very high	86.2	Confident	1 Å²	1	52 Å²	52	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	134.6	177.8	-172.5	67.5	0	0	0	108.3	L54 F69 S70 V71 L94 R95 P151 A153 F154	L54-L81 HydrophobicContact CD2-CD2 4.13Å; F69-L81 HydrophobicContact CE2-CD2 4.31Å; S70-L81 CarbonylContact C-O 3.51Å; S70-L81 WeakPolarHBondContact CA-O 3.49Å; V71-L81 HydrophobicContact CB-CB 4.21Å; V71-L81 HydrophobicContact CG2-CB 4.36Å; V71-L81 PolarHBondContact N-O 2.88Å; V71-L81 PolarHBondContact O-N 2.88Å; L81-L94 HydrophobicContact CD1-CD1 3.46Å; L81-L94 VanDerWaalsContact CD1-CD1 3.46Å; L81-L94 HydrophobicContact CD1-CD2 4.31Å; L81-L94 HydrophobicContact CD1-CG 4.09Å; L81-L94 HydrophobicContact CG-CD1 4.1Å; L81-R95 CarbonylContact C-O 3.59Å; L81-R95 WeakPolarHBondContact CA-O 3.22Å; L81-P151 HydrophobicContact CD1-CB 4.22Å; L81-P151 HydrophobicContact CD1-CG 4.36Å; L81-A153 HydrophobicContact CB-CB 3.83Å; L81-A153 HydrophobicContact CD2-CB 4.14Å; L81-F154 HydrophobicContact CD2-CE2 4.07Å; L81-F154 HydrophobicContact CD2-CZ 4.33Å
82	E	93.4	Very high	86.2	Confident	11 Å²	11	51.9 Å²	51.9	5%	0.051	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	129.4	176.8	172.7	171.4	-121	0	0	110	S67 F69 K79 N84 L94 R95	S67-E82 PolarHBondContact OG-OE1 3.09Å; S67-E82 VanDerWaalsContact OG-OE1 3.14Å; F69-E82 WeakPolarHBondContact O-CA 3.28Å; K79-E82 HydrophobicContact CD-CB 4.07Å; K79-E82 VanDerWaalsContact CD-CD 3.45Å; K79-E82 HydrophobicContact CD-CG 4.32Å; K79-E82 VanDerWaalsContact CD-OE2 3.22Å; K79-E82 WeakPolarHBondContact CD-OE2 3.38Å; K79-E82 WeakPolarHBondContact CE-OE1 3.46Å; K79-E82 IonicContact NZ-OE1 3.93Å; K79-E82 PolarHBondContact NZ-OE1 2.93Å; K79-E82 IonicContact NZ-OE2 3.55Å; K79-E82 PolarHBondContact NZ-OE2 2.77Å; E82-N84 VanDerWaalsContact CG-OD1 3.29Å; E82-N84 WeakPolarHBondContact CG-OD1 3.17Å; E82-N84 PolarHBondContact OE2-ND2 3.13Å; E82-L94 CarbonylContact O-C 3.58Å; E82-L94 WeakPolarHBondContact O-CA 3.22Å; E82-R95 HydrophobicContact CB-CB 4.43Å; E82-R95 PolarHBondContact N-O 2.99Å; E82-R95 PolarHBondContact O-N 3.14Å
83	L	92.6	Very high	86.3	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.8	176.1	-175.5	62	0	0	0	109.8	L68 F69 M92 L94 V121 M123	L68-L83 HydrophobicContact CD1-CD2 4.09Å; L68-L83 HydrophobicContact CD1-CG 4.3Å; L68-L83 PolarHBondContact N-O 2.97Å; F69-L83 HydrophobicContact CD1-CB 4.32Å; F69-L83 HydrophobicContact CD1-CD2 4.34Å; F69-L83 HydrophobicContact CE1-CB 3.88Å; F69-L83 HydrophobicContact CE1-CD2 3.49Å; F69-L83 VanDerWaalsContact CE1-CD2 3.49Å; F69-L83 HydrophobicContact CE1-CG 4.35Å; F69-L83 HydrophobicContact CE2-CB 4.42Å; F69-L83 HydrophobicContact CZ-CB 3.92Å; F69-L83 HydrophobicContact CZ-CD2 3.94Å; F69-L83 PolarHBondContact O-N 3.18Å; L83-M92 HydrophobicContact CD1-CE 3.64Å; L83-M92 HydrophobicContact CD1-CG 3.76Å; L83-M92 HydrophobicContact CD1-SD 3.87Å; L83-M92 HydrophobicContact CD2-CE 3.47Å; L83-M92 VanDerWaalsContact CD2-CE 3.47Å; L83-M92 HydrophobicContact CD2-SD 4.48Å; L83-M92 HydrophobicContact CG-CE 3.49Å; L83-M92 VanDerWaalsContact CG-CE 3.49Å; L83-M92 HydrophobicContact CG-SD 4.39Å; L83-L94 HydrophobicContact CB-CD1 4.36Å; L83-L94 HydrophobicContact CD1-CB 4.35Å; L83-L94 HydrophobicContact CD1-CD1 4.24Å; L83-V121 HydrophobicContact CD2-CG1 4.16Å; L83-M123 HydrophobicContact CB-CE 4.18Å; L83-M123 HydrophobicContact CD1-CE 3.64Å; L83-M123 HydrophobicContact CD2-CE 3.55Å; L83-M123 HydrophobicContact CG-CE 3.98Å
84	N	92.1	Very high	86.6	Confident	38 Å²	38	51.4 Å²	51.4	20%	0.203	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.1	-176.9	-64	-34.7	0	0	0	110.7	T66 S67 E82 M92 T93	T66-N84 WeakPolarHBondContact O-CA 3.44Å; S67-N84 WeakPolarHBondContact CA-OD1 3.27Å; S67-N84 WeakPolarHBondContact CB-OD1 3.4Å; S67-N84 PolarHBondContact OG-OD1 2.83Å; E82-N84 VanDerWaalsContact CG-OD1 3.29Å; E82-N84 WeakPolarHBondContact CG-OD1 3.17Å; E82-N84 PolarHBondContact OE2-ND2 3.13Å; N84-M92 CarbonylContact O-C 3.52Å; N84-M92 WeakPolarHBondContact O-CA 3.43Å; N84-M92 WeakPolarHBondContact O-CG 3.29Å; N84-T93 PolarHBondContact N-O 3.29Å; N84-T93 PolarHBondContact O-N 3.41Å
85	V	90.1	Very high	87	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.6	174.7	178.8	0	0	0	0	109.3	F58 L60 P65 T66 L68 A87 M92 L113	F58-V85 HydrophobicContact CE1-CG2 4.43Å; F58-V85 HydrophobicContact CE2-CG2 4.2Å; F58-V85 HydrophobicContact CZ-CG2 3.91Å; L60-V85 HydrophobicContact CD1-CB 3.86Å; L60-V85 HydrophobicContact CD1-CG1 3.74Å; L60-V85 HydrophobicContact CD1-CG2 4.28Å; P65-V85 WeakPolarHBondContact CA-O 3.35Å; T66-V85 PolarHBondContact N-O 2.87Å; T66-V85 PolarHBondContact O-N 3.24Å; L68-V85 HydrophobicContact CD1-CG2 3.66Å; L68-V85 HydrophobicContact CD2-CG2 4.32Å; L68-V85 HydrophobicContact CG-CG2 3.9Å; V85-A87 HydrophobicContact CG1-CB 4.48Å; V85-M92 HydrophobicContact CG2-CE 3.42Å; V85-M92 VanDerWaalsContact CG2-CE 3.42Å; V85-M92 HydrophobicContact CG2-CG 4.1Å; V85-M92 HydrophobicContact CG2-SD 4.39Å; V85-L113 HydrophobicContact CG1-CB 3.87Å; V85-L113 HydrophobicContact CG1-CD1 3.92Å
86	Q	86.9	Confident	87.4	Confident	67 Å²	67	47 Å²	47	31%	0.313	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	79.5	171.8	-66.1	-177.5	-15.3	0	0	109	K88 L89 S90 K91	Q86-K88 VanDerWaalsContact C-N 3.29Å; Q86-K88 PolarHBondContact O-N 2.79Å; Q86-L89 HydrophobicContact CB-CB 4.46Å; Q86-L89 CarbonylContact O-C 3.46Å; Q86-L89 PolarHBondContact O-N 3.17Å; Q86-S90 PolarHBondContact O-N 3.37Å; Q86-K91 WeakPolarHBondContact CA-O 3.38Å; Q86-K91 HydrophobicContact CB-CB 4.34Å; Q86-K91 PolarHBondContact N-O 3.14Å; Q86-K91 PolarHBondContact O-N 3.35Å
87	A	78	Confident	87.5	Confident	6 Å²	6	44.4 Å²	44.4	5%	0.05	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-57.2	-31.5	-172.4	0	0	0	0	0	115.6	V85 L89 S90 A114	V85-A87 HydrophobicContact CG1-CB 4.48Å; A87-L89 VanDerWaalsContact C-N 3.28Å; A87-L89 PolarHBondContact O-N 3.14Å; A87-S90 PolarHBondContact O-N 3.39Å; A87-A114 HydrophobicContact CB-CB 3.39Å
88	K	76.1	Confident	87.6	Confident	175 Å²	175	41.9 Å²	41.9	76%	0.761	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-66.1	-31.3	175.9	-170.3	-175.5	176.4	-165.3	0	112.6	R63 Q86	R63-K88 PolarHBondContact O-N 3.29Å; Q86-K88 VanDerWaalsContact C-N 3.29Å; Q86-K88 PolarHBondContact O-N 2.79Å
89	L	76.3	Confident	87.1	Confident	108 Å²	108	43.5 Å²	43.5	57%	0.565	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-100.8	3.5	-176.9	-61.7	175	0	0	0	112.1	Q86 A87 K91	Q86-L89 HydrophobicContact CB-CB 4.46Å; Q86-L89 CarbonylContact O-C 3.46Å; Q86-L89 PolarHBondContact O-N 3.17Å; A87-L89 VanDerWaalsContact C-N 3.28Å; A87-L89 PolarHBondContact O-N 3.14Å; L89-K91 HydrophobicContact CB-CB 3.94Å; L89-K91 PolarHBondContact O-N 2.74Å
90	S	83.7	Confident	86.5	Confident	40 Å²	40	44.6 Å²	44.6	28%	0.28	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	35.7	-173.6	-58.7	0	0	0	0	112.1	Q86 A87 N109 H110	Q86-S90 PolarHBondContact O-N 3.37Å; A87-S90 PolarHBondContact O-N 3.39Å; S90-N109 WeakPolarHBondContact O-CA 3.36Å; S90-H110 VanDerWaalsContact CB-O 3.31Å; S90-H110 WeakPolarHBondContact CB-O 3.05Å; S90-H110 PolarHBondContact O-N 2.99Å
91	K	87.1	Confident	85.9	Confident	70 Å²	70	45.4 Å²	45.4	30%	0.304	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.4	-170.4	-175.8	171.3	-176.4	169.6	0	109.9	Q86 L89	Q86-K91 WeakPolarHBondContact CA-O 3.38Å; Q86-K91 HydrophobicContact CB-CB 4.34Å; Q86-K91 PolarHBondContact N-O 3.14Å; Q86-K91 PolarHBondContact O-N 3.35Å; L89-K91 HydrophobicContact CB-CB 3.94Å; L89-K91 PolarHBondContact O-N 2.74Å
92	M	89.4	Confident	85.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136	174.5	-167	173.6	-144.6	0	0	109.2	F58 L68 L83 N84 V85 S107 F108 L113 V121	F58-M92 HydrophobicContact CE1-CE 3.68Å; F58-M92 HydrophobicContact CZ-CE 4.08Å; L68-M92 HydrophobicContact CD1-CE 3.34Å; L83-M92 HydrophobicContact CD1-CE 3.64Å; L83-M92 HydrophobicContact CD1-CG 3.76Å; L83-M92 HydrophobicContact CD1-SD 3.87Å; L83-M92 HydrophobicContact CD2-CE 3.47Å; L83-M92 VanDerWaalsContact CD2-CE 3.47Å; L83-M92 HydrophobicContact CD2-SD 4.48Å; L83-M92 HydrophobicContact CG-CE 3.49Å; L83-M92 VanDerWaalsContact CG-CE 3.49Å; L83-M92 HydrophobicContact CG-SD 4.39Å; N84-M92 CarbonylContact O-C 3.52Å; N84-M92 WeakPolarHBondContact O-CA 3.43Å; N84-M92 WeakPolarHBondContact O-CG 3.29Å; V85-M92 HydrophobicContact CG2-CE 3.42Å; V85-M92 VanDerWaalsContact CG2-CE 3.42Å; V85-M92 HydrophobicContact CG2-CG 4.1Å; V85-M92 HydrophobicContact CG2-SD 4.39Å; M92-S107 CarbonylContact O-C 3.59Å; M92-S107 WeakPolarHBondContact O-CA 3.45Å; M92-F108 HydrophobicContact CB-CD2 4Å; M92-F108 HydrophobicContact CB-CE2 3.52Å; M92-F108 HydrophobicContact CB-CZ 3.9Å; M92-F108 HydrophobicContact CG-CE2 3.82Å; M92-F108 HydrophobicContact CG-CZ 3.81Å; M92-F108 PolarHBondContact N-O 3.32Å; M92-F108 PolarHBondContact O-N 3.21Å; M92-F108 HydrophobicContact SD-CE2 3.69Å; M92-F108 HydrophobicContact SD-CZ 3.84Å; M92-L113 HydrophobicContact CB-CD1 4.2Å; M92-V121 HydrophobicContact CE-CG2 3.76Å; M92-V121 HydrophobicContact SD-CG1 4.49Å; M92-V121 HydrophobicContact SD-CG2 3.77Å
93	T	90.9	Very high	85.1	Confident	16 Å²	16	57.3 Å²	57.3	10%	0.098	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123	-173.8	-57.8	0	0	0	0	109.8	N84 T105 T106 S107	N84-T93 PolarHBondContact N-O 3.29Å; N84-T93 PolarHBondContact O-N 3.41Å; T93-T105 HydrophobicContact CG2-CG2 3.3Å; T93-T106 CarbonylContact C-O 3.57Å; T93-T106 WeakPolarHBondContact CA-O 3.31Å; T93-S107 WeakPolarHBondContact CG2-OG 3.31Å; T93-S107 PolarHBondContact OG1-OG 3.24Å
94	L	92.5	Very high	84.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.1	170.6	-178.7	66.4	0	0	0	109.4	L81 E82 L83 Y96 T105 T106 M123 L135 I137	L81-L94 HydrophobicContact CD1-CD1 3.46Å; L81-L94 VanDerWaalsContact CD1-CD1 3.46Å; L81-L94 HydrophobicContact CD1-CD2 4.31Å; L81-L94 HydrophobicContact CD1-CG 4.09Å; L81-L94 HydrophobicContact CG-CD1 4.1Å; E82-L94 CarbonylContact O-C 3.58Å; E82-L94 WeakPolarHBondContact O-CA 3.22Å; L83-L94 HydrophobicContact CB-CD1 4.36Å; L83-L94 HydrophobicContact CD1-CB 4.35Å; L83-L94 HydrophobicContact CD1-CD1 4.24Å; L94-Y96 HydrophobicContact CD2-CD1 4.35Å; L94-Y96 HydrophobicContact CG-CD1 4.24Å; L94-T105 CarbonylContact O-C 3.53Å; L94-T105 WeakPolarHBondContact O-CA 3.49Å; L94-T106 HydrophobicContact CB-CG2 3.75Å; L94-T106 HydrophobicContact CD2-CG2 4.25Å; L94-T106 HydrophobicContact CG-CG2 4.43Å; L94-T106 PolarHBondContact N-O 2.62Å; L94-T106 PolarHBondContact O-N 2.93Å; L94-M123 HydrophobicContact CD1-CE 3.51Å; L94-M123 HydrophobicContact CD1-SD 4.16Å; L94-M123 HydrophobicContact CD2-CE 4.19Å; L94-M123 HydrophobicContact CD2-SD 4.38Å; L94-M123 HydrophobicContact CG-CE 4.36Å; L94-L135 HydrophobicContact CD2-CD2 3.7Å; L94-I137 HydrophobicContact CB-CD1 4.44Å; L94-I137 HydrophobicContact CD2-CD1 3.55Å
95	R	91.6	Very high	84.6	Confident	104 Å²	104	60 Å²	60	39%	0.392	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.3	170.5	-179.4	177.5	174.1	168.3	3	109.2	L81 E82 T105	L81-R95 CarbonylContact C-O 3.59Å; L81-R95 WeakPolarHBondContact CA-O 3.22Å; E82-R95 HydrophobicContact CB-CB 4.43Å; E82-R95 PolarHBondContact N-O 2.99Å; E82-R95 PolarHBondContact O-N 3.14Å; R95-T105 HydrophobicContact CB-CG2 4.49Å
96	Y	91.6	Very high	84.4	Confident	17 Å²	17	60.7 Å²	60.7	7%	0.067	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.8	-178.9	61.8	-82.4	0	0	0	112.1	Y80 L94 K98 F103 G104 T106 V147 P151	Y80-Y96 WeakPolarHBondContact O-CA 3.34Å; L94-Y96 HydrophobicContact CD2-CD1 4.35Å; L94-Y96 HydrophobicContact CG-CD1 4.24Å; Y96-K98 HydrophobicContact CD2-CG 4.49Å; Y96-K98 HydrophobicContact CE2-CG 4.05Å; Y96-F103 CarbonylContact O-C 3.38Å; Y96-F103 WeakPolarHBondContact O-CA 3.49Å; Y96-G104 PolarHBondContact N-O 3.21Å; Y96-G104 PolarHBondContact O-N 2.82Å; Y96-G104 VanDerWaalsContact O-O 3.08Å; Y96-T106 HydrophobicContact CE1-CG2 4.38Å; Y96-V147 HydrophobicContact CE1-CG1 4.23Å; Y96-V147 HydrophobicContact CE2-CG1 4.34Å; Y96-V147 WeakPolarHBondContact OH-CG1 3.43Å; Y96-P151 HydrophobicContact CD2-CB 4.02Å; Y96-P151 HydrophobicContact CD2-CG 3.86Å; Y96-P151 HydrophobicContact CE2-CG 4.49Å; Y96-P151 HydrophobicContact CG-CB 4.25Å; Y96-P151 HydrophobicContact CG-CG 4.02Å
97	Q	88	Confident	84.5	Confident	35 Å²	35	59.7 Å²	59.7	16%	0.164	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131	169.7	-166	174.5	25.4	0	0	108.8	Y80 G101 R102 F103 A152	Y80-Q97 VanDerWaalsContact CE1-OE1 3.26Å; Y80-Q97 PolarHBondContact O-N 3.01Å; Q97-G101 PolarHBondContact NE2-O 2.66Å; Q97-R102 CarbonylContact C-O 3.47Å; Q97-R102 WeakPolarHBondContact CA-O 3.32Å; Q97-F103 HydrophobicContact CB-CD1 3.95Å; Q97-F103 HydrophobicContact CB-CE1 3.81Å; Q97-F103 HydrophobicContact CG-CD1 4.16Å; Q97-F103 HydrophobicContact CG-CE1 3.9Å; Q97-F103 HydrophobicContact CG-CZ 4.25Å; Q97-A152 HydrophobicContact CB-CB 4.26Å; Q97-A152 VanDerWaalsContact O-CB 3.24Å; Q97-A152 WeakPolarHBondContact O-CB 3.46Å; Q97-A152 PolarHBondContact O-N 2.81Å
98	K	84.4	Confident	84.9	Confident	62 Å²	62	59.9 Å²	59.9	27%	0.27	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-74.1	163.6	172.8	-61.9	-174.6	171.9	-175.8	0	110.4	Y96 D100 G101 R102 D149	Y96-K98 HydrophobicContact CD2-CG 4.49Å; Y96-K98 HydrophobicContact CE2-CG 4.05Å; K98-D100 VanDerWaalsContact CB-OD1 3.25Å; K98-D100 WeakPolarHBondContact CB-OD1 3.24Å; K98-D100 PolarHBondContact O-N 3.03Å; K98-G101 PolarHBondContact O-N 2.79Å; K98-G101 VanDerWaalsContact O-N 3.11Å; K98-R102 HydrophobicContact CD-CB 4.42Å; K98-R102 PolarHBondContact N-O 3.31Å; K98-D149 WeakPolarHBondContact CD-OD2 3.31Å; K98-D149 WeakPolarHBondContact CE-OD2 3.44Å; K98-D149 WeakPolarHBondContact CG-OD2 3.33Å; K98-D149 IonicContact NZ-OD2 3.5Å
99	T	74.5	Confident	85.1	Confident	82 Å²	82	57.3 Å²	57.3	50%	0.503	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.2	-179.9	52.1	0	0	0	0	114.1	G101	T99-G101 VanDerWaalsContact C-N 3.29Å
100	D	77.3	Confident	85.1	Confident	87 Å²	87	54.1 Å²	54.1	47%	0.465	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.8	175.7	67.3	1.1	0	0	0	113.6	K98 R102	K98-D100 VanDerWaalsContact CB-OD1 3.25Å; K98-D100 WeakPolarHBondContact CB-OD1 3.24Å; K98-D100 PolarHBondContact O-N 3.03Å; D100-R102 WeakPolarHBondContact OD1-CB 3.5Å; D100-R102 PolarHBondContact OD1-N 3.28Å; D100-R102 IonicContact OD1-NE 3.34Å; D100-R102 IonicContact OD2-CZ 3.44Å; D100-R102 IonicContact OD2-NE 2.87Å; D100-R102 PolarHBondContact OD2-NE 2.9Å; D100-R102 IonicContact OD2-NH2 2.91Å; D100-R102 PolarHBondContact OD2-NH2 3.46Å
101	G	75.7	Confident	84.5	Confident	35 Å²	35	54.6 Å²	54.6	36%	0.361	29%	0.291	S	S	.	.	S	Bend	trans	95.5	-10.2	179	0	0	0	0	0	115.2	Q97 K98 T99	Q97-G101 PolarHBondContact NE2-O 2.66Å; K98-G101 PolarHBondContact O-N 2.79Å; K98-G101 VanDerWaalsContact O-N 3.11Å; T99-G101 VanDerWaalsContact C-N 3.29Å
102	R	83.4	Confident	84.1	Confident	168 Å²	168	54.1 Å²	54.1	63%	0.634	30%	0.296	S	S	*	.			trans	-70.4	159.2	172.9	-69.3	-174.3	-78.4	-174.3	-5.4	110.9	Q97 K98 D100	Q97-R102 CarbonylContact C-O 3.47Å; Q97-R102 WeakPolarHBondContact CA-O 3.32Å; K98-R102 HydrophobicContact CD-CB 4.42Å; K98-R102 PolarHBondContact N-O 3.31Å; D100-R102 WeakPolarHBondContact OD1-CB 3.5Å; D100-R102 PolarHBondContact OD1-N 3.28Å; D100-R102 IonicContact OD1-NE 3.34Å; D100-R102 IonicContact OD2-CZ 3.44Å; D100-R102 IonicContact OD2-NE 2.87Å; D100-R102 PolarHBondContact OD2-NE 2.9Å; D100-R102 IonicContact OD2-NH2 2.91Å; D100-R102 PolarHBondContact OD2-NH2 3.46Å
103	F	84.9	Confident	83.8	Confident	93 Å²	93	54.2 Å²	54.2	41%	0.408	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.9	176	-67.3	-83.7	0	0	0	109.9	K79 Y96 Q97	K79-F103 WeakPolarHBondContact O-CE1 3.47Å; Y96-F103 CarbonylContact O-C 3.38Å; Y96-F103 WeakPolarHBondContact O-CA 3.49Å; Q97-F103 HydrophobicContact CB-CD1 3.95Å; Q97-F103 HydrophobicContact CB-CE1 3.81Å; Q97-F103 HydrophobicContact CG-CD1 4.16Å; Q97-F103 HydrophobicContact CG-CE1 3.9Å; Q97-F103 HydrophobicContact CG-CZ 4.25Å
104	G	84.3	Confident	83.3	Confident	9 Å²	9	53.9 Å²	53.9	9%	0.093	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	149.5	168.4	0	0	0	0	0	110.2	Y96	Y96-G104 PolarHBondContact N-O 3.21Å; Y96-G104 PolarHBondContact O-N 2.82Å; Y96-G104 VanDerWaalsContact O-O 3.08Å
105	T	89.4	Confident	82.9	Confident	87 Å²	87	57 Å²	57	53%	0.534	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.5	170.2	-56.1	0	0	0	0	107.7	T93 L94 R95	T93-T105 HydrophobicContact CG2-CG2 3.3Å; L94-T105 CarbonylContact O-C 3.53Å; L94-T105 WeakPolarHBondContact O-CA 3.49Å; R95-T105 HydrophobicContact CB-CG2 4.49Å
106	T	86.8	Confident	82.3	Confident	14 Å²	14	52.4 Å²	52.4	9%	0.086	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.3	168.7	177.8	0	0	0	0	108.9	T93 L94 Y96 I137 H145 V147	T93-T106 CarbonylContact C-O 3.57Å; T93-T106 WeakPolarHBondContact CA-O 3.31Å; L94-T106 HydrophobicContact CB-CG2 3.75Å; L94-T106 HydrophobicContact CD2-CG2 4.25Å; L94-T106 HydrophobicContact CG-CG2 4.43Å; L94-T106 PolarHBondContact N-O 2.62Å; L94-T106 PolarHBondContact O-N 2.93Å; Y96-T106 HydrophobicContact CE1-CG2 4.38Å; T106-I137 HydrophobicContact CG2-CD1 4.21Å; T106-H145 PolarHBondContact OG1-CD2 2.91Å; T106-H145 PolarHBondContact OG1-CE1 2.82Å; T106-H145 PolarHBondContact OG1-NE2 3.16Å; T106-V147 HydrophobicContact CG2-CG2 3.82Å
107	S	87.9	Confident	82.1	Confident	46 Å²	46	60.2 Å²	60.2	32%	0.322	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144	172.2	-56.8	0	0	0	0	110.2	M92 T93	M92-S107 CarbonylContact O-C 3.59Å; M92-S107 WeakPolarHBondContact O-CA 3.45Å; T93-S107 WeakPolarHBondContact CG2-OG 3.31Å; T93-S107 PolarHBondContact OG1-OG 3.24Å
108	F	86.7	Confident	82	Confident	9 Å²	9	63.5 Å²	63.5	4%	0.039	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.7	-179.9	45.2	-88.3	0	0	0	109.5	M92 I137 V139 A144 H145	M92-F108 HydrophobicContact CB-CD2 4Å; M92-F108 HydrophobicContact CB-CE2 3.52Å; M92-F108 HydrophobicContact CB-CZ 3.9Å; M92-F108 HydrophobicContact CG-CE2 3.82Å; M92-F108 HydrophobicContact CG-CZ 3.81Å; M92-F108 PolarHBondContact N-O 3.32Å; M92-F108 PolarHBondContact O-N 3.21Å; M92-F108 HydrophobicContact SD-CE2 3.69Å; M92-F108 HydrophobicContact SD-CZ 3.84Å; F108-I137 HydrophobicContact CD1-CD1 4.45Å; F108-I137 HydrophobicContact CE1-CD1 3.75Å; F108-I137 HydrophobicContact CE1-CG2 4.03Å; F108-I137 HydrophobicContact CE2-CG2 4.19Å; F108-I137 HydrophobicContact CZ-CD1 4.38Å; F108-I137 HydrophobicContact CZ-CG2 3.62Å; F108-V139 HydrophobicContact CD2-CG2 4.06Å; F108-V139 HydrophobicContact CE2-CG2 3.51Å; F108-V139 HydrophobicContact CZ-CG2 4.48Å; F108-A144 HydrophobicContact CD2-CB 3.76Å; F108-A144 HydrophobicContact CE2-CB 4.25Å; F108-A144 HydrophobicContact CG-CB 4.27Å; F108-H145 HydrophobicContact CB-CB 4.19Å; F108-H145 HydrophobicContact CD1-CB 3.91Å; F108-H145 HydrophobicContact CG-CB 4.19Å
109	N	81.6	Confident	82.3	Confident	121 Å²	121	61.1 Å²	61.1	65%	0.647	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	140.2	179.8	-64.9	-27.2	0	0	0	109.5	S90	S90-N109 WeakPolarHBondContact O-CA 3.36Å
110	H	74.4	Confident	83	Confident	41 Å²	41	59.1 Å²	59.1	19%	0.19	32%	0.316	C	S	.	.			trans	-150	146.2	174.3	-171.1	83.3	0	0	0	108.1	S90 L113 V139 D140	S90-H110 VanDerWaalsContact CB-O 3.31Å; S90-H110 WeakPolarHBondContact CB-O 3.05Å; S90-H110 PolarHBondContact O-N 2.99Å; H110-L113 HydrophobicContact CB-CD2 4.21Å; H110-V139 HydrophobicContact CB-CG1 4.24Å; H110-V139 VanDerWaalsContact CD2-CG1 3.43Å; H110-V139 WeakPolarHBondContact CD2-CG1 3.16Å; H110-V139 PolarHBondContact CE1-O 3.33Å; H110-V139 WeakPolarHBondContact NE2-CG1 3.28Å; H110-D140 IonicContact CD2-OD2 2.68Å; H110-D140 IonicContact CE1-OD2 3.97Å; H110-D140 IonicContact NE2-OD2 3.29Å; H110-D140 PolarHBondContact NE2-OD2 2.73Å
111	G	71.2	Confident	83.7	Confident	51 Å²	51	55 Å²	55	53%	0.526	29%	0.294	S	S	.	.	S	Bend	trans	-49.8	164.8	-173.7	0	0	0	0	0	114.6	L113	G111-L113 WeakPolarHBondContact O-CG 3.26Å; G111-L113 PolarHBondContact O-N 3.27Å
112	S	79.2	Confident	84.4	Confident	60 Å²	60	53.5 Å²	53.5	42%	0.42	28%	0.278	S	S	.	.			trans	-31.5	97.9	-167.8	-162.2	0	0	0	0	115.8	A114 H119	S112-A114 VanDerWaalsContact C-N 3.31Å; S112-A114 PolarHBondContact O-N 2.87Å; S112-H119 PolarHBondContact O-NE2 3.05Å
113	L	82.6	Confident	84.8	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.5	-174.5	-65.3	174.3	0	0	0	114.5	F58 V85 M92 H110 G111	F58-L113 HydrophobicContact CZ-CD2 4.4Å; V85-L113 HydrophobicContact CG1-CB 3.87Å; V85-L113 HydrophobicContact CG1-CD1 3.92Å; M92-L113 HydrophobicContact CB-CD1 4.2Å; H110-L113 HydrophobicContact CB-CD2 4.21Å; G111-L113 WeakPolarHBondContact O-CG 3.26Å; G111-L113 PolarHBondContact O-N 3.27Å
114	A	82	Confident	85	Confident	9 Å²	9	41.8 Å²	41.8	7%	0.074	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	48.1	174.7	0	0	0	0	0	111.2	L60 A87 S112 G116	L60-A114 HydrophobicContact CB-CB 4.07Å; L60-A114 CarbonylContact O-C 3.49Å; L60-A114 VanDerWaalsContact O-CA 3.26Å; L60-A114 WeakPolarHBondContact O-CA 3.46Å; A87-A114 HydrophobicContact CB-CB 3.39Å; S112-A114 VanDerWaalsContact C-N 3.31Å; S112-A114 PolarHBondContact O-N 2.87Å; A114-G116 VanDerWaalsContact C-N 3.31Å
115	D	82.5	Confident	85.2	Confident	66 Å²	66	41.4 Å²	41.4	35%	0.353	23%	0.227	S	C	.	.	S	Bend	trans	-89.7	0.2	175	69.8	-6.1	0	0	0	112.5	R117 H119	D115-R117 VanDerWaalsContact C-N 3.3Å; D115-R117 WeakPolarHBondContact OD1-CA 3.4Å; D115-R117 VanDerWaalsContact OD1-CB 3.24Å; D115-R117 WeakPolarHBondContact OD1-CB 3.32Å; D115-R117 PolarHBondContact OD1-N 2.79Å; D115-R117 WeakPolarHBondContact OD2-CD 3.49Å; D115-R117 WeakPolarHBondContact OD2-CG 3.28Å; D115-R117 IonicContact OD2-NE 2.81Å; D115-H119 IonicContact OD1-NE2 3.65Å; D115-H119 PolarHBondContact OD1-NE2 3.36Å
116	G	80.7	Confident	85	Confident	7 Å²	7	38.4 Å²	38.4	7%	0.072	21%	0.21	C	C	.	.	S	Bend	trans	74.5	14	-176.1	0	0	0	0	0	114.6	R59 L60 A114	R59-G116 PolarHBondContact NE-O 2.68Å; R59-G116 PolarHBondContact NH2-O 3.28Å; L60-G116 WeakPolarHBondContact O-CA 3.28Å; L60-G116 PolarHBondContact O-N 2.99Å; A114-G116 VanDerWaalsContact C-N 3.31Å
117	R	86.1	Confident	84.5	Confident	181 Å²	181	38.4 Å²	38.4	68%	0.683	21%	0.212	S	C	*	.	S	Bend	trans	-90.2	169.9	166.7	-58.5	-175	-176.1	-180	0	110.5	R59 D115	R59-R117 WeakPolarHBondContact CG-O 3.42Å; D115-R117 VanDerWaalsContact C-N 3.3Å; D115-R117 WeakPolarHBondContact OD1-CA 3.4Å; D115-R117 VanDerWaalsContact OD1-CB 3.24Å; D115-R117 WeakPolarHBondContact OD1-CB 3.32Å; D115-R117 PolarHBondContact OD1-N 2.79Å; D115-R117 WeakPolarHBondContact OD2-CD 3.49Å; D115-R117 WeakPolarHBondContact OD2-CG 3.28Å; D115-R117 IonicContact OD2-NE 2.81Å
118	E	86.8	Confident	83.8	Confident	104 Å²	104	36.5 Å²	36.5	49%	0.486	20%	0.199	S	C	.	.			trans	-89.3	128.6	175.3	-173.7	162.1	-140.7	0	0	108.6	F58 T178	F58-E118 WeakPolarHBondContact O-CA 3.47Å; E118-T178 WeakPolarHBondContact OE1-CB 3.22Å; E118-T178 PolarHBondContact OE1-OG1 3.38Å
119	H	89.6	Confident	82.9	Confident	12 Å²	12	40.5 Å²	40.5	6%	0.056	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.7	176.9	-67.1	-79.7	0	0	0	110.2	S57 F58 S112 D115 D140	S57-H119 CarbonylContact C-O 3.56Å; S57-H119 VanDerWaalsContact CA-O 3.28Å; S57-H119 WeakPolarHBondContact CA-O 3.34Å; F58-H119 HydrophobicContact CD2-CB 4.48Å; F58-H119 HydrophobicContact CE1-CB 4.06Å; F58-H119 HydrophobicContact CE2-CB 4.02Å; F58-H119 HydrophobicContact CZ-CB 3.8Å; F58-H119 PolarHBondContact N-O 2.72Å; F58-H119 PolarHBondContact O-N 3.49Å; S112-H119 PolarHBondContact O-NE2 3.05Å; D115-H119 IonicContact OD1-NE2 3.65Å; D115-H119 PolarHBondContact OD1-NE2 3.36Å; H119-D140 VanDerWaalsContact CA-OD1 3.28Å; H119-D140 WeakPolarHBondContact CA-OD1 2.99Å; H119-D140 IonicContact CE1-OD2 3.39Å; H119-D140 IonicContact CG-OD2 3.04Å; H119-D140 IonicContact ND1-OD1 2.8Å; H119-D140 IonicContact ND1-OD2 3.07Å; H119-D140 PolarHBondContact ND1-OD2 3.25Å
120	H	90.1	Very high	81.8	Confident	40 Å²	40	44.9 Å²	44.9	19%	0.185	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.2	-177.6	-61.6	-63.3	0	0	0	110.6	S57 V139 D140	S57-H120 WeakPolarHBondContact CB-ND1 3.49Å; S57-H120 PolarHBondContact OG-CE1 2.84Å; S57-H120 PolarHBondContact OG-ND1 3.22Å; H120-V139 CarbonylContact O-C 3.57Å; H120-V139 WeakPolarHBondContact O-CA 3.06Å; H120-D140 PolarHBondContact N-OD1 2.82Å; H120-D140 PolarHBondContact O-N 2.6Å
121	V	91.1	Very high	81.4	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	131	174.6	178.8	0	0	0	0	109.1	L55 S56 F58 L83 M92 M123 I137 Y138 V139 Q195	L55-V121 CarbonylContact C-O 3.57Å; L55-V121 WeakPolarHBondContact CA-O 3.39Å; S56-V121 PolarHBondContact N-O 3.16Å; S56-V121 PolarHBondContact O-N 2.8Å; F58-V121 HydrophobicContact CE1-CG2 3.79Å; L83-V121 HydrophobicContact CD2-CG1 4.16Å; M92-V121 HydrophobicContact CE-CG2 3.76Å; M92-V121 HydrophobicContact SD-CG1 4.49Å; M92-V121 HydrophobicContact SD-CG2 3.77Å; V121-M123 HydrophobicContact CG1-CE 4.46Å; V121-I137 HydrophobicContact CG1-CG2 4.21Å; V121-Y138 CarbonylContact C-O 3.59Å; V121-Y138 VanDerWaalsContact CA-O 3.28Å; V121-Y138 WeakPolarHBondContact CA-O 3.39Å; V121-V139 HydrophobicContact CG2-CG1 4.19Å; V121-V139 HydrophobicContact CG2-CG2 4.23Å; V121-Q195 PolarHBondContact O-NE2 3.04Å
122	M	90.6	Very high	81.6	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.02	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.4	177.3	168.9	172	75.3	0	0	109.4	F53 L55 I137 Y138 I188 V191	F53-M122 HydrophobicContact CD1-CG 4.47Å; F53-M122 HydrophobicContact CD1-SD 4.21Å; L55-M122 HydrophobicContact CD2-CB 3.62Å; L55-M122 HydrophobicContact CD2-CG 3.49Å; L55-M122 VanDerWaalsContact CD2-CG 3.49Å; L55-M122 HydrophobicContact CD2-SD 3.87Å; M122-I137 WeakPolarHBondContact O-CA 3.29Å; M122-Y138 HydrophobicContact CE-CD1 4.34Å; M122-Y138 HydrophobicContact CE-CD2 3.45Å; M122-Y138 VanDerWaalsContact CE-CD2 3.45Å; M122-Y138 HydrophobicContact CE-CE2 3.9Å; M122-Y138 HydrophobicContact CE-CG 3.71Å; M122-Y138 HydrophobicContact CG-CD2 4.28Å; M122-Y138 PolarHBondContact N-O 3.41Å; M122-Y138 PolarHBondContact O-N 3.18Å; M122-I188 HydrophobicContact CE-CG1 4.31Å; M122-V191 HydrophobicContact SD-CG1 3.87Å
123	M	91.4	Very high	81.6	Confident	1 Å²	1	47 Å²	47	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.4	171.6	-61.1	177.8	-178.9	0	0	109.1	F53 L54 F69 L83 L94 V121 L135 N136 I137	F53-M123 CarbonylContact C-O 3.5Å; F53-M123 VanDerWaalsContact CA-O 3.28Å; F53-M123 WeakPolarHBondContact CA-O 3.22Å; L54-M123 HydrophobicContact CB-CB 4.3Å; L54-M123 HydrophobicContact CD2-SD 4.42Å; L54-M123 PolarHBondContact N-O 3.44Å; L54-M123 PolarHBondContact O-N 2.87Å; F69-M123 HydrophobicContact CZ-CE 4.26Å; F69-M123 HydrophobicContact CZ-SD 4.44Å; L83-M123 HydrophobicContact CB-CE 4.18Å; L83-M123 HydrophobicContact CD1-CE 3.64Å; L83-M123 HydrophobicContact CD2-CE 3.55Å; L83-M123 HydrophobicContact CG-CE 3.98Å; L94-M123 HydrophobicContact CD1-CE 3.51Å; L94-M123 HydrophobicContact CD1-SD 4.16Å; L94-M123 HydrophobicContact CD2-CE 4.19Å; L94-M123 HydrophobicContact CD2-SD 4.38Å; L94-M123 HydrophobicContact CG-CE 4.36Å; V121-M123 HydrophobicContact CG1-CE 4.46Å; M123-L135 HydrophobicContact CB-CD1 4.15Å; M123-N136 CarbonylContact C-O 3.54Å; M123-N136 WeakPolarHBondContact CA-O 3.24Å; M123-I137 HydrophobicContact CG-CG1 4.43Å; M123-I137 HydrophobicContact CG-CG2 4.39Å
124	H	90.9	Very high	81.7	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.065	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	107.3	179.7	173.7	-148.9	0	0	0	110	F53 L135 N136 Y138	F53-H124 HydrophobicContact CD1-CB 3.83Å; F53-H124 AromaticContact CD1-CD2 3.65Å; F53-H124 AromaticContact CD1-CG 3.88Å; F53-H124 HydrophobicContact CE1-CB 3.83Å; F53-H124 AromaticContact CE1-CD2 3.09Å; F53-H124 WeakPolarHBondContact CE1-CD2 3.48Å; F53-H124 AromaticContact CE1-CG 3.4Å; F53-H124 AromaticContact CE1-NE2 3.63Å; F53-H124 AromaticContact CZ-CD2 3.31Å; F53-H124 WeakPolarHBondContact CZ-CD2 3.24Å; F53-H124 AromaticContact CZ-NE2 3.44Å; F53-H124 WeakPolarHBondContact CZ-NE2 3.47Å; H124-L135 CarbonylContact O-C 3.44Å; H124-L135 WeakPolarHBondContact O-CA 3.48Å; H124-N136 HydrophobicContact CB-CB 4.37Å; H124-N136 PolarHBondContact N-O 2.81Å; H124-N136 PolarHBondContact O-N 2.88Å; H124-Y138 HydrophobicContact CB-CE2 4.13Å
125	A	87.8	Confident	82.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.1	172.6	0	0	0	0	0	109.7	E51 A52 R134 L135 L150 F154	E51-A125 WeakPolarHBondContact CA-O 3.47Å; A52-A125 PolarHBondContact N-O 3Å; A52-A125 PolarHBondContact O-N 3.15Å; A125-R134 WeakPolarHBondContact CA-O 3.37Å; A125-L135 HydrophobicContact CB-CD1 3.82Å; A125-L150 HydrophobicContact CB-CD1 4.22Å; A125-F154 HydrophobicContact CB-CB 4.49Å; A125-F154 HydrophobicContact CB-CD1 4.23Å; A125-F154 HydrophobicContact CB-CD2 4.32Å; A125-F154 HydrophobicContact CB-CG 4.1Å
126	S	85.9	Confident	82.4	Confident	25 Å²	25	50.5 Å²	50.5	18%	0.175	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	163.4	-178.9	64.3	0	0	0	0	111.9	P133 R134	S126-P133 WeakPolarHBondContact O-CA 3.43Å; S126-R134 PolarHBondContact N-O 2.87Å; S126-R134 PolarHBondContact O-N 2.88Å
127	G	75.3	Confident	82.9	Confident	13 Å²	13	50.1 Å²	50.1	13%	0.134	25%	0.247	C	C	.	.			trans	73.4	26.9	178.2	0	0	0	0	0	114.5	D50 Q129	D50-G127 PolarHBondContact O-N 2.76Å; G127-Q129 VanDerWaalsContact C-N 3.32Å; G127-Q129 PolarHBondContact O-N 2.96Å
128	L	73.1	Confident	83	Confident	7 Å²	7	42.6 Å²	42.6	4%	0.037	22%	0.219	C	C	.	.	S	Bend	trans	-68.4	-28.5	-178.1	-61.3	175	0	0	0	113.2	L44 K45 R49 D50 L150	L44-L128 HydrophobicContact CB-CD1 4.08Å; L44-L128 HydrophobicContact CD1-CD1 4.37Å; K45-L128 VanDerWaalsContact CD-O 3.3Å; K45-L128 WeakPolarHBondContact CD-O 3.33Å; K45-L128 WeakPolarHBondContact CG-O 3.34Å; R49-L128 WeakPolarHBondContact O-CB 3Å; D50-L128 WeakPolarHBondContact O-CG 3.41Å; D50-L128 PolarHBondContact O-N 2.85Å; D50-L128 PolarHBondContact OD1-N 2.84Å; L128-L150 HydrophobicContact CD2-CD1 3.39Å; L128-L150 HydrophobicContact CD2-CD2 3.26Å; L128-L150 HydrophobicContact CD2-CG 3.95Å
129	Q	67.5	Low	83.1	Confident	93 Å²	93	37.6 Å²	37.6	44%	0.435	20%	0.196	S	C	.	.	S	Bend	trans	-113.4	-38.3	178.2	-56.6	-146.7	-38.1	0	0	113.7	K45 G48 R49 D50 G127	K45-Q129 PolarHBondContact O-NE2 3.24Å; K45-Q129 VanDerWaalsContact O-NE2 3.1Å; G48-Q129 VanDerWaalsContact C-NE2 3.35Å; R49-Q129 WeakPolarHBondContact O-CG 3.22Å; D50-Q129 HydrophobicContact CB-CB 4.36Å; D50-Q129 HydrophobicContact CB-CG 4.25Å; D50-Q129 WeakPolarHBondContact OD1-CA 3.19Å; D50-Q129 VanDerWaalsContact OD1-CB 3.31Å; D50-Q129 WeakPolarHBondContact OD1-CB 3.41Å; D50-Q129 PolarHBondContact OD1-N 2.96Å; G127-Q129 VanDerWaalsContact C-N 3.32Å; G127-Q129 PolarHBondContact O-N 2.96Å
130	R	60.1	Low	83	Confident	212 Å²	212	39.3 Å²	39.3	80%	0.8	21%	0.205	S	C	*	.	S	Bend	trans	-131.9	115.5	-177.8	-66.8	-176.8	-177.5	-174.3	1.9	111.2	D50	D50-R130 PolarHBondContact OD1-N 3.4Å
131	G	65.2	Low	82.6	Confident	58 Å²	58	39.7 Å²	39.7	60%	0.598	21%	0.212	S	C	*	.	S	Bend	trans	107.1	173.6	179.6	0	0	0	0	0	113.4
132	P	74.2	Confident	82.2	Confident	93 Å²	93	48.9 Å²	48.9	60%	0.604	25%	0.246	S	C	*	.	S	Bend	trans	-67.6	130.2	170.6	28.3	-31.7	0	0	0	109
133	P	79.8	Confident	82	Confident	46 Å²	46	53.1 Å²	53.1	30%	0.299	27%	0.269	S	S	.	.			trans	-70.6	138.3	-177.9	31.1	-35.4	0	0	0	110.5	S126 L150	S126-P133 WeakPolarHBondContact O-CA 3.43Å; P133-L150 HydrophobicContact CB-CB 3.85Å; P133-L150 HydrophobicContact CB-CD1 4.31Å; P133-L150 HydrophobicContact CB-CD2 4.45Å; P133-L150 HydrophobicContact CB-CG 4.42Å; P133-L150 HydrophobicContact CG-CB 4.04Å
134	R	86.1	Confident	81.7	Confident	120 Å²	120	54.6 Å²	54.6	45%	0.453	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.8	178.8	-66.2	-177	177.8	172.1	-1.3	110.5	A125 S126 V147 N148	A125-R134 WeakPolarHBondContact CA-O 3.37Å; S126-R134 PolarHBondContact N-O 2.87Å; S126-R134 PolarHBondContact O-N 2.88Å; R134-V147 CarbonylContact C-O 3.6Å; R134-V147 WeakPolarHBondContact CA-O 3.5Å; R134-N148 PolarHBondContact NE-OD1 3.18Å
135	L	88.9	Confident	81.6	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	104.8	171.1	-176.4	82.9	0	0	0	109.4	L94 M123 H124 A125 I137 V147 P151 F154	L94-L135 HydrophobicContact CD2-CD2 3.7Å; M123-L135 HydrophobicContact CB-CD1 4.15Å; H124-L135 CarbonylContact O-C 3.44Å; H124-L135 WeakPolarHBondContact O-CA 3.48Å; A125-L135 HydrophobicContact CB-CD1 3.82Å; L135-I137 HydrophobicContact CD2-CD1 4.46Å; L135-I137 HydrophobicContact CD2-CG1 4.35Å; L135-I137 HydrophobicContact CG-CG1 4.44Å; L135-V147 HydrophobicContact CB-CB 4.15Å; L135-V147 PolarHBondContact N-O 3.04Å; L135-V147 PolarHBondContact O-N 2.63Å; L135-P151 HydrophobicContact CD2-CG 3.83Å; L135-F154 HydrophobicContact CD1-CD2 4.38Å; L135-F154 HydrophobicContact CD1-CE2 3.95Å
136	N	90.3	Very high	81.6	Confident	29 Å²	29	59.5 Å²	59.5	16%	0.155	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.5	174.6	-65.4	4	0	0	0	109	M123 H124 Y138 L143 T146	M123-N136 CarbonylContact C-O 3.54Å; M123-N136 WeakPolarHBondContact CA-O 3.24Å; H124-N136 HydrophobicContact CB-CB 4.37Å; H124-N136 PolarHBondContact N-O 2.81Å; H124-N136 PolarHBondContact O-N 2.88Å; N136-Y138 HydrophobicContact CB-CD2 4.46Å; N136-Y138 HydrophobicContact CB-CE2 3.62Å; N136-L143 HydrophobicContact CB-CD1 3.81Å; N136-T146 VanDerWaalsContact OD1-CG2 3.23Å; N136-T146 WeakPolarHBondContact OD1-CG2 3.45Å; N136-T146 PolarHBondContact OD1-OG1 2.83Å
137	I	90.5	Very high	81.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.7	-178.9	-51.7	172.7	0	0	0	107.9	L94 T106 F108 V121 M122 M123 L135 A144 H145 V147	L94-I137 HydrophobicContact CB-CD1 4.44Å; L94-I137 HydrophobicContact CD2-CD1 3.55Å; T106-I137 HydrophobicContact CG2-CD1 4.21Å; F108-I137 HydrophobicContact CD1-CD1 4.45Å; F108-I137 HydrophobicContact CE1-CD1 3.75Å; F108-I137 HydrophobicContact CE1-CG2 4.03Å; F108-I137 HydrophobicContact CE2-CG2 4.19Å; F108-I137 HydrophobicContact CZ-CD1 4.38Å; F108-I137 HydrophobicContact CZ-CG2 3.62Å; V121-I137 HydrophobicContact CG1-CG2 4.21Å; M122-I137 WeakPolarHBondContact O-CA 3.29Å; M123-I137 HydrophobicContact CG-CG1 4.43Å; M123-I137 HydrophobicContact CG-CG2 4.39Å; L135-I137 HydrophobicContact CD2-CD1 4.46Å; L135-I137 HydrophobicContact CD2-CG1 4.35Å; L135-I137 HydrophobicContact CG-CG1 4.44Å; I137-A144 PolarHBondContact O-N 3.25Å; I137-H145 PolarHBondContact N-O 2.88Å; I137-H145 PolarHBondContact O-N 3.1Å; I137-V147 HydrophobicContact CD1-CG2 4.29Å
138	Y	88.8	Confident	82	Confident	22 Å²	22	63.7 Å²	63.7	9%	0.086	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.8	176.6	-55.9	-98.8	0	0	0	109.5	V121 M122 H124 N136 R142 L143 I188	V121-Y138 CarbonylContact C-O 3.59Å; V121-Y138 VanDerWaalsContact CA-O 3.28Å; V121-Y138 WeakPolarHBondContact CA-O 3.39Å; M122-Y138 HydrophobicContact CE-CD1 4.34Å; M122-Y138 HydrophobicContact CE-CD2 3.45Å; M122-Y138 VanDerWaalsContact CE-CD2 3.45Å; M122-Y138 HydrophobicContact CE-CE2 3.9Å; M122-Y138 HydrophobicContact CE-CG 3.71Å; M122-Y138 HydrophobicContact CG-CD2 4.28Å; M122-Y138 PolarHBondContact N-O 3.41Å; M122-Y138 PolarHBondContact O-N 3.18Å; H124-Y138 HydrophobicContact CB-CE2 4.13Å; N136-Y138 HydrophobicContact CB-CD2 4.46Å; N136-Y138 HydrophobicContact CB-CE2 3.62Å; Y138-R142 CarbonylContact C-O 3.53Å; Y138-R142 WeakPolarHBondContact CA-O 3.39Å; Y138-L143 HydrophobicContact CD1-CB 3.93Å; Y138-L143 HydrophobicContact CD1-CD1 4.14Å; Y138-L143 HydrophobicContact CE1-CB 3.77Å; Y138-L143 HydrophobicContact CE1-CD1 3.76Å; Y138-L143 HydrophobicContact CE1-CG 4.33Å; Y138-L143 HydrophobicContact CE2-CD1 4.22Å; Y138-I188 HydrophobicContact CE2-CD1 4.12Å; Y138-I188 WeakPolarHBondContact OH-CD1 3.4Å
139	V	88.9	Confident	82	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.3	173.5	-172	0	0	0	0	107.5	F108 H110 H120 V121 C141 R142 A144	F108-V139 HydrophobicContact CD2-CG2 4.06Å; F108-V139 HydrophobicContact CE2-CG2 3.51Å; F108-V139 HydrophobicContact CZ-CG2 4.48Å; H110-V139 HydrophobicContact CB-CG1 4.24Å; H110-V139 VanDerWaalsContact CD2-CG1 3.43Å; H110-V139 WeakPolarHBondContact CD2-CG1 3.16Å; H110-V139 PolarHBondContact CE1-O 3.33Å; H110-V139 WeakPolarHBondContact NE2-CG1 3.28Å; H120-V139 CarbonylContact O-C 3.57Å; H120-V139 WeakPolarHBondContact O-CA 3.06Å; V121-V139 HydrophobicContact CG2-CG1 4.19Å; V121-V139 HydrophobicContact CG2-CG2 4.23Å; V139-C141 PolarHBondContact O-N 2.99Å; V139-R142 PolarHBondContact N-O 2.77Å; V139-R142 PolarHBondContact O-N 3.17Å; V139-A144 HydrophobicContact CB-CB 4.22Å; V139-A144 HydrophobicContact CG2-CB 3.63Å
140	D	87.2	Confident	82.5	Confident	47 Å²	47	61.6 Å²	61.6	25%	0.251	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	49.2	-175.3	-58.3	-30.9	0	0	0	112.4	H110 H119 H120 R142	H110-D140 IonicContact CD2-OD2 2.68Å; H110-D140 IonicContact CE1-OD2 3.97Å; H110-D140 IonicContact NE2-OD2 3.29Å; H110-D140 PolarHBondContact NE2-OD2 2.73Å; H119-D140 VanDerWaalsContact CA-OD1 3.28Å; H119-D140 WeakPolarHBondContact CA-OD1 2.99Å; H119-D140 IonicContact CE1-OD2 3.39Å; H119-D140 IonicContact CG-OD2 3.04Å; H119-D140 IonicContact ND1-OD1 2.8Å; H119-D140 IonicContact ND1-OD2 3.07Å; H119-D140 PolarHBondContact ND1-OD2 3.25Å; H120-D140 PolarHBondContact N-OD1 2.82Å; H120-D140 PolarHBondContact O-N 2.6Å; D140-R142 PolarHBondContact O-N 2.84Å
141	C	81.8	Confident	83.6	Confident	49 Å²	49	51.5 Å²	51.5	33%	0.331	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	9.2	179.3	-38.5	0	0	0	0	116	V139 C197	V139-C141 PolarHBondContact O-N 2.99Å; C141-C197 HydrophobicContact CB-CB 3.65Å; C141-C197 WeakPolarHBondContact CB-SG 3.07Å; C141-C197 VanDerWaalsContact SG-CA 3.5Å; C141-C197 WeakPolarHBondContact SG-CB 3.33Å; C141-C197 CovalentContact SG-SG 2.02Å; C141-C197 PolarHBondContact SG-SG 3.24Å
142	R	82.1	Confident	84.3	Confident	193 Å²	193	48.9 Å²	48.9	73%	0.728	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.7	174.6	-65	-175.1	177.4	-168.8	-3.2	110.7	Y138 V139 D140 A144	Y138-R142 CarbonylContact C-O 3.53Å; Y138-R142 WeakPolarHBondContact CA-O 3.39Å; V139-R142 PolarHBondContact N-O 2.77Å; V139-R142 PolarHBondContact O-N 3.17Å; D140-R142 PolarHBondContact O-N 2.84Å; R142-A144 PolarHBondContact O-N 3.41Å; R142-A144 VanDerWaalsContact O-N 3.09Å
143	L	86.2	Confident	84.6	Confident	94 Å²	94	44.4 Å²	44.4	49%	0.492	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	110.4	174.7	-178.9	66.3	0	0	0	108.4	N136 Y138	N136-L143 HydrophobicContact CB-CD1 3.81Å; Y138-L143 HydrophobicContact CD1-CB 3.93Å; Y138-L143 HydrophobicContact CD1-CD1 4.14Å; Y138-L143 HydrophobicContact CE1-CB 3.77Å; Y138-L143 HydrophobicContact CE1-CD1 3.76Å; Y138-L143 HydrophobicContact CE1-CG 4.33Å; Y138-L143 HydrophobicContact CE2-CD1 4.22Å
144	A	85.3	Confident	84.6	Confident	31 Å²	31	42.3 Å²	42.3	26%	0.256	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-33.7	-177.9	0	0	0	0	0	111.9	F108 I137 V139 R142	F108-A144 HydrophobicContact CD2-CB 3.76Å; F108-A144 HydrophobicContact CE2-CB 4.25Å; F108-A144 HydrophobicContact CG-CB 4.27Å; I137-A144 PolarHBondContact O-N 3.25Å; V139-A144 HydrophobicContact CB-CB 4.22Å; V139-A144 HydrophobicContact CG2-CB 3.63Å; R142-A144 PolarHBondContact O-N 3.41Å; R142-A144 VanDerWaalsContact O-N 3.09Å
145	H	88.4	Confident	83.8	Confident	70 Å²	70	37.1 Å²	37.1	32%	0.324	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	154.7	179.4	-164	69.9	0	0	0	112.2	T106 F108 I137	T106-H145 PolarHBondContact OG1-CD2 2.91Å; T106-H145 PolarHBondContact OG1-CE1 2.82Å; T106-H145 PolarHBondContact OG1-NE2 3.16Å; F108-H145 HydrophobicContact CB-CB 4.19Å; F108-H145 HydrophobicContact CD1-CB 3.91Å; F108-H145 HydrophobicContact CG-CB 4.19Å; I137-H145 PolarHBondContact N-O 2.88Å; I137-H145 PolarHBondContact O-N 3.1Å
146	T	88.9	Confident	83	Confident	48 Å²	48	39.9 Å²	39.9	29%	0.294	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.1	172.4	-63.4	0	0	0	0	109.9	N136	N136-T146 VanDerWaalsContact OD1-CG2 3.23Å; N136-T146 WeakPolarHBondContact OD1-CG2 3.45Å; N136-T146 PolarHBondContact OD1-OG1 2.83Å
147	V	86.4	Confident	82.5	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.2	175.4	-177.4	0	0	0	0	108.8	Y96 T106 R134 L135 I137 D149	Y96-V147 HydrophobicContact CE1-CG1 4.23Å; Y96-V147 HydrophobicContact CE2-CG1 4.34Å; Y96-V147 WeakPolarHBondContact OH-CG1 3.43Å; T106-V147 HydrophobicContact CG2-CG2 3.82Å; R134-V147 CarbonylContact C-O 3.6Å; R134-V147 WeakPolarHBondContact CA-O 3.5Å; L135-V147 HydrophobicContact CB-CB 4.15Å; L135-V147 PolarHBondContact N-O 3.04Å; L135-V147 PolarHBondContact O-N 2.63Å; I137-V147 HydrophobicContact CD1-CG2 4.29Å; V147-D149 HydrophobicContact CG1-CB 4.17Å; V147-D149 PolarHBondContact O-N 3Å
148	N	82.4	Confident	81.7	Confident	119 Å²	119	41 Å²	41	64%	0.636	22%	0.22	S	C	*	.	S	Bend	trans	-80.5	31.6	178.4	-69	-43.2	0	0	0	113.4	R134	R134-N148 PolarHBondContact NE-OD1 3.18Å
149	D	73.4	Confident	81	Confident	40 Å²	40	44.8 Å²	44.8	21%	0.214	25%	0.248	C	C	.	.	S	Bend	trans	-148.5	154.5	-178.6	-168.6	5.2	0	0	0	109.5	K98 V147 P151	K98-D149 WeakPolarHBondContact CD-OD2 3.31Å; K98-D149 WeakPolarHBondContact CE-OD2 3.44Å; K98-D149 WeakPolarHBondContact CG-OD2 3.33Å; K98-D149 IonicContact NZ-OD2 3.5Å; V147-D149 HydrophobicContact CG1-CB 4.17Å; V147-D149 PolarHBondContact O-N 3Å; D149-P151 WeakPolarHBondContact O-CD 3.09Å
150	L	77.3	Confident	80.1	Confident	15 Å²	15	45.9 Å²	45.9	8%	0.079	26%	0.259	C	S	.	.			trans	-100.8	118	-178.1	-166.9	68.1	0	0	0	111.7	A125 L128 P133 A152 F154	A125-L150 HydrophobicContact CB-CD1 4.22Å; L128-L150 HydrophobicContact CD2-CD1 3.39Å; L128-L150 HydrophobicContact CD2-CD2 3.26Å; L128-L150 HydrophobicContact CD2-CG 3.95Å; P133-L150 HydrophobicContact CB-CB 3.85Å; P133-L150 HydrophobicContact CB-CD1 4.31Å; P133-L150 HydrophobicContact CB-CD2 4.45Å; P133-L150 HydrophobicContact CB-CG 4.42Å; P133-L150 HydrophobicContact CG-CB 4.04Å; L150-A152 PolarHBondContact O-N 2.83Å; L150-F154 HydrophobicContact CD1-CB 3.91Å; L150-F154 HydrophobicContact CG-CB 4.22Å
151	P	84.1	Confident	79.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-54.4	136.5	168.9	-25.7	33.5	0	0	0	112	L81 Y96 L135 D149 A153 F154 G155	L81-P151 HydrophobicContact CD1-CB 4.22Å; L81-P151 HydrophobicContact CD1-CG 4.36Å; Y96-P151 HydrophobicContact CD2-CB 4.02Å; Y96-P151 HydrophobicContact CD2-CG 3.86Å; Y96-P151 HydrophobicContact CE2-CG 4.49Å; Y96-P151 HydrophobicContact CG-CB 4.25Å; Y96-P151 HydrophobicContact CG-CG 4.02Å; L135-P151 HydrophobicContact CD2-CG 3.83Å; D149-P151 WeakPolarHBondContact O-CD 3.09Å; P151-A153 HydrophobicContact CB-CB 4.39Å; P151-A153 PolarHBondContact O-N 2.87Å; P151-F154 HydrophobicContact CB-CD2 3.95Å; P151-F154 HydrophobicContact CB-CE2 4.42Å; P151-F154 HydrophobicContact CG-CD2 4.08Å; P151-F154 HydrophobicContact CG-CE2 4.35Å; P151-F154 PolarHBondContact O-N 2.02Å; P151-G155 PolarHBondContact O-N 3.16Å
152	A	80.3	Confident	78.6	Confident	3 Å²	3	52.9 Å²	52.9	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-52.1	-28.5	174.3	0	0	0	0	0	112	Q97 L150 F154 G155 S156 L157	Q97-A152 HydrophobicContact CB-CB 4.26Å; Q97-A152 VanDerWaalsContact O-CB 3.24Å; Q97-A152 WeakPolarHBondContact O-CB 3.46Å; Q97-A152 PolarHBondContact O-N 2.81Å; L150-A152 PolarHBondContact O-N 2.83Å; A152-F154 PolarHBondContact O-N 3.23Å; A152-G155 PolarHBondContact O-N 3.43Å; A152-S156 WeakPolarHBondContact CB-OG 3.37Å; A152-S156 PolarHBondContact O-N 2.9Å; A152-L157 WeakPolarHBondContact O-CG 3.32Å; A152-L157 PolarHBondContact O-N 2.79Å
153	A	80.6	Confident	78.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-54.5	-32.4	172.7	0	0	0	0	0	113.9	L40 L81 P151	L40-A153 WeakPolarHBondContact CB-O 3.26Å; L40-A153 WeakPolarHBondContact CD2-O 3.47Å; L81-A153 HydrophobicContact CB-CB 3.83Å; L81-A153 HydrophobicContact CD2-CB 4.14Å; P151-A153 HydrophobicContact CB-CB 4.39Å; P151-A153 PolarHBondContact O-N 2.87Å
154	F	79.6	Confident	78.3	Confident	1 Å²	1	43.5 Å²	43.5	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-100.1	-19.6	176.7	-60.2	-75.4	0	0	0	112.7	L40 L44 A52 L54 L81 A125 L135 L150 P151 A152	L40-F154 HydrophobicContact CD2-CD1 4.36Å; L44-F154 WeakPolarHBondContact CB-O 3.49Å; L44-F154 HydrophobicContact CD1-CB 4.2Å; L44-F154 HydrophobicContact CD1-CD1 3.96Å; A52-F154 HydrophobicContact CB-CD1 4.42Å; L54-F154 HydrophobicContact CB-CZ 4.21Å; L54-F154 HydrophobicContact CD2-CZ 4.42Å; L81-F154 HydrophobicContact CD2-CE2 4.07Å; L81-F154 HydrophobicContact CD2-CZ 4.33Å; A125-F154 HydrophobicContact CB-CB 4.49Å; A125-F154 HydrophobicContact CB-CD1 4.23Å; A125-F154 HydrophobicContact CB-CD2 4.32Å; A125-F154 HydrophobicContact CB-CG 4.1Å; L135-F154 HydrophobicContact CD1-CD2 4.38Å; L135-F154 HydrophobicContact CD1-CE2 3.95Å; L150-F154 HydrophobicContact CD1-CB 3.91Å; L150-F154 HydrophobicContact CG-CB 4.22Å; P151-F154 HydrophobicContact CB-CD2 3.95Å; P151-F154 HydrophobicContact CB-CE2 4.42Å; P151-F154 HydrophobicContact CG-CD2 4.08Å; P151-F154 HydrophobicContact CG-CE2 4.35Å; P151-F154 PolarHBondContact O-N 2.02Å; A152-F154 PolarHBondContact O-N 3.23Å
155	G	69.6	Low	78.2	Confident	12 Å²	12	43.4 Å²	43.4	12%	0.124	26%	0.26	C	S	.	.	H	α-helix	trans	-112	-37	-167.7	0	0	0	0	0	117.8	S43 P151 A152	S43-G155 WeakPolarHBondContact CB-O 3.49Å; S43-G155 PolarHBondContact OG-O 3.37Å; P151-G155 PolarHBondContact O-N 3.16Å; A152-G155 PolarHBondContact O-N 3.43Å
156	S	70.7	Confident	78.2	Confident	57 Å²	57	41.4 Å²	41.4	40%	0.399	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.9	21.9	-160.5	60.9	0	0	0	0	116.1	A152	A152-S156 WeakPolarHBondContact CB-OG 3.37Å; A152-S156 PolarHBondContact O-N 2.9Å
157	L	80.4	Confident	78.2	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-62	135.4	179.2	-63.7	-173.5	0	0	0	113.1	L40 G42 V71 Y80 A152 V164	L40-L157 HydrophobicContact CB-CD1 3.64Å; G42-L157 PolarHBondContact N-O 2.87Å; G42-L157 VanDerWaalsContact N-O 3.14Å; V71-L157 HydrophobicContact CG1-CD1 4.36Å; Y80-L157 HydrophobicContact CD1-CD2 3.56Å; Y80-L157 HydrophobicContact CD2-CD2 3.69Å; Y80-L157 HydrophobicContact CE1-CD2 3.99Å; Y80-L157 HydrophobicContact CE2-CD2 4.09Å; Y80-L157 HydrophobicContact CG-CD2 3.41Å; Y80-L157 VanDerWaalsContact CG-CD2 3.41Å; A152-L157 WeakPolarHBondContact O-CG 3.32Å; A152-L157 PolarHBondContact O-N 2.79Å; L157-V164 HydrophobicContact CB-CG2 4.13Å; L157-V164 HydrophobicContact CD1-CG1 3.92Å; L157-V164 HydrophobicContact CD1-CG2 3.89Å; L157-V164 HydrophobicContact CG-CG2 4.44Å
158	P	74.5	Confident	78.3	Confident	48 Å²	48	49.3 Å²	49.3	31%	0.312	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-66.3	128.9	-176	24.8	-32.8	0	0	0	111.7	K163	P158-K163 HydrophobicContact CG-CB 4.45Å
159	P	73.9	Confident	78.5	Confident	103 Å²	103	45.2 Å²	45.2	67%	0.669	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-72.8	135	179.4	29.2	-33.8	0	0	0	111.5
160	G	70.3	Confident	78.6	Confident	22 Å²	22	51.7 Å²	51.7	23%	0.227	29%	0.287	C	S	.	.	S	Bend	trans	148.4	155.4	169.5	0	0	0	0	0	114.4	Q41 N162 K163	Q41-G160 PolarHBondContact OE1-O 2.87Å; G160-N162 PolarHBondContact O-N 3.18Å; G160-K163 WeakPolarHBondContact O-CB 3.39Å; G160-K163 PolarHBondContact O-N 3.49Å
161	P	68.1	Low	78.2	Confident	119 Å²	119	54.8 Å²	54.8	77%	0.773	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	137.6	-179.9	26.3	-33.8	0	0	0	111.3	K163	P161-K163 VanDerWaalsContact C-N 3.32Å; P161-K163 PolarHBondContact O-N 3.46Å
162	N	69.1	Low	77.1	Confident	125 Å²	125	59 Å²	59	67%	0.668	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	34.9	-179.4	-59.4	-11	0	0	0	114.7	P74 G160	P74-N162 WeakPolarHBondContact CG-O 3.07Å; G160-N162 PolarHBondContact O-N 3.18Å
163	K	77.5	Confident	76.5	Confident	81 Å²	81	62.8 Å²	62.8	35%	0.352	38%	0.379	S	S	.	.	S	Bend	trans	-100.4	-26.4	173.6	-74.3	-70.4	-169.6	166	0	114	P158 G160 P161	P158-K163 HydrophobicContact CG-CB 4.45Å; G160-K163 WeakPolarHBondContact O-CB 3.39Å; G160-K163 PolarHBondContact O-N 3.49Å; P161-K163 VanDerWaalsContact C-N 3.32Å; P161-K163 PolarHBondContact O-N 3.46Å
164	V	83.5	Confident	75.9	Confident	9 Å²	9	69 Å²	69	6%	0.055	41%	0.408	C	S	.	.			trans	-132	139.5	179.1	-178.7	0	0	0	0	107.7	P37 Q41 V71 L72 Y80 L157	P37-V164 HydrophobicContact CB-CB 4.05Å; P37-V164 HydrophobicContact CB-CG1 4.09Å; P37-V164 WeakPolarHBondContact CB-O 3.1Å; Q41-V164 HydrophobicContact CG-CB 4.38Å; Q41-V164 HydrophobicContact CG-CG2 3.88Å; V71-V164 HydrophobicContact CG1-CG1 3.58Å; L72-V164 CarbonylContact O-C 3.53Å; L72-V164 WeakPolarHBondContact O-CA 3.31Å; Y80-V164 HydrophobicContact CE2-CG2 4.19Å; L157-V164 HydrophobicContact CB-CG2 4.13Å; L157-V164 HydrophobicContact CD1-CG1 3.92Å; L157-V164 HydrophobicContact CD1-CG2 3.89Å; L157-V164 HydrophobicContact CG-CG2 4.44Å
165	A	84.1	Confident	76.2	Confident	29 Å²	29	69.9 Å²	69.9	24%	0.24	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.3	175.7	0	0	0	0	0	109.8	L72 P74	L72-A165 HydrophobicContact CD1-CB 4.14Å; L72-A165 PolarHBondContact N-O 3.46Å; L72-A165 PolarHBondContact O-N 2.83Å; P74-A165 HydrophobicContact CB-CB 4.03Å; P74-A165 HydrophobicContact CG-CB 4.09Å
166	L	87.6	Confident	77	Confident	28 Å²	28	72.3 Å²	72.3	15%	0.147	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.8	173.9	179.1	66.7	0	0	0	109	L29 P33 L36 F69 V71 T168 L180	L29-L166 HydrophobicContact CB-CD2 4.12Å; P33-L166 HydrophobicContact CB-CD2 4.17Å; L36-L166 HydrophobicContact CD2-CB 4.41Å; L36-L166 HydrophobicContact CD2-CD1 3.84Å; L36-L166 HydrophobicContact CD2-CD2 3.93Å; L36-L166 HydrophobicContact CD2-CG 4.27Å; F69-L166 HydrophobicContact CB-CD1 4.43Å; V71-L166 HydrophobicContact CG2-CD1 4.11Å; L166-T168 HydrophobicContact CD1-CG2 4.5Å; L166-T168 HydrophobicContact CD2-CG2 4.15Å; L166-T168 HydrophobicContact CG-CG2 4.07Å; L166-L180 HydrophobicContact CD1-CD2 4.41Å; L166-L180 HydrophobicContact CD2-CD2 3.93Å
167	R	88.8	Confident	77.8	Confident	173 Å²	173	70 Å²	70	65%	0.653	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	120.2	172.2	178.2	179.7	-178.7	179.5	-0.7	108.8	F69 S70 L72	F69-R167 CarbonylContact C-O 3.51Å; F69-R167 VanDerWaalsContact CA-O 3.3Å; F69-R167 WeakPolarHBondContact CA-O 3.4Å; S70-R167 PolarHBondContact N-O 3Å; S70-R167 PolarHBondContact O-N 3.18Å; S70-R167 PolarHBondContact OG-O 3.29Å; L72-R167 HydrophobicContact CD2-CB 3.89Å
168	T	89.5	Confident	78	Confident	48 Å²	48	72.3 Å²	72.3	29%	0.294	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	164.4	178.9	56.3	0	0	0	0	111.4	L30 L68 F69 L166 Q170 L177 L180	L30-T168 HydrophobicContact CD2-CG2 4.27Å; L68-T168 CarbonylContact O-C 3.5Å; F69-T168 HydrophobicContact CB-CG2 4.25Å; L166-T168 HydrophobicContact CD1-CG2 4.5Å; L166-T168 HydrophobicContact CD2-CG2 4.15Å; L166-T168 HydrophobicContact CG-CG2 4.07Å; T168-Q170 PolarHBondContact O-N 2.79Å; T168-L177 HydrophobicContact CG2-CD2 4.1Å; T168-L180 HydrophobicContact CG2-CD2 3.75Å
169	L	85.3	Confident	78.6	Confident	33 Å²	33	71.5 Å²	71.5	17%	0.173	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-53.8	125.1	171.4	179.6	61.6	0	0	0	110.2	L60 T66 L68 S171 L177	L60-L169 HydrophobicContact CD2-CD2 4.19Å; T66-L169 HydrophobicContact CG2-CD1 3.49Å; T66-L169 VanDerWaalsContact CG2-CD1 3.49Å; T66-L169 HydrophobicContact CG2-CD2 3.99Å; T66-L169 HydrophobicContact CG2-CG 4.38Å; L68-L169 HydrophobicContact CD2-CD2 4.33Å; L68-L169 WeakPolarHBondContact O-CB 3.44Å; L68-L169 PolarHBondContact O-N 2.77Å; L169-S171 PolarHBondContact O-N 2.78Å; L169-L177 HydrophobicContact CB-CB 4.24Å
170	Q	75.7	Confident	79.3	Confident	175 Å²	175	66.6 Å²	66.6	82%	0.818	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-79.4	116	171.5	-65	-150.2	-31.6	0	0	109	T168 S172	T168-Q170 PolarHBondContact O-N 2.79Å; Q170-S172 PolarHBondContact O-N 2.88Å; Q170-S172 VanDerWaalsContact O-N 3.14Å
171	S	68.6	Low	80.1	Confident	81 Å²	81	67.8 Å²	67.8	57%	0.566	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-52.1	119.3	179.6	-173.3	0	0	0	0	110.9	L169 N176	L169-S171 PolarHBondContact O-N 2.78Å; S171-N176 WeakPolarHBondContact CB-OD1 3.31Å; S171-N176 PolarHBondContact OG-OD1 2.71Å
172	S	60.7	Low	80.9	Confident	88 Å²	88	62.1 Å²	62.1	62%	0.615	34%	0.344	S	S	*	.	B	Isolated β-bridge	trans	-131.7	98	-179.6	173.2	0	0	0	0	109.4	Q170 Q174 D175	Q170-S172 PolarHBondContact O-N 2.88Å; Q170-S172 VanDerWaalsContact O-N 3.14Å; S172-Q174 PolarHBondContact O-N 2.78Å; S172-D175 PolarHBondContact N-O 2.98Å; S172-D175 PolarHBondContact O-N 2.8Å
173	G	68.5	Low	81.7	Confident	82 Å²	82	56.2 Å²	56.2	85%	0.845	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	-95.5	174.3	0	0	0	0	0	113.5
174	Q	69.1	Low	81.8	Confident	131 Å²	131	52.7 Å²	52.7	61%	0.612	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-10.7	-173.3	-69.9	175.3	-46.4	0	0	113.8	Q61 S172	Q61-Q174 HydrophobicContact CB-CB 4.07Å; Q61-Q174 HydrophobicContact CG-CB 4.02Å; S172-Q174 PolarHBondContact O-N 2.78Å
175	D	84	Confident	80.9	Confident	20 Å²	20	56.3 Å²	56.3	11%	0.107	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-95.9	122.5	175.7	-60	-24.7	0	0	0	109.6	R59 L60 Q61 N62 S172	R59-D175 CarbonylContact O-C 3.56Å; R59-D175 WeakPolarHBondContact O-CA 3.44Å; L60-D175 WeakPolarHBondContact CA-OD1 3.41Å; L60-D175 HydrophobicContact CD2-CB 3.78Å; Q61-D175 PolarHBondContact N-OD1 3.26Å; N62-D175 WeakPolarHBondContact CB-OD2 3.48Å; N62-D175 PolarHBondContact N-OD1 3.26Å; S172-D175 PolarHBondContact N-O 2.98Å; S172-D175 PolarHBondContact O-N 2.8Å
176	N	86.4	Confident	80.3	Confident	63 Å²	63	55.8 Å²	55.8	34%	0.337	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	140.9	-179.4	-164.3	32.6	0	0	0	112.9	F58 R59 S171	F58-N176 WeakPolarHBondContact CA-O 3.45Å; R59-N176 PolarHBondContact N-O 3.39Å; R59-N176 PolarHBondContact O-N 2.93Å; S171-N176 WeakPolarHBondContact CB-OD1 3.31Å; S171-N176 PolarHBondContact OG-OD1 2.71Å
177	L	88.1	Confident	79.6	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	108.2	164.5	-175.3	70.3	0	0	0	106.9	L30 S57 F58 L68 T168 L169 L180	L30-L177 HydrophobicContact CD2-CD2 3.84Å; L30-L177 HydrophobicContact CD2-CG 4.32Å; S57-L177 CarbonylContact O-C 3.55Å; S57-L177 WeakPolarHBondContact O-CD1 3.33Å; F58-L177 HydrophobicContact CB-CD1 4.09Å; L68-L177 HydrophobicContact CB-CD1 4.45Å; T168-L177 HydrophobicContact CG2-CD2 4.1Å; L169-L177 HydrophobicContact CB-CB 4.24Å; L177-L180 HydrophobicContact CD2-CB 4.33Å; L177-L180 HydrophobicContact CD2-CD2 4.38Å
178	T	84.9	Confident	78.9	Confident	53 Å²	53	51 Å²	51	33%	0.325	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-33.5	-171.8	51.7	0	0	0	0	112.4	L30 S57 E118	L30-T178 WeakPolarHBondContact CD1-O 3.35Å; S57-T178 VanDerWaalsContact C-OG1 3.29Å; S57-T178 VanDerWaalsContact CB-OG1 3.27Å; S57-T178 WeakPolarHBondContact CB-OG1 3.39Å; S57-T178 PolarHBondContact O-N 3.44Å; S57-T178 PolarHBondContact O-OG1 3.19Å; S57-T178 VanDerWaalsContact O-OG1 3.09Å; E118-T178 WeakPolarHBondContact OE1-CB 3.22Å; E118-T178 PolarHBondContact OE1-OG1 3.38Å
179	D	86.1	Confident	77.8	Confident	30 Å²	30	53.6 Å²	53.6	16%	0.16	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144.8	179.9	-152.3	-6.9	0	0	0	111.4	S56 S57 K181	S56-D179 CarbonylContact C-O 3.6Å; S56-D179 VanDerWaalsContact CA-O 3.31Å; S56-D179 WeakPolarHBondContact CA-O 3.4Å; S57-D179 PolarHBondContact N-O 2.85Å; S57-D179 PolarHBondContact O-N 2.87Å; D179-K181 WeakPolarHBondContact OD1-CD 3.49Å; D179-K181 WeakPolarHBondContact OD1-CE 3.3Å; D179-K181 WeakPolarHBondContact OD1-CG 3.37Å; D179-K181 IonicContact OD1-NZ 3.55Å; D179-K181 WeakPolarHBondContact OD2-CD 3.4Å; D179-K181 WeakPolarHBondContact OD2-CE 3.13Å; D179-K181 IonicContact OD2-NZ 2.67Å; D179-K181 PolarHBondContact OD2-NZ 3.36Å
180	L	89.1	Confident	77.2	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	108.1	170.4	-173.8	67.9	0	0	0	108.5	L29 L30 L54 L55 F69 L166 T168 L177	L29-L180 WeakPolarHBondContact CA-O 3.48Å; L29-L180 HydrophobicContact CB-CB 4.37Å; L29-L180 HydrophobicContact CB-CD2 4.05Å; L29-L180 HydrophobicContact CB-CG 4.02Å; L29-L180 VanDerWaalsContact CB-O 3.26Å; L29-L180 WeakPolarHBondContact CB-O 3.31Å; L29-L180 HydrophobicContact CD1-CD2 4.44Å; L29-L180 HydrophobicContact CD1-CG 4.12Å; L29-L180 PolarHBondContact N-O 2.87Å; L30-L180 HydrophobicContact CD1-CB 4.45Å; L30-L180 HydrophobicContact CD2-CB 3.81Å; L30-L180 HydrophobicContact CD2-CD2 4.48Å; L30-L180 HydrophobicContact CG-CB 3.77Å; L54-L180 HydrophobicContact CD1-CD1 4.42Å; L55-L180 CarbonylContact O-C 3.46Å; L55-L180 VanDerWaalsContact O-CA 3.26Å; L55-L180 WeakPolarHBondContact O-CA 3.25Å; F69-L180 HydrophobicContact CB-CD2 4.26Å; F69-L180 HydrophobicContact CD1-CD1 3.71Å; F69-L180 HydrophobicContact CE1-CD1 3.87Å; F69-L180 HydrophobicContact CG-CD1 4.14Å; F69-L180 HydrophobicContact CG-CD2 4.39Å; F69-L180 HydrophobicContact CZ-CD1 4.45Å; L166-L180 HydrophobicContact CD1-CD2 4.41Å; L166-L180 HydrophobicContact CD2-CD2 3.93Å; T168-L180 HydrophobicContact CG2-CD2 3.75Å; L177-L180 HydrophobicContact CD2-CB 4.33Å; L177-L180 HydrophobicContact CD2-CD2 4.38Å
181	K	87.1	Confident	77.1	Confident	47 Å²	47	46.8 Å²	46.8	20%	0.204	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143	-174.3	-72.4	162.7	178.5	159.5	0	111.7	V26 Y27 L55 D179	V26-K181 HydrophobicContact CG1-CB 4.38Å; V26-K181 HydrophobicContact CG1-CD 4.17Å; V26-K181 HydrophobicContact CG1-CG 4.3Å; Y27-K181 CarbonylContact O-C 3.58Å; Y27-K181 WeakPolarHBondContact O-CA 2.97Å; L55-K181 HydrophobicContact CB-CB 4.28Å; L55-K181 HydrophobicContact CD1-CB 4.48Å; L55-K181 PolarHBondContact N-O 2.74Å; L55-K181 PolarHBondContact O-N 2.81Å; D179-K181 WeakPolarHBondContact OD1-CD 3.49Å; D179-K181 WeakPolarHBondContact OD1-CE 3.3Å; D179-K181 WeakPolarHBondContact OD1-CG 3.37Å; D179-K181 IonicContact OD1-NZ 3.55Å; D179-K181 WeakPolarHBondContact OD2-CD 3.4Å; D179-K181 WeakPolarHBondContact OD2-CE 3.13Å; D179-K181 IonicContact OD2-NZ 2.67Å; D179-K181 PolarHBondContact OD2-NZ 3.36Å
182	L	85.8	Confident	77	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.4	166.1	-179.3	78.3	0	0	0	108.8	Y27 L29 L36 L39 F53 L54 I184	Y27-L182 HydrophobicContact CD2-CD2 4.5Å; Y27-L182 PolarHBondContact N-O 3.16Å; Y27-L182 PolarHBondContact O-N 3.47Å; L29-L182 HydrophobicContact CD1-CB 4.02Å; L29-L182 HydrophobicContact CD2-CB 4.31Å; L29-L182 HydrophobicContact CG-CB 4.45Å; L36-L182 HydrophobicContact CD1-CB 4.12Å; L36-L182 HydrophobicContact CD1-CD1 4.34Å; L36-L182 HydrophobicContact CD1-CD2 3.74Å; L36-L182 HydrophobicContact CD1-CG 4.31Å; L39-L182 HydrophobicContact CB-CD2 4.26Å; L39-L182 HydrophobicContact CD1-CD2 4.13Å; F53-L182 CarbonylContact O-C 3.6Å; F53-L182 WeakPolarHBondContact O-CA 3.4Å; F53-L182 WeakPolarHBondContact O-CD1 3.44Å; L54-L182 HydrophobicContact CD1-CB 4.5Å; L54-L182 HydrophobicContact CD1-CD1 4.3Å; L182-I184 HydrophobicContact CD2-CD1 3.73Å; L182-I184 HydrophobicContact CD2-CG1 3.99Å; L182-I184 HydrophobicContact CG-CD1 4.29Å; L182-I184 HydrophobicContact CG-CG1 3.97Å
183	V	84.8	Confident	77.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.1	173.8	-168.1	0	0	0	0	109	I25 V26 F53 L55 D186 V191 L194	I25-V183 WeakPolarHBondContact O-CA 3.49Å; V26-V183 HydrophobicContact CG1-CG2 4.23Å; V26-V183 HydrophobicContact CG2-CG1 4.06Å; V26-V183 HydrophobicContact CG2-CG2 4.05Å; F53-V183 HydrophobicContact CB-CB 4.18Å; F53-V183 PolarHBondContact N-O 2.96Å; F53-V183 PolarHBondContact O-N 2.77Å; L55-V183 HydrophobicContact CD1-CG2 3.89Å; L55-V183 HydrophobicContact CG-CG2 4.48Å; V183-D186 HydrophobicContact CG1-CB 3.9Å; V183-V191 HydrophobicContact CB-CG2 4.35Å; V183-V191 HydrophobicContact CG1-CG2 3.99Å; V183-L194 HydrophobicContact CG2-CD1 4.11Å
184	I	79.4	Confident	77.3	Confident	8 Å²	8	43 Å²	43	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.8	178.2	-41.6	178.9	0	0	0	107.9	I25 Y27 L44 R49 L182	I25-I184 PolarHBondContact N-O 3.04Å; I25-I184 PolarHBondContact O-N 3.11Å; I25-I184 VanDerWaalsContact O-N 3.1Å; Y27-I184 HydrophobicContact CE2-CD1 4.27Å; L44-I184 HydrophobicContact CD2-CD1 4.27Å; R49-I184 HydrophobicContact CB-CG2 4.26Å; R49-I184 HydrophobicContact CG-CG2 3.89Å; L182-I184 HydrophobicContact CD2-CD1 3.73Å; L182-I184 HydrophobicContact CD2-CG1 3.99Å; L182-I184 HydrophobicContact CG-CD1 4.29Å; L182-I184 HydrophobicContact CG-CG1 3.97Å
185	E	66.2	Low	77.1	Confident	84 Å²	84	37.3 Å²	37.3	39%	0.393	20%	0.202	S	C	.	.	S	Bend	trans	69.5	37.6	178.5	-51.4	-177.1	119.1	0	0	114.7	G24 R49	G24-E185 WeakPolarHBondContact CA-O 3.48Å; R49-E185 IonicContact CZ-OE1 3.26Å; R49-E185 IonicContact CZ-OE2 2.9Å; R49-E185 IonicContact NE-OE1 2.85Å; R49-E185 PolarHBondContact NE-OE1 3.25Å; R49-E185 VanDerWaalsContact NE-OE1 3.15Å; R49-E185 IonicContact NE-OE2 3.89Å; R49-E185 PolarHBondContact NE-OE2 3Å; R49-E185 IonicContact NH1-OE1 2.73Å; R49-E185 PolarHBondContact NH1-OE1 3.45Å; R49-E185 IonicContact NH2-OE1 3.36Å; R49-E185 PolarHBondContact NH2-OE1 3.2Å; R49-E185 IonicContact NH2-OE2 3.49Å; R49-E185 PolarHBondContact NH2-OE2 3.48Å
186	D	70.2	Confident	76.1	Confident	18 Å²	18	43.8 Å²	43.8	10%	0.096	24%	0.236	C	C	.	.			trans	-130	162.5	174.5	-140.8	-25.1	0	0	0	111.6	G24 F53 V183 N190 V191	G24-D186 WeakPolarHBondContact CA-OD2 3.22Å; G24-D186 PolarHBondContact N-OD2 3.09Å; F53-D186 VanDerWaalsContact CE2-O 3.32Å; F53-D186 WeakPolarHBondContact CE2-O 3.23Å; V183-D186 HydrophobicContact CG1-CB 3.9Å; D186-N190 WeakPolarHBondContact OD1-CB 3.36Å; D186-N190 PolarHBondContact OD1-ND2 2.87Å; D186-V191 HydrophobicContact CB-CG2 3.76Å
187	T	73.3	Confident	74.7	Confident	63 Å²	63	41.1 Å²	41.1	39%	0.387	22%	0.222	S	C	.	.			trans	-86.7	153.1	175.1	62.6	0	0	0	0	111.2	D189 N190 V191	T187-D189 PolarHBondContact O-N 2.8Å; T187-D189 VanDerWaalsContact O-N 3.16Å; T187-N190 PolarHBondContact O-N 3.06Å; T187-N190 PolarHBondContact OG1-N 2.98Å; T187-N190 PolarHBondContact OG1-ND2 3.18Å; T187-V191 WeakPolarHBondContact O-CG2 3.1Å; T187-V191 PolarHBondContact O-N 2.79Å
188	I	74.2	Confident	72.6	Confident	38 Å²	38	46.3 Å²	46.3	20%	0.195	26%	0.259	C	S	.	.	H	α-helix	trans	-53.1	-37.4	176.9	-168.5	168.6	0	0	0	112.7	F53 M122 Y138 V191 A192	F53-I188 HydrophobicContact CE1-CB 4.13Å; F53-I188 HydrophobicContact CE1-CG1 4.22Å; F53-I188 HydrophobicContact CZ-CB 4.3Å; M122-I188 HydrophobicContact CE-CG1 4.31Å; Y138-I188 HydrophobicContact CE2-CD1 4.12Å; Y138-I188 WeakPolarHBondContact OH-CD1 3.4Å; I188-V191 PolarHBondContact O-N 3.45Å; I188-A192 WeakPolarHBondContact O-CB 3.22Å; I188-A192 PolarHBondContact O-N 2.89Å
189	D	67.1	Low	70.6	Confident	102 Å²	102	47.8 Å²	47.8	55%	0.545	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-40.7	179	-59.6	-41	0	0	0	112.1	T187 T193	T187-D189 PolarHBondContact O-N 2.8Å; T187-D189 VanDerWaalsContact O-N 3.16Å; D189-T193 WeakPolarHBondContact O-CG2 3.2Å
190	N	71.6	Confident	68	Low	66 Å²	66	55.2 Å²	55.2	35%	0.353	30%	0.297	S	S	.	.	H	α-helix	trans	-71.6	-39.7	177	-72.1	-14.1	0	0	0	111.2	D186 T187 A192 T193	D186-N190 WeakPolarHBondContact OD1-CB 3.36Å; D186-N190 PolarHBondContact OD1-ND2 2.87Å; T187-N190 PolarHBondContact O-N 3.06Å; T187-N190 PolarHBondContact OG1-N 2.98Å; T187-N190 PolarHBondContact OG1-ND2 3.18Å; N190-A192 VanDerWaalsContact C-N 3.35Å; N190-T193 PolarHBondContact O-N 2.84Å; N190-T193 PolarHBondContact O-OG1 2.83Å
191	V	74.6	Confident	65.1	Low	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68.2	-35.5	178.7	-179.1	0	0	0	0	111.6	F53 L55 M122 V183 D186 T187 I188 T193 L194	F53-V191 HydrophobicContact CB-CG1 4.03Å; F53-V191 HydrophobicContact CD1-CB 4.22Å; F53-V191 HydrophobicContact CD1-CG1 3.92Å; F53-V191 HydrophobicContact CD1-CG2 4.22Å; F53-V191 HydrophobicContact CD2-CG2 3.81Å; F53-V191 HydrophobicContact CE1-CB 4.39Å; F53-V191 HydrophobicContact CE1-CG2 4.34Å; F53-V191 HydrophobicContact CE2-CG2 3.97Å; F53-V191 HydrophobicContact CG-CB 4.35Å; F53-V191 HydrophobicContact CG-CG1 3.94Å; F53-V191 HydrophobicContact CG-CG2 3.96Å; F53-V191 HydrophobicContact CZ-CG2 4.23Å; L55-V191 HydrophobicContact CD1-CG1 3.96Å; L55-V191 HydrophobicContact CD2-CG1 3.8Å; L55-V191 HydrophobicContact CG-CG1 4.28Å; M122-V191 HydrophobicContact SD-CG1 3.87Å; V183-V191 HydrophobicContact CB-CG2 4.35Å; V183-V191 HydrophobicContact CG1-CG2 3.99Å; D186-V191 HydrophobicContact CB-CG2 3.76Å; T187-V191 WeakPolarHBondContact O-CG2 3.1Å; T187-V191 PolarHBondContact O-N 2.79Å; I188-V191 PolarHBondContact O-N 3.45Å; V191-T193 PolarHBondContact O-N 3.49Å; V191-L194 WeakPolarHBondContact O-CB 3.34Å; V191-L194 PolarHBondContact O-N 2.85Å
192	A	66.4	Low	62.4	Low	2 Å²	2	63 Å²	63	2%	0.017	36%	0.361	C	S	.	.	H	α-helix	trans	-58.5	-37.2	174.4	0	0	0	0	0	111.8	I188 N190 L194 Q195 C197 M199	I188-A192 WeakPolarHBondContact O-CB 3.22Å; I188-A192 PolarHBondContact O-N 2.89Å; N190-A192 VanDerWaalsContact C-N 3.35Å; A192-L194 PolarHBondContact O-N 3.01Å; A192-Q195 PolarHBondContact O-N 3.05Å; A192-Q195 VanDerWaalsContact O-N 3.16Å; A192-C197 CarbonylContact C-O 3.48Å; A192-C197 HydrophobicContact CB-CB 4.01Å; A192-C197 WeakPolarHBondContact O-CB 3.11Å; A192-C197 PolarHBondContact O-N 2.76Å; A192-M199 HydrophobicContact CB-CG 3.94Å
193	T	69.1	Low	59.5	Low	94 Å²	94	71.9 Å²	71.9	58%	0.577	40%	0.402	S	S	*	.	H	α-helix	trans	-65.3	-19.6	175.5	70.9	0	0	0	0	114	D189 N190 V191 Q195	D189-T193 WeakPolarHBondContact O-CG2 3.2Å; N190-T193 PolarHBondContact O-N 2.84Å; N190-T193 PolarHBondContact O-OG1 2.83Å; V191-T193 PolarHBondContact O-N 3.49Å; T193-Q195 VanDerWaalsContact C-N 3.34Å
194	L	65.3	Low	56.6	Low	75 Å²	75	77.7 Å²	77.7	39%	0.393	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.9	176.8	-63.8	172	0	0	0	113.5	V26 L55 V183 V191 A192	V26-L194 HydrophobicContact CG2-CD1 3.96Å; L55-L194 HydrophobicContact CD1-CB 4.37Å; V183-L194 HydrophobicContact CG2-CD1 4.11Å; V191-L194 WeakPolarHBondContact O-CB 3.34Å; V191-L194 PolarHBondContact O-N 2.85Å; A192-L194 PolarHBondContact O-N 3.01Å
195	Q	65.1	Low	54.1	Low	12 Å²	12	84.9 Å²	84.9	6%	0.056	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	20.5	173.7	-71.6	-166.2	-35	0	0	112.4	L55 V121 A192 T193 C197	L55-Q195 HydrophobicContact CD1-CG 4.35Å; L55-Q195 HydrophobicContact CD2-CG 4.29Å; V121-Q195 PolarHBondContact O-NE2 3.04Å; A192-Q195 PolarHBondContact O-N 3.05Å; A192-Q195 VanDerWaalsContact O-N 3.16Å; T193-Q195 VanDerWaalsContact C-N 3.34Å; Q195-C197 PolarHBondContact O-N 2.76Å
196	D	63.1	Low	52.1	Low	155 Å²	155	89.8 Å²	89.8	83%	0.829	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	26.7	-175.1	-71.8	-32.6	0	0	0	114
197	C	57	Low	50.1	Low	8 Å²	8	96.1 Å²	96.1	5%	0.054	54%	0.536	C	S	.	.			trans	-89.6	127.8	176.7	-62.9	0	0	0	0	111.1	C141 A192 Q195	C141-C197 HydrophobicContact CB-CB 3.65Å; C141-C197 WeakPolarHBondContact CB-SG 3.07Å; C141-C197 VanDerWaalsContact SG-CA 3.5Å; C141-C197 WeakPolarHBondContact SG-CB 3.33Å; C141-C197 CovalentContact SG-SG 2.02Å; C141-C197 PolarHBondContact SG-SG 3.24Å; A192-C197 CarbonylContact C-O 3.48Å; A192-C197 HydrophobicContact CB-CB 4.01Å; A192-C197 WeakPolarHBondContact O-CB 3.11Å; A192-C197 PolarHBondContact O-N 2.76Å; Q195-C197 PolarHBondContact O-N 2.76Å
198	S	45	Very low	47.7	Very low	116 Å²	116	100.9 Å²	100.9	81%	0.811	56%	0.558	S	S	*	*			trans	-101	110.8	167	-58.8	0	0	0	0	108.9	E200	S198-E200 PolarHBondContact O-N 3.38Å
199	M	41.3	Very low	45.4	Very low	85 Å²	85	102 Å²	102	42%	0.419	58%	0.58	S	S	.	*			trans	-78.8	113.6	173.7	-64.7	-73.6	-80.4	0	0	108.4	A192	A192-M199 HydrophobicContact CB-CG 3.94Å
200	E	31.6	Very low	43.3	Very low	186 Å²	186	106.1 Å²	106.1	87%	0.869	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-77.2	135.1	176.4	-70.9	-150.6	156.5	0	0	111.5	S198	S198-E200 PolarHBondContact O-N 3.38Å
201	P	28.9	Very low	41	Very low	118 Å²	118	111.7 Å²	111.7	77%	0.766	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-79.8	154.2	166.5	32.6	-30.1	0	0	0	110.9
202	A	29.8	Very low	38.7	Very low	94 Å²	94	115.8 Å²	115.8	78%	0.777	66%	0.659	S	S	*	*	S	Bend	trans	-50.6	149.8	-176.4	0	0	0	0	0	116.8
203	E	26.5	Very low	36.7	Very low	186 Å²	186	119.2 Å²	119.2	87%	0.869	70%	0.695	S	S	*	*			trans	70.1	123.3	161	-69	-175.8	169.8	0	0	120.7
204	S	22.5	Very low	34.6	Very low	121 Å²	121	126.2 Å²	126.2	85%	0.846	71%	0.711	S	S	*	*				150	143.4	107.3	55.8	0	0	0	0	114.5
205	L	27.3	Very low	32.8	Very low	160 Å²	160	129.3 Å²	129.3	84%	0.838	73%	0.733	S	S	*	*			trans	-42.7	137.8	177.8	-86.3	87.8	0	0	0	114.9
206	H	24.9	Very low	31.2	Very low	186 Å²	186	135 Å²	135	86%	0.861	77%	0.768	S	S	*	*				-158.2	123.4	128.8	-118.5	-67.5	0	0	0	114.3
207	L	26.9	Very low	29.6	Very low	151 Å²	151	135.9 Å²	135.9	79%	0.791	77%	0.767	S	S	*	*			trans	-50.4	143.5	161.1	-125.2	86.6	0	0	0	113
208	L	23.8	Very low	28.4	Very low	163 Å²	163	141.6 Å²	141.6	85%	0.853	80%	0.797	S	S	*	*			trans	147.5	109.6	147.7	-80.8	164.3	0	0	0	107
209	G	24.7	Very low	28	Very low	63 Å²	63	144.6 Å²	144.6	65%	0.649	80%	0.798	S	S	*	*				80.9	104.1	56.9	0	0	0	0	0	110
210	F	23.9	Very low	28.1	Very low	188 Å²	188	146.3 Å²	146.3	83%	0.825	81%	0.814	S	S	*	*			trans	163	100.2	148.3	-99.6	-82.5	0	0	0	108
211	Q	24.1	Very low	29.1	Very low	182 Å²	182	140.8 Å²	140.8	85%	0.85	80%	0.796	S	S	*	*				71	113.7	92.7	-97	-174.5	0.1	0	0	116.1
212	G	24.8	Very low	30.1	Very low	87 Å²	87	141.7 Å²	141.7	90%	0.897	79%	0.792	S	S	*	*			trans	147.2	115.1	155.3	0	0	0	0	0	109.9
213	G	25.4	Very low	30.9	Very low	74 Å²	74	144.7 Å²	144.7	76%	0.763	79%	0.79	S	S	*	*			cis	169	122.9	4	0	0	0	0	0	107.1
214	R	25.8	Very low	32.1	Very low	240 Å²	240	143.1 Å²	143.1	91%	0.906	78%	0.783	S	S	*	*			trans	14.5	123.6	155.6	-69.7	175.6	169.6	174.8	-4.7	118.9
215	V	25.9	Very low	33.2	Very low	141 Å²	141	143 Å²	143	86%	0.855	77%	0.772	S	S	*	*				-137.5	108.9	119.3	-178.2	0	0	0	0	108.3
216	V	31.7	Very low	34.1	Very low	131 Å²	131	143 Å²	143	79%	0.794	77%	0.765	S	S	*	*			trans	-117.1	146.5	161.5	172.1	0	0	0	0	106
217	Q	30.2	Very low	35.2	Very low	173 Å²	173	137.6 Å²	137.6	81%	0.808	75%	0.749	S	S	*	*			trans	87.6	111.7	-171.3	-57.1	-178.4	-49.9	0	0	110.7
218	D	32	Very low	36.2	Very low	128 Å²	128	137.5 Å²	137.5	68%	0.684	75%	0.746	S	S	*	*				-175.5	107.4	50.8	-163.6	16.4	0	0	0	108.3
219	Q	36.3	Very low	37.5	Very low	180 Å²	180	135.2 Å²	135.2	84%	0.841	73%	0.734	S	S	*	*	S	Bend	trans	-147.8	9.6	171.1	-107.9	-174.1	-3.2	0	0	115.2
220	T	42.4	Very low	38.6	Very low	121 Å²	121	135.6 Å²	135.6	74%	0.742	73%	0.726	S	S	*	*	S	Bend	trans	-94.7	5.8	174.7	41.9	0	0	0	0	113.9
221	S	53.3	Low	40.1	Very low	70 Å²	70	132.8 Å²	132.8	49%	0.49	72%	0.716	S	S	.	*	S	Bend	trans	-109.9	6.2	-176.8	-47.4	0	0	0	0	116
222	I	49.8	Very low	41.3	Very low	136 Å²	136	131.1 Å²	131.1	70%	0.697	71%	0.71	S	S	*	*	S	Bend	trans	-118.8	-4.4	-179.9	-70	177.8	0	0	0	113.3
223	Q	47.4	Very low	42.4	Very low	158 Å²	158	135.8 Å²	135.8	74%	0.738	70%	0.7	S	S	*	*	S	Bend	trans	-94.8	-32.1	176	-123.3	145.4	-31.9	0	0	113.1	L225 K226	Q223-L225 VanDerWaalsContact C-N 3.35Å; Q223-K226 PolarHBondContact O-N 2.61Å
224	E	51.1	Low	43.4	Very low	152 Å²	152	139.2 Å²	139.2	71%	0.71	70%	0.697	S	S	*	*	H	α-helix	trans	-71.4	-28.6	172.4	-69.5	-176.9	157.5	0	0	112.8	K226 S227 M228	E224-K226 VanDerWaalsContact C-N 3.32Å; E224-K226 PolarHBondContact O-N 3.46Å; E224-S227 PolarHBondContact O-N 3.46Å; E224-M228 PolarHBondContact O-N 3.46Å
225	L	44.7	Very low	44.7	Very low	118 Å²	118	134.1 Å²	134.1	62%	0.618	69%	0.687	S	S	*	*	H	α-helix	trans	-77.5	-16.7	177.9	-131.8	140.1	0	0	0	113.1	Q223 L229	Q223-L225 VanDerWaalsContact C-N 3.35Å; L225-L229 HydrophobicContact CD2-CD1 4.14Å
226	K	46.7	Very low	45.7	Very low	161 Å²	161	133 Å²	133	70%	0.7	68%	0.675	S	S	*	*	H	α-helix	trans	-83.5	-26.9	171.1	-95.2	-178.1	173.7	179.1	0	112.9	Q223 E224	Q223-K226 PolarHBondContact O-N 2.61Å; E224-K226 VanDerWaalsContact C-N 3.32Å; E224-K226 PolarHBondContact O-N 3.46Å
227	S	48	Very low	46.4	Very low	73 Å²	73	132.4 Å²	132.4	51%	0.51	66%	0.663	S	S	.	*	H	α-helix	trans	-73.9	-46.4	178.3	178	0	0	0	0	111.8	E224 L229 S230	E224-S227 PolarHBondContact O-N 3.46Å; S227-L229 PolarHBondContact O-N 2.97Å; S227-S230 VanDerWaalsContact O-CB 3.31Å; S227-S230 WeakPolarHBondContact O-CB 3.4Å; S227-S230 PolarHBondContact O-N 3.12Å
228	M	49.4	Very low	47.2	Very low	149 Å²	149	132.4 Å²	132.4	73%	0.734	66%	0.661	S	S	*	*	H	α-helix	trans	-70.6	-27.7	-179.7	-71.5	-172.1	177.6	0	0	114.6	E224 S230	E224-M228 PolarHBondContact O-N 3.46Å; M228-S230 VanDerWaalsContact C-N 3.3Å
229	L	51.2	Low	47.8	Very low	115 Å²	115	133.7 Å²	133.7	60%	0.602	66%	0.663	S	S	*	*	H	α-helix	trans	-77.7	-15.1	175.4	-92	159.6	0	0	0	113.3	L225 S227	L225-L229 HydrophobicContact CD2-CD1 4.14Å; S227-L229 PolarHBondContact O-N 2.97Å
230	S	47.5	Very low	48.5	Very low	70 Å²	70	130 Å²	130	49%	0.49	65%	0.648	S	S	.	*	H	α-helix	trans	-75.4	-45.4	173.7	-176.1	0	0	0	0	111	S227 M228 M232 R233 E234	S227-S230 VanDerWaalsContact O-CB 3.31Å; S227-S230 WeakPolarHBondContact O-CB 3.4Å; S227-S230 PolarHBondContact O-N 3.12Å; M228-S230 VanDerWaalsContact C-N 3.3Å; S230-M232 PolarHBondContact O-N 3.07Å; S230-R233 PolarHBondContact O-N 2.85Å; S230-E234 PolarHBondContact O-N 3.39Å
231	E	55.4	Low	48.6	Very low	130 Å²	130	133.2 Å²	133.2	61%	0.607	65%	0.652	S	S	*	*	H	α-helix	trans	-70.4	-31.7	-178.8	-71.9	-176.2	147.5	0	0	113.4	R233	E231-R233 VanDerWaalsContact C-N 3.27Å; E231-R233 PolarHBondContact O-N 2.95Å
232	M	47.5	Very low	48.5	Very low	146 Å²	146	137.8 Å²	137.8	72%	0.719	67%	0.665	S	S	*	*	H	α-helix	trans	-70.6	-21.9	173.8	-121.4	-169.9	87.5	0	0	113.3	S230	S230-M232 PolarHBondContact O-N 3.07Å
233	R	47.9	Very low	48.3	Very low	185 Å²	185	135.6 Å²	135.6	70%	0.698	66%	0.658	S	S	*	*	H	α-helix	trans	-84.3	-26.5	-178.2	-169.3	174.4	175.6	168.1	-1.9	112.6	S230 E231 H237	S230-R233 PolarHBondContact O-N 2.85Å; E231-R233 VanDerWaalsContact C-N 3.27Å; E231-R233 PolarHBondContact O-N 2.95Å; R233-H237 PolarHBondContact O-ND1 3.29Å
234	E	48.2	Very low	48.2	Very low	147 Å²	147	133.2 Å²	133.2	69%	0.687	65%	0.65	S	S	*	*	H	α-helix	trans	-78.3	-34.1	174.5	-106.1	-173.4	148.7	0	0	112.9	S230 L236 H237 K238	S230-E234 PolarHBondContact O-N 3.39Å; E234-L236 VanDerWaalsContact C-N 3.27Å; E234-L236 PolarHBondContact O-N 2.91Å; E234-H237 PolarHBondContact O-N 2.95Å; E234-K238 PolarHBondContact O-N 2.84Å
235	L	52.3	Low	47.9	Very low	133 Å²	133	134.4 Å²	134.4	70%	0.696	65%	0.654	S	S	*	*	H	α-helix	trans	-69.4	-21	174	-82.2	160.3	0	0	0	113.6
236	L	46.9	Very low	48	Very low	116 Å²	116	136.6 Å²	136.6	61%	0.607	67%	0.665	S	S	*	*	H	α-helix	trans	-85.1	-24.9	174.3	-161.9	72.6	0	0	0	113.2	E234	E234-L236 VanDerWaalsContact C-N 3.27Å; E234-L236 PolarHBondContact O-N 2.91Å
237	H	45.4	Very low	48	Very low	119 Å²	119	138.5 Å²	138.5	55%	0.551	67%	0.668	S	S	*	*	H	α-helix	trans	-85.9	-21.7	178.5	-78.6	83.7	0	0	0	113.6	R233 E234	R233-H237 PolarHBondContact O-ND1 3.29Å; E234-H237 PolarHBondContact O-N 2.95Å
238	K	47.5	Very low	47.9	Very low	173 Å²	173	142 Å²	142	75%	0.752	68%	0.681	S	S	*	*	H	α-helix	trans	-75.9	-26	172.6	-104.7	175.9	175.8	173.5	0	113.6	E234 I240	E234-K238 PolarHBondContact O-N 2.84Å; K238-I240 VanDerWaalsContact C-N 3.34Å; K238-I240 PolarHBondContact O-N 3.1Å
239	Q	44.9	Very low	47.6	Very low	155 Å²	155	140.9 Å²	140.9	72%	0.724	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-9.1	174.2	-83.1	-138.8	-35.6	0	0	115.5	T243	Q239-T243 PolarHBondContact O-OG1 3.27Å
240	I	51.6	Low	47.5	Very low	104 Å²	104	143.5 Å²	143.5	53%	0.533	70%	0.695	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.4	-11.5	179.9	-65.9	172.9	0	0	0	112.2	K238	K238-I240 VanDerWaalsContact C-N 3.34Å; K238-I240 PolarHBondContact O-N 3.1Å
241	K	43.8	Very low	47	Very low	188 Å²	188	144.7 Å²	144.7	82%	0.817	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-16.2	178.7	-122.6	178.8	-179.8	-178.2	0	114.4
242	E	50.7	Low	46.2	Very low	166 Å²	166	148.1 Å²	148.1	78%	0.776	73%	0.725	S	S	*	*	S	Bend	trans	-95.2	-5.7	176.3	-73.2	-173.1	154.4	0	0	114.5
243	T	46.1	Very low	45.6	Very low	89 Å²	89	146.7 Å²	146.7	55%	0.546	73%	0.728	S	S	.	*	S	Bend	trans	-97.7	7.5	-179.7	32.8	0	0	0	0	115.1	Q239	Q239-T243 PolarHBondContact O-OG1 3.27Å
244	N	45	Very low	44.8	Very low	108 Å²	108	146 Å²	146	58%	0.578	74%	0.738	S	S	*	*	S	Bend	trans	-119	3.9	-177.8	-83.2	-31.9	0	0	0	116.2
245	F	44.5	Very low	43.9	Very low	178 Å²	178	143.2 Å²	143.2	78%	0.781	74%	0.74	S	S	*	*	S	Bend	trans	-97.5	-19.7	169.9	-165.8	-105.7	0	0	0	113.4	R247	F245-R247 VanDerWaalsContact C-N 3.32Å; F245-R247 PolarHBondContact O-N 2.78Å
246	L	47	Very low	42.7	Very low	164 Å²	164	143.2 Å²	143.2	86%	0.859	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	1.6	174.5	-106.2	94.3	0	0	0	114.8
247	R	47	Very low	41.7	Very low	200 Å²	200	141 Å²	141	76%	0.755	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-1	-177.2	-112.4	179.1	-177.2	148.2	0.9	115.4	F245	F245-R247 VanDerWaalsContact C-N 3.32Å; F245-R247 PolarHBondContact O-N 2.78Å
248	N	46	Very low	40.9	Very low	148 Å²	148	144.1 Å²	144.1	79%	0.791	78%	0.775	S	S	*	*	S	Bend	trans	-120.5	30.1	-174	-88.8	0.3	0	0	0	115.6
249	T	43.8	Very low	40	Very low	124 Å²	124	139.7 Å²	139.7	76%	0.761	78%	0.778	S	S	*	*	S	Bend	trans	-136.8	19.6	170.8	-29.1	0	0	0	0	114.3
250	I	47.4	Very low	39.1	Very low	171 Å²	171	136.2 Å²	136.2	88%	0.877	78%	0.783	S	S	*	*	S	Bend	trans	-142.6	72.7	167.9	-52	179.2	0	0	0	109.2
251	A	38.2	Very low	38.1	Very low	94 Å²	94	136.8 Å²	136.8	78%	0.777	80%	0.797	S	S	*	*			trans	-166.2	50.9	159.5	0	0	0	0	0	112.5
252	E	37.4	Very low	38.4	Very low	203 Å²	203	132.8 Å²	132.8	95%	0.949	79%	0.79	S	S	*	*			trans	-130.1	74.6	146.2	-79.1	-162.6	168.2	0	0	108.9
253	C	35	Very low	37.2	Very low	115 Å²	115	131.2 Å²	131.2	78%	0.777	79%	0.792	S	S	*	*			trans	-122.1	112.8	155.1	-117.8	0	0	0	0	105.9
254	L	32	Very low	36.3	Very low	171 Å²	171	134.4 Å²	134.4	90%	0.895	81%	0.805	S	S	*	*				171.9	151.4	110	-94	158	0	0	0	114.4
255	A	28.4	Very low	36.5	Very low	89 Å²	89	134.2 Å²	134.2	74%	0.736	81%	0.81	S	S	*	*			trans	95.3	114.9	159.6	0	0	0	0	0	114.2
256	C	27.8	Very low	35.9	Very low	133 Å²	133	132 Å²	132	90%	0.899	81%	0.811	S	S	*	*			cis	-153	156.8	21.4	-76.8	0	0	0	0	106.7
257	G	26.3	Very low	35.6	Very low	70 Å²	70	129.9 Å²	129.9	72%	0.722	81%	0.807	S	S	*	*			cis	130	110	34.5	0	0	0	0	0	108.4
258	L	28.2	Very low	34.8	Very low	184 Å²	184	123.9 Å²	123.9	96%	0.963	81%	0.807	S	S	*	*			trans	58	119.1	150.3	-64.3	163.3	0	0	0	122.2
259	G	28.3	Very low	34.3	Very low	79 Å²	79	123 Å²	123	81%	0.814	81%	0.81	S	S	*	*				111	123.3	115.6	0	0	0	0	0	120.1
260	G	25.6	Very low	33.7	Very low	82 Å²	82	122.3 Å²	122.3	85%	0.845	81%	0.81	S	S	*	*			trans	96.7	115.2	135.7	0	0	0	0	0	119.8
261	S	31.8	Very low	33.5	Very low	117 Å²	117	118.9 Å²	118.9	82%	0.818	80%	0.799	S	S	*	*			trans	-75.2	169.4	149.9	-152.5	0	0	0	0	109.3
262	P	50.1	Low	33.1	Very low	103 Å²	103	122.3 Å²	122.3	67%	0.669	80%	0.799	S	S	*	*			cis	-142.1	-172.3	10.2	30.9	-4.6	0	0	0	116.1
263	T	26.2	Very low	32.8	Very low	134 Å²	134	120 Å²	120	82%	0.822	79%	0.788	S	S	*	*			trans	117	122.1	148.6	68.1	0	0	0	0	121.8
264	N	26.3	Very low	32.6	Very low	155 Å²	155	121.3 Å²	121.3	83%	0.829	79%	0.792	S	S	*	*			trans	-27.2	-178.5	156.5	-78.6	-20.6	0	0	0	120.2
265	P	50.1	Low	32.5	Very low	104 Å²	104	119 Å²	119	68%	0.675	79%	0.785	S	S	*	*			cis	-146.3	-177.4	-40.9	42.4	-24	0	0	0	116.6
266	V	31.1	Very low	32.8	Very low	132 Å²	132	121.9 Å²	121.9	80%	0.8	79%	0.786	S	S	*	*			trans	76.9	155.1	150.6	175	0	0	0	0	117.6
267	P	40.8	Very low	33.5	Very low	119 Å²	119	120.7 Å²	120.7	77%	0.773	78%	0.777	S	S	*	*			cis	-133.3	150.6	30	33.1	-9.6	0	0	0	119.5
268	G	30.1	Very low	33.8	Very low	74 Å²	74	121.9 Å²	121.9	76%	0.763	77%	0.774	S	S	*	*				102.7	154.9	95.4	0	0	0	0	0	111.4
269	P	35.8	Very low	33.9	Very low	131 Å²	131	121.2 Å²	121.2	85%	0.851	77%	0.766	S	S	*	*			cis	-136.9	-179.5	23.9	37.6	-15.2	0	0	0	117.6
270	S	31	Very low	34.5	Very low	109 Å²	109	124.2 Å²	124.2	76%	0.762	76%	0.763	S	S	*	*			trans	-73.2	-172	-177.7	54.9	0	0	0	0	115.7
271	P	43.9	Very low	35.8	Very low	99 Å²	99	126.7 Å²	126.7	64%	0.643	76%	0.761	S	S	*	*			cis	-148.2	168.2	16.7	39.2	-15.5	0	0	0	121
272	E	29.1	Very low	36.6	Very low	165 Å²	165	124.6 Å²	124.6	77%	0.771	76%	0.758	S	S	*	*			trans	57.7	148.7	142.7	-67.8	177.3	164.5	0	0	121.5
273	Q	30.1	Very low	36.9	Very low	156 Å²	156	121.1 Å²	121.1	73%	0.729	74%	0.736	S	S	*	*			cis	-168.7	161.2	-4.2	-108	173.4	25.9	0	0	107.1
274	V	30.8	Very low	38.7	Very low	142 Å²	142	118.4 Å²	118.4	86%	0.861	72%	0.721	S	S	*	*			trans	151.2	141.1	136	171.1	0	0	0	0	112.4
275	V	31.5	Very low	40.3	Very low	122 Å²	122	115.8 Å²	115.8	74%	0.739	71%	0.712	S	S	*	*			trans	-95.4	134.4	-161.3	170.6	0	0	0	0	113.5
276	I	33.8	Very low	41.1	Very low	149 Å²	149	114.1 Å²	114.1	76%	0.764	71%	0.714	S	S	*	*			trans	23.6	136.1	134.4	-44.7	179.2	0	0	0	117
277	P	42.8	Very low	43.1	Very low	109 Å²	109	109 Å²	109	71%	0.708	68%	0.683	S	S	*	*				-155.5	157.8	59.7	42.1	-19.3	0	0	0	123.2
278	S	31.6	Very low	44.8	Very low	95 Å²	95	103.7 Å²	103.7	66%	0.664	65%	0.649	S	S	*	*			trans	65.6	118	137.3	65.7	0	0	0	0	121.2
279	H	31.8	Very low	47	Very low	169 Å²	169	103.5 Å²	103.5	78%	0.782	63%	0.627	S	S	*	*				170.3	137	91.1	-122.6	-90.1	0	0	0	111.3
280	L	41.1	Very low	48.9	Very low	143 Å²	143	103 Å²	103	75%	0.749	61%	0.608	S	S	*	*			trans	-8.1	118.1	161.5	-74.4	128.3	0	0	0	120
281	T	51.5	Low	50.7	Low	133 Å²	133	103.3 Å²	103.3	82%	0.816	60%	0.598	S	S	*	*				169.5	119.7	115	34.8	0	0	0	0	110.4
282	G	48.2	Very low	52.1	Low	73 Å²	73	105.2 Å²	105.2	75%	0.753	60%	0.602	S	S	*	*			trans	-163.5	145.3	179.3	0	0	0	0	0	114.9
283	C	57.8	Low	54.1	Low	30 Å²	30	98.1 Å²	98.1	20%	0.203	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-58	145.8	-172.2	-56.5	0	0	0	0	115	C294 F302	C283-C294 HydrophobicContact CB-CB 3.61Å; C283-C294 WeakPolarHBondContact CB-SG 3.32Å; C283-C294 WeakPolarHBondContact SG-CB 3.39Å; C283-C294 CovalentContact SG-SG 2.03Å; C283-C294 PolarHBondContact SG-SG 3.2Å; C283-F302 WeakPolarHBondContact SG-CB 3.33Å
284	P	62.7	Low	56.1	Low	77 Å²	77	91.8 Å²	91.8	50%	0.5	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-61.3	150.5	174.6	-17.7	29.2	0	0	0	113.4	T287	P284-T287 WeakPolarHBondContact O-CB 3.46Å; P284-T287 PolarHBondContact O-OG1 2.89Å
285	P	61.6	Low	58.2	Low	101 Å²	101	89.5 Å²	89.5	66%	0.656	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	139.7	174.7	-17.2	28.7	0	0	0	113.2
286	G	66.4	Low	59.8	Low	69 Å²	69	87.6 Å²	87.6	71%	0.711	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	9	178.7	0	0	0	0	0	115.6
287	T	72.3	Confident	61.1	Low	23 Å²	23	83.1 Å²	83.1	14%	0.141	50%	0.496	C	S	.	.	S	Bend	trans	-76.7	-29.8	-177.3	-58.3	0	0	0	0	113.8	P284 F302 C304	P284-T287 WeakPolarHBondContact O-CB 3.46Å; P284-T287 PolarHBondContact O-OG1 2.89Å; T287-F302 HydrophobicContact CG2-CD1 4.07Å; T287-F302 HydrophobicContact CG2-CD2 3.19Å; T287-F302 HydrophobicContact CG2-CE1 3.84Å; T287-F302 HydrophobicContact CG2-CE2 2.94Å; T287-F302 HydrophobicContact CG2-CG 3.78Å; T287-F302 HydrophobicContact CG2-CZ 3.29Å; T287-C304 PolarHBondContact O-SG 3.22Å
288	C	75.9	Confident	61.9	Low	8 Å²	8	88 Å²	88	5%	0.054	51%	0.509	C	S	.	.	S	Bend	trans	-128.3	160.9	176.8	-56.2	0	0	0	0	109.6	R290 M293 C304	C288-R290 PolarHBondContact O-N 3.25Å; C288-R290 VanDerWaalsContact O-N 3.1Å; C288-M293 HydrophobicContact CB-CB 4.29Å; C288-C304 WeakPolarHBondContact CA-SG 3.09Å; C288-C304 HydrophobicContact CB-CB 3.69Å; C288-C304 WeakPolarHBondContact CB-SG 3.21Å; C288-C304 WeakPolarHBondContact SG-CA 3.26Å; C288-C304 WeakPolarHBondContact SG-CB 3.33Å; C288-C304 CovalentContact SG-SG 2.02Å; C288-C304 PolarHBondContact SG-SG 3.09Å
289	F	76.7	Confident	63.2	Low	70 Å²	70	88.6 Å²	88.6	31%	0.307	51%	0.514	S	S	.	.	S	Bend	trans	-49.3	-41	-177.3	178.4	-110	0	0	0	113.5	M293 P308 Y311 G315 C318	F289-M293 HydrophobicContact CB-SD 4.47Å; F289-M293 HydrophobicContact CD1-SD 4.41Å; F289-P308 HydrophobicContact CD1-CG 3.97Å; F289-P308 HydrophobicContact CE1-CG 4.06Å; F289-Y311 HydrophobicContact CE1-CD1 4.36Å; F289-Y311 HydrophobicContact CE1-CD2 4.29Å; F289-Y311 HydrophobicContact CE1-CE2 4.41Å; F289-Y311 HydrophobicContact CE1-CG 4.28Å; F289-Y311 AromaticContact CZ-CD1 3.87Å; F289-Y311 HydrophobicContact CZ-CD1 3.87Å; F289-Y311 AromaticContact CZ-CE1 3.84Å; F289-Y311 HydrophobicContact CZ-CE1 3.84Å; F289-Y311 HydrophobicContact CZ-CE2 4.45Å; F289-Y311 HydrophobicContact CZ-CG 4.24Å; F289-G315 PolarHBondContact N-O 2.58Å; F289-C318 HydrophobicContact CB-CB 4.11Å; F289-C318 VanDerWaalsContact CB-SG 3.52Å; F289-C318 HydrophobicContact CD1-CB 3.81Å; F289-C318 HydrophobicContact CD2-CB 3.58Å; F289-C318 HydrophobicContact CE1-CB 4.04Å; F289-C318 HydrophobicContact CE2-CB 3.81Å; F289-C318 WeakPolarHBondContact CE2-O 3.43Å; F289-C318 HydrophobicContact CG-CB 3.57Å; F289-C318 HydrophobicContact CZ-CB 4.03Å
290	R	76.6	Confident	64.6	Low	121 Å²	121	84.3 Å²	84.3	46%	0.457	52%	0.515	S	S	.	.	S	Bend	trans	-125.1	143.1	162.8	-62.7	-177.9	178	-177.6	0.6	109.7	C288 N292 M293	C288-R290 PolarHBondContact O-N 3.25Å; C288-R290 VanDerWaalsContact O-N 3.1Å; R290-N292 WeakPolarHBondContact CB-OD1 3.49Å; R290-N292 PolarHBondContact O-N 3.41Å; R290-M293 HydrophobicContact CB-CG 4.08Å; R290-M293 HydrophobicContact CB-SD 3.87Å; R290-M293 HydrophobicContact CG-SD 4.34Å; R290-M293 VanDerWaalsContact O-CB 3.26Å; R290-M293 WeakPolarHBondContact O-CB 3.48Å; R290-M293 PolarHBondContact O-N 2.9Å
291	Q	68.3	Low	65.8	Low	116 Å²	116	79.4 Å²	79.4	54%	0.542	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-67.9	-24.4	-171.4	-162.5	156.8	-24.3	0	0	113.7	M293	Q291-M293 PolarHBondContact O-N 2.7Å
292	N	72.6	Confident	66.6	Low	139 Å²	139	78.3 Å²	78.3	74%	0.743	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-74.7	-6.3	173	65.8	-21.8	0	0	0	113.9	R290	R290-N292 WeakPolarHBondContact CB-OD1 3.49Å; R290-N292 PolarHBondContact O-N 3.41Å
293	M	73.1	Confident	67.9	Low	16 Å²	16	81.3 Å²	81.3	8%	0.079	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-90.2	-2.5	177	-63.3	174.6	53.7	0	0	113	C288 F289 R290 Q291 I295 A305 P306 P308	C288-M293 HydrophobicContact CB-CB 4.29Å; F289-M293 HydrophobicContact CB-SD 4.47Å; F289-M293 HydrophobicContact CD1-SD 4.41Å; R290-M293 HydrophobicContact CB-CG 4.08Å; R290-M293 HydrophobicContact CB-SD 3.87Å; R290-M293 HydrophobicContact CG-SD 4.34Å; R290-M293 VanDerWaalsContact O-CB 3.26Å; R290-M293 WeakPolarHBondContact O-CB 3.48Å; R290-M293 PolarHBondContact O-N 2.9Å; Q291-M293 PolarHBondContact O-N 2.7Å; M293-I295 PolarHBondContact O-N 3.24Å; M293-A305 HydrophobicContact CB-CB 3.98Å; M293-A305 HydrophobicContact CE-CB 4.29Å; M293-A305 WeakPolarHBondContact CE-O 3.14Å; M293-A305 WeakPolarHBondContact O-CB 3.4Å; M293-A305 PolarHBondContact O-N 3.39Å; M293-P306 WeakPolarHBondContact CE-O 3.45Å; M293-P308 HydrophobicContact SD-CG 3.74Å
294	C	72.1	Confident	68.9	Low	23 Å²	23	80.8 Å²	80.8	16%	0.155	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.6	-178.8	-159	0	0	0	0	111.6	C283 F302	C283-C294 HydrophobicContact CB-CB 3.61Å; C283-C294 WeakPolarHBondContact CB-SG 3.32Å; C283-C294 WeakPolarHBondContact SG-CB 3.39Å; C283-C294 CovalentContact SG-SG 2.03Å; C283-C294 PolarHBondContact SG-SG 3.2Å; C294-F302 VanDerWaalsContact SG-CB 3.59Å
295	I	74.4	Confident	69.5	Low	94 Å²	94	78.1 Å²	78.1	48%	0.482	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	113.9	177.6	-52.7	173	0	0	0	107.9	M293 Q303 A305	M293-I295 PolarHBondContact O-N 3.24Å; I295-Q303 WeakPolarHBondContact CB-O 3.13Å; I295-Q303 PolarHBondContact N-O 3.36Å; I295-Q303 PolarHBondContact O-N 2.71Å; I295-A305 HydrophobicContact CD1-CB 4.07Å; I295-A305 HydrophobicContact CG1-CB 4.5Å
296	P	64.6	Low	70.4	Confident	82 Å²	82	78.7 Å²	78.7	53%	0.532	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132	175.6	26	-30.2	0	0	0	110.4
297	S	61.3	Low	71.3	Confident	54 Å²	54	76.3 Å²	76.3	38%	0.378	43%	0.434	S	S	.	.			trans	-97.5	140.5	178.1	-175	0	0	0	0	110.9	S299 G300 G301	S297-S299 PolarHBondContact O-N 2.84Å; S297-S299 PolarHBondContact OG-OG 2.8Å; S297-G300 PolarHBondContact O-N 3.15Å; S297-G300 VanDerWaalsContact O-N 3.07Å; S297-G301 WeakPolarHBondContact CB-O 3.43Å; S297-G301 PolarHBondContact N-O 3.11Å
298	E	60.2	Low	71.7	Confident	211 Å²	211	76.7 Å²	76.7	99%	0.986	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-12.4	-177.9	-66	-170.2	162.3	0	0	114.2
299	S	58.6	Low	71.8	Confident	109 Å²	109	82.1 Å²	82.1	76%	0.762	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	9	177.1	51.8	0	0	0	0	114.3	S297	S297-S299 PolarHBondContact O-N 2.84Å; S297-S299 PolarHBondContact OG-OG 2.8Å
300	G	60	Low	71.9	Confident	79 Å²	79	79 Å²	79	81%	0.814	45%	0.453	S	S	*	.	S	Bend	trans	85.5	10.6	177.1	0	0	0	0	0	114.8	S297	S297-G300 PolarHBondContact O-N 3.15Å; S297-G300 VanDerWaalsContact O-N 3.07Å
301	G	67.3	Low	72.2	Confident	39 Å²	39	75.2 Å²	75.2	40%	0.402	44%	0.439	S	S	.	.			trans	-103.9	176.7	170.4	0	0	0	0	0	112.9	S297	S297-G301 WeakPolarHBondContact CB-O 3.43Å; S297-G301 PolarHBondContact N-O 3.11Å
302	F	67.6	Low	72.8	Confident	111 Å²	111	73.8 Å²	73.8	49%	0.487	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.1	170.4	55.4	-97.5	0	0	0	109.6	C283 T287 C294	C283-F302 WeakPolarHBondContact SG-CB 3.33Å; T287-F302 HydrophobicContact CG2-CD1 4.07Å; T287-F302 HydrophobicContact CG2-CD2 3.19Å; T287-F302 HydrophobicContact CG2-CE1 3.84Å; T287-F302 HydrophobicContact CG2-CE2 2.94Å; T287-F302 HydrophobicContact CG2-CG 3.78Å; T287-F302 HydrophobicContact CG2-CZ 3.29Å; C294-F302 VanDerWaalsContact SG-CB 3.59Å
303	Q	75.9	Confident	73.2	Confident	136 Å²	136	69.4 Å²	69.4	64%	0.636	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.9	172.8	-175.7	173.8	-5.9	0	0	108.6	I295	I295-Q303 WeakPolarHBondContact CB-O 3.13Å; I295-Q303 PolarHBondContact N-O 3.36Å; I295-Q303 PolarHBondContact O-N 2.71Å
304	C	78.4	Confident	73.5	Confident	18 Å²	18	74.2 Å²	74.2	12%	0.122	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	135.7	173.4	-59.4	0	0	0	0	109.7	T287 C288 G315 V316	T287-C304 PolarHBondContact O-SG 3.22Å; C288-C304 WeakPolarHBondContact CA-SG 3.09Å; C288-C304 HydrophobicContact CB-CB 3.69Å; C288-C304 WeakPolarHBondContact CB-SG 3.21Å; C288-C304 WeakPolarHBondContact SG-CA 3.26Å; C288-C304 WeakPolarHBondContact SG-CB 3.33Å; C288-C304 CovalentContact SG-SG 2.02Å; C288-C304 PolarHBondContact SG-SG 3.09Å; C304-G315 WeakPolarHBondContact CB-O 3.23Å; C304-V316 HydrophobicContact CB-CG2 4.41Å; C304-V316 VanDerWaalsContact SG-CG2 3.6Å
305	A	75.9	Confident	73.6	Confident	22 Å²	22	73.1 Å²	73.1	18%	0.182	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-61.5	157.9	169.1	0	0	0	0	0	110	M293 I295 G315	M293-A305 HydrophobicContact CB-CB 3.98Å; M293-A305 HydrophobicContact CE-CB 4.29Å; M293-A305 WeakPolarHBondContact CE-O 3.14Å; M293-A305 WeakPolarHBondContact O-CB 3.4Å; M293-A305 PolarHBondContact O-N 3.39Å; I295-A305 HydrophobicContact CD1-CB 4.07Å; I295-A305 HydrophobicContact CG1-CB 4.5Å; A305-G315 WeakPolarHBondContact O-CA 3.04Å
306	P	81.3	Confident	73.7	Confident	112 Å²	112	72.3 Å²	72.3	73%	0.727	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-53.6	148.2	173.8	-23.9	33.8	0	0	0	112	M293	M293-P306 WeakPolarHBondContact CE-O 3.45Å
307	C	83.3	Confident	74.3	Confident	20 Å²	20	74.2 Å²	74.2	14%	0.135	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-48.9	143.8	178	-67.5	0	0	0	0	112.3	Y311 G313 C318	C307-Y311 WeakPolarHBondContact CB-O 3.44Å; C307-G313 VanDerWaalsContact SG-C 3.56Å; C307-G313 PolarHBondContact SG-N 2.68Å; C307-G313 VanDerWaalsContact SG-N 3.45Å; C307-C318 VanDerWaalsContact CA-SG 3.53Å; C307-C318 HydrophobicContact CB-CB 3.8Å; C307-C318 WeakPolarHBondContact CB-SG 3.35Å; C307-C318 WeakPolarHBondContact SG-CB 3.34Å; C307-C318 CovalentContact SG-SG 2.03Å; C307-C318 PolarHBondContact SG-SG 3.25Å
308	P	81.8	Confident	75.3	Confident	30 Å²	30	72 Å²	72	20%	0.195	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-58.2	153.9	175.8	-19	31.5	0	0	0	111	F289 M293 G310 Y311	F289-P308 HydrophobicContact CD1-CG 3.97Å; F289-P308 HydrophobicContact CE1-CG 4.06Å; M293-P308 HydrophobicContact SD-CG 3.74Å; P308-G310 PolarHBondContact O-N 2.8Å; P308-Y311 HydrophobicContact CB-CD2 4.44Å; P308-Y311 PolarHBondContact O-N 2.61Å
309	D	77.8	Confident	76.4	Confident	123 Å²	123	66.2 Å²	66.2	66%	0.658	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	135.2	174.3	-67.5	-34.2	0	0	0	110.6	V359	D309-V359 VanDerWaalsContact C-CG1 3.49Å; D309-V359 HydrophobicContact CB-CG1 4.27Å; D309-V359 WeakPolarHBondContact O-CG1 3.31Å
310	G	78.6	Confident	77.7	Confident	4 Å²	4	63.7 Å²	63.7	4%	0.041	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	-3.7	-172.1	0	0	0	0	0	114.9	P308 V321 E323	P308-G310 PolarHBondContact O-N 2.8Å; G310-V321 PolarHBondContact O-N 2.92Å; G310-E323 VanDerWaalsContact CA-OE1 3.27Å; G310-E323 WeakPolarHBondContact CA-OE1 3.17Å
311	Y	82.3	Confident	78.9	Confident	42 Å²	42	61.1 Å²	61.1	17%	0.165	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.5	173.5	-60.5	-96.7	0	0	0	112.2	F289 C307 P308 C318 D319 D320 P340	F289-Y311 HydrophobicContact CE1-CD1 4.36Å; F289-Y311 HydrophobicContact CE1-CD2 4.29Å; F289-Y311 HydrophobicContact CE1-CE2 4.41Å; F289-Y311 HydrophobicContact CE1-CG 4.28Å; F289-Y311 AromaticContact CZ-CD1 3.87Å; F289-Y311 HydrophobicContact CZ-CD1 3.87Å; F289-Y311 AromaticContact CZ-CE1 3.84Å; F289-Y311 HydrophobicContact CZ-CE1 3.84Å; F289-Y311 HydrophobicContact CZ-CE2 4.45Å; F289-Y311 HydrophobicContact CZ-CG 4.24Å; C307-Y311 WeakPolarHBondContact CB-O 3.44Å; P308-Y311 HydrophobicContact CB-CD2 4.44Å; P308-Y311 PolarHBondContact O-N 2.61Å; Y311-C318 HydrophobicContact CD1-CB 4.45Å; Y311-C318 HydrophobicContact CG-CB 4.4Å; Y311-D319 CarbonylContact C-O 3.49Å; Y311-D319 WeakPolarHBondContact CA-O 3.34Å; Y311-D319 WeakPolarHBondContact CB-O 3.25Å; Y311-D320 HydrophobicContact CD1-CB 4.4Å; Y311-D320 HydrophobicContact CE1-CB 4.25Å; Y311-P340 HydrophobicContact CE2-CB 3.7Å; Y311-P340 HydrophobicContact CE2-CG 4.49Å
312	T	81	Confident	79.8	Confident	85 Å²	85	62.7 Å²	62.7	52%	0.521	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.2	177.2	-171.1	0	0	0	0	110.6	C318 D319 V321	T312-C318 CarbonylContact O-C 3.57Å; T312-C318 WeakPolarHBondContact O-CA 3.14Å; T312-D319 PolarHBondContact N-O 3.09Å; T312-D319 PolarHBondContact O-N 3.02Å; T312-V321 HydrophobicContact CG2-CG2 3.67Å
313	G	82.3	Confident	80.9	Confident	48 Å²	48	57.4 Å²	57.4	50%	0.495	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150.7	-166.4	-178.3	0	0	0	0	0	113.6	C307 G315 H317	C307-G313 VanDerWaalsContact SG-C 3.56Å; C307-G313 PolarHBondContact SG-N 2.68Å; C307-G313 VanDerWaalsContact SG-N 3.45Å; G313-G315 VanDerWaalsContact C-N 3.34Å; G313-H317 VanDerWaalsContact CA-O 3.32Å; G313-H317 WeakPolarHBondContact CA-O 3.09Å
314	D	78	Confident	81.4	Confident	116 Å²	116	51.9 Å²	51.9	62%	0.62	30%	0.304	S	S	*	.	S	Bend	trans	-92.1	9.1	-172.7	66.2	0.6	0	0	0	113.9	V316 H317	D314-V316 PolarHBondContact O-N 2.87Å; D314-V316 PolarHBondContact OD1-N 3.24Å; D314-H317 PolarHBondContact N-O 2.67Å; D314-H317 PolarHBondContact OD1-N 2.69Å
315	G	74.6	Confident	81.8	Confident	0 Å²	0	55 Å²	55	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	82.5	-12.4	-178.1	0	0	0	0	0	114.1	F289 C304 A305 G313	F289-G315 PolarHBondContact N-O 2.58Å; C304-G315 WeakPolarHBondContact CB-O 3.23Å; A305-G315 WeakPolarHBondContact O-CA 3.04Å; G313-G315 VanDerWaalsContact C-N 3.34Å
316	V	76.1	Confident	82.4	Confident	78 Å²	78	57.6 Å²	57.6	47%	0.473	33%	0.334	S	S	.	.	S	Bend	trans	-97.9	-49.5	170.4	-176.9	0	0	0	0	109.6	C304 D314	C304-V316 HydrophobicContact CB-CG2 4.41Å; C304-V316 VanDerWaalsContact SG-CG2 3.6Å; D314-V316 PolarHBondContact O-N 2.87Å; D314-V316 PolarHBondContact OD1-N 3.24Å
317	H	78.4	Confident	82.6	Confident	122 Å²	122	58 Å²	58	57%	0.565	33%	0.33	S	S	*	.	S	Bend	trans	-110.3	115.7	171.7	-162.8	62.3	0	0	0	108.7	G313 D314 D319	G313-H317 VanDerWaalsContact CA-O 3.32Å; G313-H317 WeakPolarHBondContact CA-O 3.09Å; D314-H317 PolarHBondContact N-O 2.67Å; D314-H317 PolarHBondContact OD1-N 2.69Å; H317-D319 IonicContact CD2-OD1 2.59Å; H317-D319 IonicContact CD2-OD2 3.61Å; H317-D319 IonicContact NE2-OD1 2.7Å; H317-D319 PolarHBondContact NE2-OD1 2.85Å; H317-D319 IonicContact NE2-OD2 3.06Å
318	C	82.6	Confident	82.8	Confident	7 Å²	7	57.1 Å²	57.1	5%	0.047	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.5	178.6	-62.6	0	0	0	0	108.5	F289 C307 Y311 T312	F289-C318 HydrophobicContact CB-CB 4.11Å; F289-C318 VanDerWaalsContact CB-SG 3.52Å; F289-C318 HydrophobicContact CD1-CB 3.81Å; F289-C318 HydrophobicContact CD2-CB 3.58Å; F289-C318 HydrophobicContact CE1-CB 4.04Å; F289-C318 HydrophobicContact CE2-CB 3.81Å; F289-C318 WeakPolarHBondContact CE2-O 3.43Å; F289-C318 HydrophobicContact CG-CB 3.57Å; F289-C318 HydrophobicContact CZ-CB 4.03Å; C307-C318 VanDerWaalsContact CA-SG 3.53Å; C307-C318 HydrophobicContact CB-CB 3.8Å; C307-C318 WeakPolarHBondContact CB-SG 3.35Å; C307-C318 WeakPolarHBondContact SG-CB 3.34Å; C307-C318 CovalentContact SG-SG 2.03Å; C307-C318 PolarHBondContact SG-SG 3.25Å; Y311-C318 HydrophobicContact CD1-CB 4.45Å; Y311-C318 HydrophobicContact CG-CB 4.4Å; T312-C318 CarbonylContact O-C 3.57Å; T312-C318 WeakPolarHBondContact O-CA 3.14Å
319	D	83.1	Confident	83.2	Confident	90 Å²	90	56.4 Å²	56.4	48%	0.481	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	147.4	176.4	-68.8	-45.7	0	0	0	110.1	Y311 T312 H317	Y311-D319 CarbonylContact C-O 3.49Å; Y311-D319 WeakPolarHBondContact CA-O 3.34Å; Y311-D319 WeakPolarHBondContact CB-O 3.25Å; T312-D319 PolarHBondContact N-O 3.09Å; T312-D319 PolarHBondContact O-N 3.02Å; H317-D319 IonicContact CD2-OD1 2.59Å; H317-D319 IonicContact CD2-OD2 3.61Å; H317-D319 IonicContact NE2-OD1 2.7Å; H317-D319 PolarHBondContact NE2-OD1 2.85Å; H317-D319 IonicContact NE2-OD2 3.06Å
320	D	85.5	Confident	83.7	Confident	55 Å²	55	53.2 Å²	53.2	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	135.8	178	-175.3	64.2	0	0	0	110.8	Y311 N337 A339	Y311-D320 HydrophobicContact CD1-CB 4.4Å; Y311-D320 HydrophobicContact CE1-CB 4.25Å; D320-N337 PolarHBondContact OD2-ND2 3.17Å; D320-A339 HydrophobicContact CB-CB 4.22Å; D320-A339 WeakPolarHBondContact OD1-CA 3.34Å; D320-A339 WeakPolarHBondContact OD1-CB 3.43Å
321	V	85.5	Confident	83.9	Confident	26 Å²	26	58.1 Å²	58.1	16%	0.158	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-93.4	120.7	176.4	176.8	0	0	0	0	108.4	G310 T312 E323 V361	G310-V321 PolarHBondContact O-N 2.92Å; T312-V321 HydrophobicContact CG2-CG2 3.67Å; V321-E323 HydrophobicContact CG1-CG 4.4Å; V321-E323 PolarHBondContact O-N 3.12Å; V321-V361 HydrophobicContact CG1-CG2 3.51Å
322	D	86.6	Confident	83.7	Confident	72 Å²	72	60 Å²	60	39%	0.385	36%	0.363	S	S	.	.			trans	-71.3	94	173.1	-176.2	-2.4	0	0	0	111.1	C324 S325 N337	D322-C324 PolarHBondContact O-N 3.42Å; D322-C324 VanDerWaalsContact OD1-CB 3.25Å; D322-C324 WeakPolarHBondContact OD1-CB 3.16Å; D322-C324 PolarHBondContact OD1-N 2.8Å; D322-S325 WeakPolarHBondContact O-CB 3.2Å; D322-S325 PolarHBondContact O-N 3.06Å; D322-N337 WeakPolarHBondContact CA-OD1 3.07Å; D322-N337 WeakPolarHBondContact OD1-CB 3.46Å
323	E	89.1	Confident	84	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-72.9	-16.8	-179.8	-60.3	102.8	154.7	0	0	113.3	G310 V321 S325 F326 N337 G341 F342 G360 A364	G310-E323 VanDerWaalsContact CA-OE1 3.27Å; G310-E323 WeakPolarHBondContact CA-OE1 3.17Å; V321-E323 HydrophobicContact CG1-CG 4.4Å; V321-E323 PolarHBondContact O-N 3.12Å; E323-S325 PolarHBondContact O-N 2.99Å; E323-F326 PolarHBondContact O-N 3.04Å; E323-F326 VanDerWaalsContact O-N 3.08Å; E323-N337 PolarHBondContact N-OD1 3.17Å; E323-N337 PolarHBondContact OE2-OD1 3.41Å; E323-G341 WeakPolarHBondContact OE1-CA 3.3Å; E323-G341 WeakPolarHBondContact OE2-CA 3.49Å; E323-F342 HydrophobicContact CB-CB 4.17Å; E323-F342 HydrophobicContact CB-CD1 3.69Å; E323-F342 HydrophobicContact CB-CG 4.16Å; E323-F342 HydrophobicContact CG-CD1 4.4Å; E323-G360 WeakPolarHBondContact OE1-CA 3.48Å; E323-G360 PolarHBondContact OE1-N 3.2Å; E323-A364 HydrophobicContact CB-CB 3.77Å; E323-A364 HydrophobicContact CG-CB 4.34Å
324	C	87.4	Confident	84.2	Confident	19 Å²	19	61.6 Å²	61.6	13%	0.128	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-64.5	-23.4	175.5	-71.8	0	0	0	0	112.7	D322 F326 N327 C335 V336 N337	D322-C324 PolarHBondContact O-N 3.42Å; D322-C324 VanDerWaalsContact OD1-CB 3.25Å; D322-C324 WeakPolarHBondContact OD1-CB 3.16Å; D322-C324 PolarHBondContact OD1-N 2.8Å; C324-F326 PolarHBondContact O-N 2.76Å; C324-N327 PolarHBondContact O-N 3.38Å; C324-C335 WeakPolarHBondContact CA-SG 3.31Å; C324-C335 HydrophobicContact CB-CB 3.67Å; C324-C335 WeakPolarHBondContact CB-SG 3.46Å; C324-C335 WeakPolarHBondContact SG-CB 3.26Å; C324-C335 CovalentContact SG-SG 2.04Å; C324-C335 PolarHBondContact SG-SG 3.47Å; C324-V336 PolarHBondContact SG-N 2.65Å; C324-N337 PolarHBondContact SG-N 3.46Å; C324-N337 VanDerWaalsContact SG-N 3.37Å
325	S	87.3	Confident	84.8	Confident	83 Å²	83	57.8 Å²	57.8	58%	0.58	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-60.1	-16.1	173	-69.1	0	0	0	0	113.7	D322 E323	D322-S325 WeakPolarHBondContact O-CB 3.2Å; D322-S325 PolarHBondContact O-N 3.06Å; E323-S325 PolarHBondContact O-N 2.99Å
326	F	87	Confident	85.5	Confident	78 Å²	78	59.1 Å²	59.1	34%	0.342	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-95.5	8.1	177.5	-62.3	-77	0	0	0	114.1	E323 C324 V361 K365	E323-F326 PolarHBondContact O-N 3.04Å; E323-F326 VanDerWaalsContact O-N 3.08Å; C324-F326 PolarHBondContact O-N 2.76Å; F326-V361 HydrophobicContact CD2-CG1 4Å; F326-V361 HydrophobicContact CE1-CG1 4.16Å; F326-V361 HydrophobicContact CE2-CB 4.36Å; F326-V361 HydrophobicContact CE2-CG1 3.6Å; F326-V361 HydrophobicContact CE2-CG2 3.92Å; F326-V361 HydrophobicContact CG-CG1 4.44Å; F326-V361 HydrophobicContact CZ-CG1 3.68Å; F326-V361 HydrophobicContact CZ-CG2 4.5Å; F326-K365 HydrophobicContact CB-CG 4.37Å; F326-K365 HydrophobicContact CD1-CD 4.45Å; F326-K365 HydrophobicContact CD1-CG 4.31Å; F326-K365 HydrophobicContact CG-CG 4.42Å
327	N	87.3	Confident	86.1	Confident	121 Å²	121	58.1 Å²	58.1	65%	0.647	33%	0.329	S	S	*	.			trans	49.4	59.8	-179.3	-59.3	-34.8	0	0	0	113.5	C324 C329	C324-N327 PolarHBondContact O-N 3.38Å; N327-C329 VanDerWaalsContact C-N 3.35Å
328	P	87.5	Confident	86.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.314	C	S	.	.			trans	-74.9	-24	178.1	31.1	-35.1	0	0	0	112.9	F342 I356 A364 K368 Q369	P328-F342 HydrophobicContact CB-CD2 3.99Å; P328-F342 HydrophobicContact CB-CE1 4.26Å; P328-F342 HydrophobicContact CB-CE2 3.28Å; P328-F342 HydrophobicContact CB-CZ 3.43Å; P328-F342 VanDerWaalsContact CB-CZ 3.43Å; P328-F342 HydrophobicContact CG-CD1 4.47Å; P328-F342 HydrophobicContact CG-CD2 3.39Å; P328-F342 HydrophobicContact CG-CE1 4.35Å; P328-F342 HydrophobicContact CG-CE2 3.25Å; P328-F342 HydrophobicContact CG-CG 4.04Å; P328-F342 HydrophobicContact CG-CZ 3.77Å; P328-I356 HydrophobicContact CB-CD1 4.37Å; P328-I356 WeakPolarHBondContact O-CD1 3.48Å; P328-A364 HydrophobicContact CB-CB 4.23Å; P328-K368 CarbonylContact O-C 3.52Å; P328-K368 VanDerWaalsContact O-CA 3.23Å; P328-K368 WeakPolarHBondContact O-CA 3.41Å; P328-Q369 PolarHBondContact O-N 3.37Å
329	C	89.6	Confident	86.5	Confident	16 Å²	16	57.4 Å²	57.4	11%	0.108	34%	0.34	C	S	.	.	S	Bend	trans	-82.7	159.5	180	-48.4	0	0	0	0	112.9	N327 V333 C335 C344	N327-C329 VanDerWaalsContact C-N 3.35Å; C329-V333 HydrophobicContact CB-CB 4.2Å; C329-V333 HydrophobicContact CB-CG1 4.24Å; C329-C335 HydrophobicContact CB-CB 4.36Å; C329-C335 WeakPolarHBondContact SG-CA 3.5Å; C329-C335 WeakPolarHBondContact SG-CB 3.31Å; C329-C335 PolarHBondContact SG-SG 2.79Å; C329-C344 WeakPolarHBondContact CA-SG 3.36Å; C329-C344 HydrophobicContact CB-CB 3.74Å; C329-C344 WeakPolarHBondContact CB-SG 3.31Å; C329-C344 PolarHBondContact N-SG 3.07Å; C329-C344 WeakPolarHBondContact SG-CA 3.26Å; C329-C344 WeakPolarHBondContact SG-CB 3.31Å; C329-C344 CovalentContact SG-SG 2.01Å; C329-C344 PolarHBondContact SG-SG 3Å
330	F	88.1	Confident	86.3	Confident	55 Å²	55	55.8 Å²	55.8	24%	0.241	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-63.1	144.6	177.2	-175.9	-97.3	0	0	0	110	G332 V333 Q369 C371	F330-G332 PolarHBondContact O-N 3.24Å; F330-G332 VanDerWaalsContact O-N 3.17Å; F330-V333 HydrophobicContact CB-CB 4.43Å; F330-V333 HydrophobicContact CB-CG2 3.94Å; F330-V333 HydrophobicContact CD1-CG2 4.34Å; F330-V333 WeakPolarHBondContact O-CB 3.48Å; F330-V333 PolarHBondContact O-N 3.4Å; F330-Q369 HydrophobicContact CB-CB 4.28Å; F330-Q369 HydrophobicContact CB-CG 4.37Å; F330-C371 HydrophobicContact CB-CB 4.27Å; F330-C371 VanDerWaalsContact CB-SG 3.54Å; F330-C371 HydrophobicContact CD1-CB 3.87Å; F330-C371 HydrophobicContact CD2-CB 3.81Å; F330-C371 HydrophobicContact CE1-CB 4.12Å; F330-C371 HydrophobicContact CE2-CB 4.06Å; F330-C371 HydrophobicContact CG-CB 3.71Å; F330-C371 HydrophobicContact CZ-CB 4.2Å
331	P	82.4	Confident	86.4	Confident	107 Å²	107	53.1 Å²	53.1	70%	0.695	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	123.2	178.9	-26.8	35.8	0	0	0	112.1
332	G	78.3	Confident	86.7	Confident	82 Å²	82	52 Å²	52	85%	0.845	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-10.9	-176.1	0	0	0	0	0	115	F330	F330-G332 PolarHBondContact O-N 3.24Å; F330-G332 VanDerWaalsContact O-N 3.17Å
333	V	86.6	Confident	86.9	Confident	19 Å²	19	55.1 Å²	55.1	12%	0.115	32%	0.32	C	S	.	.	S	Bend	trans	-87.7	136.1	170.6	179	0	0	0	0	110.3	C329 F330 C335 C344 E345 P348	C329-V333 HydrophobicContact CB-CB 4.2Å; C329-V333 HydrophobicContact CB-CG1 4.24Å; F330-V333 HydrophobicContact CB-CB 4.43Å; F330-V333 HydrophobicContact CB-CG2 3.94Å; F330-V333 HydrophobicContact CD1-CG2 4.34Å; F330-V333 WeakPolarHBondContact O-CB 3.48Å; F330-V333 PolarHBondContact O-N 3.4Å; V333-C335 PolarHBondContact O-N 2.93Å; V333-C344 HydrophobicContact CG1-CB 4.46Å; V333-E345 HydrophobicContact CG1-CB 4.13Å; V333-E345 VanDerWaalsContact CG1-O 3.27Å; V333-E345 WeakPolarHBondContact CG1-O 3.45Å; V333-P348 HydrophobicContact CG2-CG 3.96Å
334	R	88.1	Confident	87	Confident	148 Å²	148	55.3 Å²	55.3	56%	0.558	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-73.7	125.3	179.5	-169	171.9	72.8	106.1	-8	110.9	E345	R334-E345 HydrophobicContact CB-CG 4.35Å; R334-E345 WeakPolarHBondContact CB-OE2 3.32Å; R334-E345 IonicContact CZ-OE1 3.19Å; R334-E345 IonicContact CZ-OE2 2.63Å; R334-E345 VanDerWaalsContact NE-CD 3.31Å; R334-E345 IonicContact NE-OE1 3.54Å; R334-E345 IonicContact NE-OE2 2.7Å; R334-E345 PolarHBondContact NE-OE2 3.47Å; R334-E345 VanDerWaalsContact NH2-CD 3.28Å; R334-E345 IonicContact NH2-OE1 3.62Å; R334-E345 PolarHBondContact NH2-OE1 3.23Å; R334-E345 IonicContact NH2-OE2 2.88Å; R334-E345 PolarHBondContact NH2-OE2 3.19Å; R334-E345 PolarHBondContact O-N 3.34Å; R334-E345 VanDerWaalsContact O-N 3.13Å
335	C	89.5	Confident	87.1	Confident	36 Å²	36	58 Å²	58	24%	0.243	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.5	169.4	-166.8	0	0	0	0	110.6	C324 C329 V333	C324-C335 WeakPolarHBondContact CA-SG 3.31Å; C324-C335 HydrophobicContact CB-CB 3.67Å; C324-C335 WeakPolarHBondContact CB-SG 3.46Å; C324-C335 WeakPolarHBondContact SG-CB 3.26Å; C324-C335 CovalentContact SG-SG 2.04Å; C324-C335 PolarHBondContact SG-SG 3.47Å; C329-C335 HydrophobicContact CB-CB 4.36Å; C329-C335 WeakPolarHBondContact SG-CA 3.5Å; C329-C335 WeakPolarHBondContact SG-CB 3.31Å; C329-C335 PolarHBondContact SG-SG 2.79Å; V333-C335 PolarHBondContact O-N 2.93Å
336	V	90.3	Very high	87.1	Confident	28 Å²	28	61.3 Å²	61.3	17%	0.17	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.1	175.7	-178	0	0	0	0	109	C324 F342 R343 E345	C324-V336 PolarHBondContact SG-N 2.65Å; V336-F342 WeakPolarHBondContact O-CA 3.31Å; V336-R343 HydrophobicContact CB-CG 3.99Å; V336-R343 PolarHBondContact N-O 3.29Å; V336-R343 PolarHBondContact O-N 3.39Å; V336-E345 HydrophobicContact CG2-CG 4.46Å
337	N	87.9	Confident	87.1	Confident	56 Å²	56	58.7 Å²	58.7	30%	0.299	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.6	172.7	-169.6	46.5	0	0	0	110.4	D320 D322 E323 C324 G341	D320-N337 PolarHBondContact OD2-ND2 3.17Å; D322-N337 WeakPolarHBondContact CA-OD1 3.07Å; D322-N337 WeakPolarHBondContact OD1-CB 3.46Å; E323-N337 PolarHBondContact N-OD1 3.17Å; E323-N337 PolarHBondContact OE2-OD1 3.41Å; C324-N337 PolarHBondContact SG-N 3.46Å; C324-N337 VanDerWaalsContact SG-N 3.37Å; N337-G341 PolarHBondContact OD1-O 3.38Å
338	T	85.9	Confident	87	Confident	42 Å²	42	55.2 Å²	55.2	26%	0.258	31%	0.311	S	S	.	.			trans	-131.2	149.9	-177.2	56.1	0	0	0	0	109.7	P340 G341 F342 R343	T338-P340 CarbonylContact O-C 3.47Å; T338-P340 WeakPolarHBondContact O-CA 3.19Å; T338-P340 PolarHBondContact OG1-O 3.46Å; T338-G341 CarbonylContact C-O 3.28Å; T338-G341 VanDerWaalsContact C-O 3.29Å; T338-G341 VanDerWaalsContact CA-O 3.28Å; T338-G341 WeakPolarHBondContact CA-O 3.28Å; T338-G341 PolarHBondContact N-O 3.19Å; T338-G341 CarbonylContact O-C 3.47Å; T338-G341 PolarHBondContact O-N 3.37Å; T338-G341 PolarHBondContact OG1-O 3.48Å; T338-F342 PolarHBondContact OG1-N 3.37Å; T338-R343 HydrophobicContact CG2-CG 4.32Å
339	A	83.1	Confident	86.7	Confident	72 Å²	72	62.3 Å²	62.3	60%	0.595	35%	0.354	S	S	*	.	S	Bend	trans	-109.8	99.8	176.6	0	0	0	0	0	109.8	D320	D320-A339 HydrophobicContact CB-CB 4.22Å; D320-A339 WeakPolarHBondContact OD1-CA 3.34Å; D320-A339 WeakPolarHBondContact OD1-CB 3.43Å
340	P	79.8	Confident	86.1	Confident	56 Å²	56	61.9 Å²	61.9	36%	0.364	35%	0.353	S	S	.	.	S	Bend	cis	-90.3	148.1	3.6	31.8	-30.2	0	0	0	116.1	Y311 T338 V359	Y311-P340 HydrophobicContact CE2-CB 3.7Å; Y311-P340 HydrophobicContact CE2-CG 4.49Å; T338-P340 CarbonylContact O-C 3.47Å; T338-P340 WeakPolarHBondContact O-CA 3.19Å; T338-P340 PolarHBondContact OG1-O 3.46Å; P340-V359 HydrophobicContact CB-CG1 3.86Å; P340-V359 HydrophobicContact CB-CG2 4.34Å; P340-V359 HydrophobicContact CG-CG2 4.49Å
341	G	88.1	Confident	86	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	98.7	-159.6	164.9	0	0	0	0	0	116.4	E323 N337 T338 G358	E323-G341 WeakPolarHBondContact OE1-CA 3.3Å; E323-G341 WeakPolarHBondContact OE2-CA 3.49Å; N337-G341 PolarHBondContact OD1-O 3.38Å; T338-G341 CarbonylContact C-O 3.28Å; T338-G341 VanDerWaalsContact C-O 3.29Å; T338-G341 VanDerWaalsContact CA-O 3.28Å; T338-G341 WeakPolarHBondContact CA-O 3.28Å; T338-G341 PolarHBondContact N-O 3.19Å; T338-G341 CarbonylContact O-C 3.47Å; T338-G341 PolarHBondContact O-N 3.37Å; T338-G341 PolarHBondContact OG1-O 3.48Å; G341-G358 CarbonylContact C-O 3.51Å; G341-G358 WeakPolarHBondContact CA-O 3.39Å
342	F	90.7	Very high	86	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.009	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	164.1	173.3	74.6	-76.5	0	0	0	111.2	E323 P328 V336 T338 I356 N357 G358 Y363 A364	E323-F342 HydrophobicContact CB-CB 4.17Å; E323-F342 HydrophobicContact CB-CD1 3.69Å; E323-F342 HydrophobicContact CB-CG 4.16Å; E323-F342 HydrophobicContact CG-CD1 4.4Å; P328-F342 HydrophobicContact CB-CD2 3.99Å; P328-F342 HydrophobicContact CB-CE1 4.26Å; P328-F342 HydrophobicContact CB-CE2 3.28Å; P328-F342 HydrophobicContact CB-CZ 3.43Å; P328-F342 VanDerWaalsContact CB-CZ 3.43Å; P328-F342 HydrophobicContact CG-CD1 4.47Å; P328-F342 HydrophobicContact CG-CD2 3.39Å; P328-F342 HydrophobicContact CG-CE1 4.35Å; P328-F342 HydrophobicContact CG-CE2 3.25Å; P328-F342 HydrophobicContact CG-CG 4.04Å; P328-F342 HydrophobicContact CG-CZ 3.77Å; V336-F342 WeakPolarHBondContact O-CA 3.31Å; T338-F342 PolarHBondContact OG1-N 3.37Å; F342-I356 HydrophobicContact CE2-CD1 3.82Å; F342-I356 HydrophobicContact CE2-CG1 4.19Å; F342-I356 HydrophobicContact CZ-CD1 4.12Å; F342-N357 VanDerWaalsContact O-CA 3.29Å; F342-N357 WeakPolarHBondContact O-CA 3.36Å; F342-G358 WeakPolarHBondContact CD1-O 3.38Å; F342-G358 PolarHBondContact N-O 3.2Å; F342-G358 PolarHBondContact O-N 3.34Å; F342-Y363 HydrophobicContact CE1-CD1 4.34Å; F342-A364 HydrophobicContact CD1-CB 4.05Å; F342-A364 HydrophobicContact CE1-CB 3.57Å; F342-A364 HydrophobicContact CZ-CB 4.17Å
343	R	90.9	Very high	86.3	Confident	137 Å²	137	60.3 Å²	60.3	52%	0.517	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143	165.7	68.3	-177.9	-175.9	-156.4	0.3	111.3	V336 T338 I356 N357	V336-R343 HydrophobicContact CB-CG 3.99Å; V336-R343 PolarHBondContact N-O 3.29Å; V336-R343 PolarHBondContact O-N 3.39Å; T338-R343 HydrophobicContact CG2-CG 4.32Å; R343-I356 WeakPolarHBondContact CA-O 3.37Å; R343-N357 HydrophobicContact CB-CB 3.99Å
344	C	91.4	Very high	86	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.034	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	144.5	168.8	-62	0	0	0	0	110.1	C329 V333 I356	C329-C344 WeakPolarHBondContact CA-SG 3.36Å; C329-C344 HydrophobicContact CB-CB 3.74Å; C329-C344 WeakPolarHBondContact CB-SG 3.31Å; C329-C344 PolarHBondContact N-SG 3.07Å; C329-C344 WeakPolarHBondContact SG-CA 3.26Å; C329-C344 WeakPolarHBondContact SG-CB 3.31Å; C329-C344 CovalentContact SG-SG 2.01Å; C329-C344 PolarHBondContact SG-SG 3Å; V333-C344 HydrophobicContact CG1-CB 4.46Å; C344-I356 HydrophobicContact CB-CD1 4.44Å; C344-I356 HydrophobicContact CB-CG1 3.64Å; C344-I356 PolarHBondContact N-O 3.06Å; C344-I356 VanDerWaalsContact SG-CD1 3.52Å; C344-I356 WeakPolarHBondContact SG-CG1 3.39Å
345	E	88.4	Confident	85.8	Confident	76 Å²	76	62.2 Å²	62.2	36%	0.355	35%	0.345	S	S	.	.			trans	-74	178.6	169.7	-63.4	-160.6	136.3	0	0	111.6	V333 R334 V336 Q369	V333-E345 HydrophobicContact CG1-CB 4.13Å; V333-E345 VanDerWaalsContact CG1-O 3.27Å; V333-E345 WeakPolarHBondContact CG1-O 3.45Å; R334-E345 HydrophobicContact CB-CG 4.35Å; R334-E345 WeakPolarHBondContact CB-OE2 3.32Å; R334-E345 IonicContact CZ-OE1 3.19Å; R334-E345 IonicContact CZ-OE2 2.63Å; R334-E345 VanDerWaalsContact NE-CD 3.31Å; R334-E345 IonicContact NE-OE1 3.54Å; R334-E345 IonicContact NE-OE2 2.7Å; R334-E345 PolarHBondContact NE-OE2 3.47Å; R334-E345 VanDerWaalsContact NH2-CD 3.28Å; R334-E345 IonicContact NH2-OE1 3.62Å; R334-E345 PolarHBondContact NH2-OE1 3.23Å; R334-E345 IonicContact NH2-OE2 2.88Å; R334-E345 PolarHBondContact NH2-OE2 3.19Å; R334-E345 PolarHBondContact O-N 3.34Å; R334-E345 VanDerWaalsContact O-N 3.13Å; V336-E345 HydrophobicContact CG2-CG 4.46Å; E345-Q369 PolarHBondContact O-NE2 3.42Å
346	K	87.5	Confident	85.6	Confident	152 Å²	152	61.6 Å²	61.6	66%	0.661	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-62.3	154.1	178.6	-67.9	-179.9	177.1	-176.4	0	111.4	E355	K346-E355 WeakPolarHBondContact CE-OE1 3.3Å; K346-E355 HydrophobicContact CG-CG 4.1Å; K346-E355 WeakPolarHBondContact CG-OE1 3.41Å
347	C	87.6	Confident	85.6	Confident	22 Å²	22	66 Å²	66	15%	0.149	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-56	152.7	172.3	-69.4	0	0	0	0	111.4	G353 C371	C347-G353 VanDerWaalsContact SG-CA 3.58Å; C347-G353 PolarHBondContact SG-N 3.45Å; C347-C371 VanDerWaalsContact CA-SG 3.56Å; C347-C371 HydrophobicContact CB-CB 3.79Å; C347-C371 WeakPolarHBondContact CB-SG 3.44Å; C347-C371 VanDerWaalsContact SG-CA 3.56Å; C347-C371 WeakPolarHBondContact SG-CB 3.19Å; C347-C371 CovalentContact SG-SG 2.04Å; C347-C371 PolarHBondContact SG-SG 3.32Å
348	P	85.2	Confident	85.6	Confident	48 Å²	48	63.9 Å²	63.9	31%	0.312	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-59.5	160.7	176.4	-19.7	34.2	0	0	0	111.4	V333 G350 Y351	V333-P348 HydrophobicContact CG2-CG 3.96Å; P348-G350 PolarHBondContact O-N 3.31Å; P348-Y351 HydrophobicContact CB-CD2 4.37Å; P348-Y351 PolarHBondContact O-N 3.46Å
349	V	81.4	Confident	85.5	Confident	149 Å²	149	64.9 Å²	64.9	90%	0.903	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	136.5	172.8	-177.7	0	0	0	0	109.2
350	G	77.9	Confident	85.5	Confident	8 Å²	8	61.6 Å²	61.6	8%	0.082	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	88	0	-174	0	0	0	0	0	114.7	P348 L374	P348-G350 PolarHBondContact O-N 3.31Å; G350-L374 PolarHBondContact O-N 3.44Å
351	Y	84.3	Confident	85.6	Confident	59 Å²	59	61 Å²	61	23%	0.231	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.9	177	-65.8	-97.1	0	0	0	112	P348 C371 E372 I396 G397	P348-Y351 HydrophobicContact CB-CD2 4.37Å; P348-Y351 PolarHBondContact O-N 3.46Å; Y351-C371 HydrophobicContact CD1-CB 4.25Å; Y351-C371 HydrophobicContact CG-CB 4.36Å; Y351-E372 CarbonylContact C-O 3.34Å; Y351-E372 WeakPolarHBondContact CA-O 3.27Å; Y351-E372 WeakPolarHBondContact CB-O 3.21Å; Y351-E372 WeakPolarHBondContact CD1-O 3.45Å; Y351-I396 HydrophobicContact CE1-CG2 4.35Å; Y351-I396 WeakPolarHBondContact OH-CG2 3.3Å; Y351-G397 VanDerWaalsContact CE2-CA 3.43Å
352	M	84.1	Confident	85.4	Confident	117 Å²	117	65.1 Å²	65.1	58%	0.576	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.9	169.4	-67.6	-156.2	-42.3	0	0	111.3	E372 L374	M352-E372 PolarHBondContact N-O 3.21Å; M352-E372 PolarHBondContact O-N 3.04Å; M352-L374 HydrophobicContact CE-CD1 3.83Å; M352-L374 HydrophobicContact CG-CB 4.14Å; M352-L374 HydrophobicContact CG-CD1 3.84Å; M352-L374 HydrophobicContact CG-CD2 4.09Å; M352-L374 HydrophobicContact CG-CG 4.24Å; M352-L374 HydrophobicContact SD-CD1 3.72Å; M352-L374 HydrophobicContact SD-CD2 4.43Å
353	G	83.6	Confident	85.1	Confident	34 Å²	34	69.3 Å²	69.3	35%	0.351	37%	0.372	S	S	.	.			trans	-174.6	160.7	177.1	0	0	0	0	0	111.1	C347 V370	C347-G353 VanDerWaalsContact SG-CA 3.58Å; C347-G353 PolarHBondContact SG-N 3.45Å; G353-V370 WeakPolarHBondContact CA-O 3.44Å
354	P	81.2	Confident	84.8	Confident	87 Å²	87	62.8 Å²	62.8	57%	0.565	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-65.8	141.5	179	27	-33.2	0	0	0	111.1	I356 Q369	P354-I356 PolarHBondContact O-N 2.67Å; P354-Q369 PolarHBondContact O-NE2 2.99Å
355	E	82.9	Confident	84.4	Confident	121 Å²	121	68.3 Å²	68.3	57%	0.565	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-69.7	124.7	163.4	-68.7	-178.1	-161.2	0	0	108.2	K346	K346-E355 WeakPolarHBondContact CE-OE1 3.3Å; K346-E355 HydrophobicContact CG-CG 4.1Å; K346-E355 WeakPolarHBondContact CG-OE1 3.41Å
356	I	86.4	Confident	84.1	Confident	23 Å²	23	68.5 Å²	68.5	12%	0.118	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-103.5	135	177.4	67.1	162.7	0	0	0	110.6	P328 F342 R343 C344 P354 H367 Q369	P328-I356 HydrophobicContact CB-CD1 4.37Å; P328-I356 WeakPolarHBondContact O-CD1 3.48Å; F342-I356 HydrophobicContact CE2-CD1 3.82Å; F342-I356 HydrophobicContact CE2-CG1 4.19Å; F342-I356 HydrophobicContact CZ-CD1 4.12Å; R343-I356 WeakPolarHBondContact CA-O 3.37Å; C344-I356 HydrophobicContact CB-CD1 4.44Å; C344-I356 HydrophobicContact CB-CG1 3.64Å; C344-I356 PolarHBondContact N-O 3.06Å; C344-I356 VanDerWaalsContact SG-CD1 3.52Å; C344-I356 WeakPolarHBondContact SG-CG1 3.39Å; P354-I356 PolarHBondContact O-N 2.67Å; I356-H367 WeakPolarHBondContact CD1-O 3.4Å; I356-Q369 HydrophobicContact CD1-CB 3.71Å; I356-Q369 VanDerWaalsContact CD1-N 3.32Å; I356-Q369 HydrophobicContact CG1-CB 3.85Å; I356-Q369 HydrophobicContact CG1-CG 4.34Å; I356-Q369 HydrophobicContact CG2-CB 4.35Å; I356-Q369 HydrophobicContact CG2-CG 4.44Å
357	N	89.3	Confident	84	Confident	119 Å²	119	65.6 Å²	65.6	64%	0.636	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.8	146.4	167.5	60.6	-15.1	0	0	0	108.9	F342 R343	F342-N357 VanDerWaalsContact O-CA 3.29Å; F342-N357 WeakPolarHBondContact O-CA 3.36Å; R343-N357 HydrophobicContact CB-CB 3.99Å
358	G	87.3	Confident	83.9	Confident	13 Å²	13	70.5 Å²	70.5	13%	0.134	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	164.7	-174.8	0	0	0	0	0	112.1	G341 F342	G341-G358 CarbonylContact C-O 3.51Å; G341-G358 WeakPolarHBondContact CA-O 3.39Å; F342-G358 WeakPolarHBondContact CD1-O 3.38Å; F342-G358 PolarHBondContact N-O 3.2Å; F342-G358 PolarHBondContact O-N 3.34Å
359	V	85.6	Confident	84	Confident	62 Å²	62	68.5 Å²	68.5	38%	0.376	38%	0.375	S	S	.	.			trans	-123.4	132.2	-176.2	-179.5	0	0	0	0	109.1	D309 P340	D309-V359 VanDerWaalsContact C-CG1 3.49Å; D309-V359 HydrophobicContact CB-CG1 4.27Å; D309-V359 WeakPolarHBondContact O-CG1 3.31Å; P340-V359 HydrophobicContact CB-CG1 3.86Å; P340-V359 HydrophobicContact CB-CG2 4.34Å; P340-V359 HydrophobicContact CG-CG2 4.49Å
360	G	82.9	Confident	84.2	Confident	3 Å²	3	65.4 Å²	65.4	3%	0.031	36%	0.356	C	S	.	.	S	Bend	trans	92.6	151.6	175.4	0	0	0	0	0	115	E323 S362 Y363 A364	E323-G360 WeakPolarHBondContact OE1-CA 3.48Å; E323-G360 PolarHBondContact OE1-N 3.2Å; G360-S362 VanDerWaalsContact C-N 3.33Å; G360-S362 PolarHBondContact O-N 3.41Å; G360-Y363 PolarHBondContact O-N 2.65Å; G360-A364 PolarHBondContact O-N 3.1Å; G360-A364 VanDerWaalsContact O-N 3.12Å
361	V	81.7	Confident	84.6	Confident	44 Å²	44	65.5 Å²	65.5	27%	0.267	36%	0.355	S	S	.	.	H	α-helix	trans	-64.8	-33.8	-173.8	179.8	0	0	0	0	113.1	V321 F326 Y363 K365	V321-V361 HydrophobicContact CG1-CG2 3.51Å; F326-V361 HydrophobicContact CD2-CG1 4Å; F326-V361 HydrophobicContact CE1-CG1 4.16Å; F326-V361 HydrophobicContact CE2-CB 4.36Å; F326-V361 HydrophobicContact CE2-CG1 3.6Å; F326-V361 HydrophobicContact CE2-CG2 3.92Å; F326-V361 HydrophobicContact CG-CG1 4.44Å; F326-V361 HydrophobicContact CZ-CG1 3.68Å; F326-V361 HydrophobicContact CZ-CG2 4.5Å; V361-Y363 VanDerWaalsContact C-N 3.33Å; V361-K365 HydrophobicContact CG1-CD 4.13Å; V361-K365 WeakPolarHBondContact O-CG 3.44Å; V361-K365 PolarHBondContact O-N 2.63Å; V361-K365 VanDerWaalsContact O-N 3.13Å
362	S	83.3	Confident	84.6	Confident	86 Å²	86	69.4 Å²	69.4	60%	0.601	38%	0.375	S	S	*	.	H	α-helix	trans	-64.9	-39.2	177.6	52.5	0	0	0	0	111.3	G360 S366	G360-S362 VanDerWaalsContact C-N 3.33Å; G360-S362 PolarHBondContact O-N 3.41Å; S362-S366 WeakPolarHBondContact O-CB 3.45Å; S362-S366 PolarHBondContact O-N 3.04Å; S362-S366 PolarHBondContact O-OG 3.1Å
363	Y	85.3	Confident	84.6	Confident	90 Å²	90	66.3 Å²	66.3	35%	0.353	36%	0.361	S	S	.	.	H	α-helix	trans	-69.8	-47.8	177.5	-162.5	-89.2	0	0	0	111	F342 G360 V361 K365 S366 H367	F342-Y363 HydrophobicContact CE1-CD1 4.34Å; G360-Y363 PolarHBondContact O-N 2.65Å; V361-Y363 VanDerWaalsContact C-N 3.33Å; Y363-K365 PolarHBondContact O-N 3.45Å; Y363-S366 PolarHBondContact O-N 3.29Å; Y363-S366 VanDerWaalsContact O-N 3.1Å; Y363-S366 PolarHBondContact O-OG 3.46Å; Y363-H367 HydrophobicContact CD1-CB 4.06Å; Y363-H367 AromaticContact CD2-ND1 3.69Å; Y363-H367 HydrophobicContact CE1-CB 3.71Å; Y363-H367 AromaticContact CE1-CG 3.94Å; Y363-H367 HydrophobicContact CE2-CB 4.48Å; Y363-H367 AromaticContact CE2-CE1 3.76Å; Y363-H367 AromaticContact CE2-CG 3.8Å; Y363-H367 AromaticContact CE2-ND1 3.63Å; Y363-H367 AromaticContact CE2-NE2 4Å; Y363-H367 AromaticContact CZ-CD2 3.89Å; Y363-H367 AromaticContact CZ-CG 3.65Å; Y363-H367 AromaticContact CZ-ND1 3.97Å; Y363-H367 PolarHBondContact O-N 3.28Å
364	A	82.9	Confident	84.7	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-59.4	-29.7	178	0	0	0	0	0	114	E323 P328 F342 G360	E323-A364 HydrophobicContact CB-CB 3.77Å; E323-A364 HydrophobicContact CG-CB 4.34Å; P328-A364 HydrophobicContact CB-CB 4.23Å; F342-A364 HydrophobicContact CD1-CB 4.05Å; F342-A364 HydrophobicContact CE1-CB 3.57Å; F342-A364 HydrophobicContact CZ-CB 4.17Å; G360-A364 PolarHBondContact O-N 3.1Å; G360-A364 VanDerWaalsContact O-N 3.12Å
365	K	83.5	Confident	84.8	Confident	122 Å²	122	66.2 Å²	66.2	53%	0.53	35%	0.348	S	S	.	.	H	α-helix	trans	-80.8	-30.9	176	-74.5	178	-179.9	177.7	0	114.1	F326 V361 Y363	F326-K365 HydrophobicContact CB-CG 4.37Å; F326-K365 HydrophobicContact CD1-CD 4.45Å; F326-K365 HydrophobicContact CD1-CG 4.31Å; F326-K365 HydrophobicContact CG-CG 4.42Å; V361-K365 HydrophobicContact CG1-CD 4.13Å; V361-K365 WeakPolarHBondContact O-CG 3.44Å; V361-K365 PolarHBondContact O-N 2.63Å; V361-K365 VanDerWaalsContact O-N 3.13Å; Y363-K365 PolarHBondContact O-N 3.45Å
366	S	83.3	Confident	85	Confident	79 Å²	79	62.3 Å²	62.3	55%	0.552	33%	0.329	S	S	*	.	H	α-helix	trans	-94.3	-30.5	-173.2	50.8	0	0	0	0	113.2	S362 Y363	S362-S366 WeakPolarHBondContact O-CB 3.45Å; S362-S366 PolarHBondContact O-N 3.04Å; S362-S366 PolarHBondContact O-OG 3.1Å; Y363-S366 PolarHBondContact O-N 3.29Å; Y363-S366 VanDerWaalsContact O-N 3.1Å; Y363-S366 PolarHBondContact O-OG 3.46Å
367	H	83.8	Confident	84.9	Confident	92 Å²	92	62.3 Å²	62.3	43%	0.426	33%	0.331	S	S	.	.			trans	-114.2	86.7	-175.5	-63.5	75.4	0	0	0	109.2	I356 Y363	I356-H367 WeakPolarHBondContact CD1-O 3.4Å; Y363-H367 HydrophobicContact CD1-CB 4.06Å; Y363-H367 AromaticContact CD2-ND1 3.69Å; Y363-H367 HydrophobicContact CE1-CB 3.71Å; Y363-H367 AromaticContact CE1-CG 3.94Å; Y363-H367 HydrophobicContact CE2-CB 4.48Å; Y363-H367 AromaticContact CE2-CE1 3.76Å; Y363-H367 AromaticContact CE2-CG 3.8Å; Y363-H367 AromaticContact CE2-ND1 3.63Å; Y363-H367 AromaticContact CE2-NE2 4Å; Y363-H367 AromaticContact CZ-CD2 3.89Å; Y363-H367 AromaticContact CZ-CG 3.65Å; Y363-H367 AromaticContact CZ-ND1 3.97Å; Y363-H367 PolarHBondContact O-N 3.28Å
368	K	86.2	Confident	84.6	Confident	125 Å²	125	63.8 Å²	63.8	54%	0.543	34%	0.338	S	S	.	.			trans	-89.1	144.1	174.4	-64.9	-169.3	175.3	-167.6	0	110.6	P328 V370	P328-K368 CarbonylContact O-C 3.52Å; P328-K368 VanDerWaalsContact O-CA 3.23Å; P328-K368 WeakPolarHBondContact O-CA 3.41Å; K368-V370 PolarHBondContact O-N 2.99Å
369	Q	86.9	Confident	83.8	Confident	6 Å²	6	64.4 Å²	64.4	3%	0.028	35%	0.345	C	S	.	.			trans	-68.1	127.7	175	-168.4	178	28.5	0	0	108.9	P328 F330 E345 P354 I356	P328-Q369 PolarHBondContact O-N 3.37Å; F330-Q369 HydrophobicContact CB-CB 4.28Å; F330-Q369 HydrophobicContact CB-CG 4.37Å; E345-Q369 PolarHBondContact O-NE2 3.42Å; P354-Q369 PolarHBondContact O-NE2 2.99Å; I356-Q369 HydrophobicContact CD1-CB 3.71Å; I356-Q369 VanDerWaalsContact CD1-N 3.32Å; I356-Q369 HydrophobicContact CG1-CB 3.85Å; I356-Q369 HydrophobicContact CG1-CG 4.34Å; I356-Q369 HydrophobicContact CG2-CB 4.35Å; I356-Q369 HydrophobicContact CG2-CG 4.44Å
370	V	86.1	Confident	82.9	Confident	84 Å²	84	67.7 Å²	67.7	51%	0.509	37%	0.368	S	S	.	.			trans	-108.9	121.9	173.6	-176.9	0	0	0	0	106.8	G353 K368 E372	G353-V370 WeakPolarHBondContact CA-O 3.44Å; K368-V370 PolarHBondContact O-N 2.99Å; V370-E372 HydrophobicContact CG1-CG 4.16Å
371	C	86.9	Confident	82.1	Confident	9 Å²	9	71.9 Å²	71.9	6%	0.061	39%	0.394	C	S	.	.			trans	-108.6	118	172.1	-65.5	0	0	0	0	106.7	F330 C347 Y351	F330-C371 HydrophobicContact CB-CB 4.27Å; F330-C371 VanDerWaalsContact CB-SG 3.54Å; F330-C371 HydrophobicContact CD1-CB 3.87Å; F330-C371 HydrophobicContact CD2-CB 3.81Å; F330-C371 HydrophobicContact CE1-CB 4.12Å; F330-C371 HydrophobicContact CE2-CB 4.06Å; F330-C371 HydrophobicContact CG-CB 3.71Å; F330-C371 HydrophobicContact CZ-CB 4.2Å; C347-C371 VanDerWaalsContact CA-SG 3.56Å; C347-C371 HydrophobicContact CB-CB 3.79Å; C347-C371 WeakPolarHBondContact CB-SG 3.44Å; C347-C371 VanDerWaalsContact SG-CA 3.56Å; C347-C371 WeakPolarHBondContact SG-CB 3.19Å; C347-C371 CovalentContact SG-SG 2.04Å; C347-C371 PolarHBondContact SG-SG 3.32Å; Y351-C371 HydrophobicContact CD1-CB 4.25Å; Y351-C371 HydrophobicContact CG-CB 4.36Å
372	E	84.5	Confident	81.5	Confident	141 Å²	141	78.4 Å²	78.4	66%	0.659	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	150.5	176.2	-64.6	-175.5	171.8	0	0	109.3	Y351 M352 V370	Y351-E372 CarbonylContact C-O 3.34Å; Y351-E372 WeakPolarHBondContact CA-O 3.27Å; Y351-E372 WeakPolarHBondContact CB-O 3.21Å; Y351-E372 WeakPolarHBondContact CD1-O 3.45Å; M352-E372 PolarHBondContact N-O 3.21Å; M352-E372 PolarHBondContact O-N 3.04Å; V370-E372 HydrophobicContact CG1-CG 4.16Å
373	D	84.3	Confident	81.3	Confident	52 Å²	52	75.9 Å²	75.9	28%	0.278	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	133.4	178.7	-175.2	52	0	0	0	110.9	N394 I396 G397	D373-N394 PolarHBondContact OD2-ND2 2.69Å; D373-I396 WeakPolarHBondContact OD1-CA 3.49Å; D373-G397 PolarHBondContact OD1-N 3.46Å
374	L	84.3	Confident	80.9	Confident	63 Å²	63	72.2 Å²	72.2	33%	0.33	39%	0.391	S	S	.	.			trans	-90	114.8	176	176.4	57.8	0	0	0	108.9	G350 M352 E376	G350-L374 PolarHBondContact O-N 3.44Å; M352-L374 HydrophobicContact CE-CD1 3.83Å; M352-L374 HydrophobicContact CG-CB 4.14Å; M352-L374 HydrophobicContact CG-CD1 3.84Å; M352-L374 HydrophobicContact CG-CD2 4.09Å; M352-L374 HydrophobicContact CG-CG 4.24Å; M352-L374 HydrophobicContact SD-CD1 3.72Å; M352-L374 HydrophobicContact SD-CD2 4.43Å; L374-E376 HydrophobicContact CG-CG 4.45Å; L374-E376 PolarHBondContact O-N 3.01Å; L374-E376 VanDerWaalsContact O-OE2 3.05Å
375	D	84.3	Confident	80.7	Confident	57 Å²	57	74.7 Å²	74.7	31%	0.305	42%	0.417	S	S	.	.			trans	-72.5	95.3	173.3	-167.9	-24.3	0	0	0	110.6	C377 L378 N394	D375-C377 PolarHBondContact O-N 3.24Å; D375-C377 WeakPolarHBondContact OD1-CB 3.12Å; D375-C377 PolarHBondContact OD1-N 2.7Å; D375-L378 HydrophobicContact CB-CD1 4.1Å; D375-L378 HydrophobicContact CB-CG 4.34Å; D375-L378 PolarHBondContact O-N 2.94Å; D375-L378 WeakPolarHBondContact OD2-CD1 3.29Å; D375-N394 WeakPolarHBondContact OD1-CB 3.29Å
376	E	87	Confident	80.7	Confident	38 Å²	38	69.3 Å²	69.3	18%	0.178	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-68.2	-17.7	-179.1	-58.3	97.5	162	0	0	112.7	L374 L378 G384 N394 F399	L374-E376 HydrophobicContact CG-CG 4.45Å; L374-E376 PolarHBondContact O-N 3.01Å; L374-E376 VanDerWaalsContact O-OE2 3.05Å; E376-L378 PolarHBondContact O-N 3.25Å; E376-G384 WeakPolarHBondContact O-CA 3.3Å; E376-G384 PolarHBondContact O-N 3Å; E376-N394 PolarHBondContact OE2-OD1 2.89Å; E376-F399 HydrophobicContact CB-CB 4.23Å; E376-F399 HydrophobicContact CB-CD1 3.47Å; E376-F399 VanDerWaalsContact CB-CD1 3.47Å; E376-F399 HydrophobicContact CB-CE1 4.05Å; E376-F399 HydrophobicContact CB-CG 3.94Å; E376-F399 HydrophobicContact CG-CD1 3.81Å; E376-F399 HydrophobicContact CG-CE1 4.37Å; E376-F399 WeakPolarHBondContact OE2-CB 3.42Å; E376-F399 PolarHBondContact OE2-N 3.04Å
377	C	84.3	Confident	80.7	Confident	23 Å²	23	66.8 Å²	66.8	16%	0.155	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-69.9	-20.9	177.6	-56.5	0	0	0	0	112.8	D375 C392	D375-C377 PolarHBondContact O-N 3.24Å; D375-C377 WeakPolarHBondContact OD1-CB 3.12Å; D375-C377 PolarHBondContact OD1-N 2.7Å; C377-C392 VanDerWaalsContact CA-SG 3.55Å; C377-C392 HydrophobicContact CB-CB 3.73Å; C377-C392 WeakPolarHBondContact CB-SG 3.47Å; C377-C392 WeakPolarHBondContact SG-CB 3.44Å; C377-C392 CovalentContact SG-SG 2.04Å; C377-C392 PolarHBondContact SG-SG 2.81Å
378	L	82.5	Confident	80.3	Confident	150 Å²	150	67 Å²	67	79%	0.785	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-99.2	-5.6	-176.5	-61.4	177.3	0	0	0	113.8	D375 E376	D375-L378 HydrophobicContact CB-CD1 4.1Å; D375-L378 HydrophobicContact CB-CG 4.34Å; D375-L378 PolarHBondContact O-N 2.94Å; D375-L378 WeakPolarHBondContact OD2-CD1 3.29Å; E376-L378 PolarHBondContact O-N 3.25Å
379	G	70.6	Confident	79.7	Confident	27 Å²	27	64.4 Å²	64.4	28%	0.278	38%	0.377	S	S	.	.	S	Bend	trans	-106.1	170	-176.4	0	0	0	0	0	114.2	P381	G379-P381 CarbonylContact O-C 3.44Å
380	P	66.3	Low	79.6	Confident	131 Å²	131	64.1 Å²	64.1	85%	0.851	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	134.7	170.4	27.3	-29.7	0	0	0	111.4
381	P	66.8	Low	79.5	Confident	91 Å²	91	62.8 Å²	62.8	59%	0.591	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	cis	-69.4	141.4	1.7	29.1	-33.9	0	0	0	112.6	G379 G384 G385	G379-P381 CarbonylContact O-C 3.44Å; P381-G384 PolarHBondContact O-N 3.27Å; P381-G384 VanDerWaalsContact O-N 3.07Å; P381-G385 PolarHBondContact O-N 3.18Å
382	E	68.9	Low	79.5	Confident	181 Å²	181	63.5 Å²	63.5	85%	0.846	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-47.5	141	-177.6	-70.9	-174	169.9	0	0	111.9	G384 G385	E382-G384 VanDerWaalsContact C-N 3.25Å; E382-G384 PolarHBondContact O-N 2.96Å; E382-G385 PolarHBondContact O-N 2.95Å
383	N	78.8	Confident	79.7	Confident	33 Å²	33	61 Å²	61	18%	0.176	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	61	28.9	-176.5	-157.1	41.4	0	0	0	113.9	G385 C386 S390 C392	N383-G385 PolarHBondContact O-N 3.26Å; N383-G385 VanDerWaalsContact O-N 3.09Å; N383-C386 WeakPolarHBondContact O-CB 3.48Å; N383-C386 PolarHBondContact O-N 2.89Å; N383-C386 PolarHBondContact O-SG 3.2Å; N383-S390 PolarHBondContact ND2-O 3.15Å; N383-C392 VanDerWaalsContact OD1-CB 3.24Å; N383-C392 WeakPolarHBondContact OD1-CB 3.17Å
384	G	75.8	Confident	79.7	Confident	12 Å²	12	61.1 Å²	61.1	12%	0.124	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	66.4	8.5	-180	0	0	0	0	0	114.7	E376 P381 E382 F399	E376-G384 WeakPolarHBondContact O-CA 3.3Å; E376-G384 PolarHBondContact O-N 3Å; P381-G384 PolarHBondContact O-N 3.27Å; P381-G384 VanDerWaalsContact O-N 3.07Å; E382-G384 VanDerWaalsContact C-N 3.25Å; E382-G384 PolarHBondContact O-N 2.96Å; G384-F399 WeakPolarHBondContact O-CE2 3.26Å; G384-F399 WeakPolarHBondContact O-CZ 3.38Å
385	G	78.8	Confident	79.7	Confident	53 Å²	53	60.1 Å²	60.1	55%	0.546	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	82.1	11.6	-170.8	0	0	0	0	0	114.5	P381 E382 N383	P381-G385 PolarHBondContact O-N 3.18Å; E382-G385 PolarHBondContact O-N 2.95Å; N383-G385 PolarHBondContact O-N 3.26Å; N383-G385 VanDerWaalsContact O-N 3.09Å
386	C	85.1	Confident	79.7	Confident	8 Å²	8	64.2 Å²	64.2	5%	0.054	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-66.4	155.2	165.7	-62.9	0	0	0	0	111.2	N383 C401	N383-C386 WeakPolarHBondContact O-CB 3.48Å; N383-C386 PolarHBondContact O-N 2.89Å; N383-C386 PolarHBondContact O-SG 3.2Å; C386-C401 WeakPolarHBondContact CA-SG 3.37Å; C386-C401 HydrophobicContact CB-CB 3.72Å; C386-C401 WeakPolarHBondContact CB-SG 3.4Å; C386-C401 WeakPolarHBondContact SG-CA 3.42Å; C386-C401 WeakPolarHBondContact SG-CB 3.4Å; C386-C401 CovalentContact SG-SG 2.03Å; C386-C401 PolarHBondContact SG-SG 3.28Å
387	T	82.6	Confident	79.4	Confident	26 Å²	26	63.5 Å²	63.5	16%	0.16	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-50.4	135.7	175.9	-68.7	0	0	0	0	110.9	N389 S390 Q412 C416	T387-N389 PolarHBondContact O-N 2.9Å; T387-S390 WeakPolarHBondContact O-CB 3.42Å; T387-S390 PolarHBondContact O-N 3.35Å; T387-S390 VanDerWaalsContact O-N 3.1Å; T387-S390 PolarHBondContact O-OG 2.88Å; T387-Q412 VanDerWaalsContact N-OE1 3.15Å; T387-Q412 PolarHBondContact OG1-O 2.86Å; T387-Q412 PolarHBondContact OG1-OE1 2.95Å; T387-C416 HydrophobicContact CG2-CB 4.45Å
388	P	76.4	Confident	79.4	Confident	96 Å²	96	65.1 Å²	65.1	62%	0.623	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	141	176.4	-26.2	34.3	0	0	0	111.4	S390	P388-S390 PolarHBondContact O-N 3.13Å
389	N	72.6	Confident	79.6	Confident	72 Å²	72	61 Å²	61	39%	0.385	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	18.3	-176.3	-51.2	-45.7	0	0	0	115.8	T387 R405 F408 C416	T387-N389 PolarHBondContact O-N 2.9Å; N389-R405 WeakPolarHBondContact O-CB 3.37Å; N389-R405 WeakPolarHBondContact O-CG 3.35Å; N389-R405 PolarHBondContact O-N 2.83Å; N389-F408 HydrophobicContact CB-CD1 3.76Å; N389-F408 HydrophobicContact CB-CD2 4.12Å; N389-F408 HydrophobicContact CB-CE1 3.86Å; N389-F408 HydrophobicContact CB-CE2 4.2Å; N389-F408 HydrophobicContact CB-CG 3.93Å; N389-F408 HydrophobicContact CB-CZ 4.09Å; N389-F408 VanDerWaalsContact ND2-CE1 3.3Å; N389-F408 WeakPolarHBondContact ND2-CE1 3.23Å; N389-C416 HydrophobicContact CB-CB 4.18Å
390	S	84.1	Confident	80.4	Confident	0 Å²	0	67 Å²	67	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	158	165	71.2	0	0	0	0	112.8	N383 T387 P388 Q412	N383-S390 PolarHBondContact ND2-O 3.15Å; T387-S390 WeakPolarHBondContact O-CB 3.42Å; T387-S390 PolarHBondContact O-N 3.35Å; T387-S390 VanDerWaalsContact O-N 3.1Å; T387-S390 PolarHBondContact O-OG 2.88Å; P388-S390 PolarHBondContact O-N 3.13Å; S390-Q412 PolarHBondContact OG-NE2 2.97Å
391	L	84.6	Confident	81.3	Confident	55 Å²	55	63 Å²	63	29%	0.288	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	134.2	175.6	-67.2	173.1	0	0	0	110.3	Y393 G402 E403 R405	L391-Y393 HydrophobicContact CB-CE1 4.48Å; L391-Y393 HydrophobicContact CB-CE2 4.18Å; L391-Y393 VanDerWaalsContact CD1-OH 3.26Å; L391-Y393 WeakPolarHBondContact CD1-OH 3.27Å; L391-G402 WeakPolarHBondContact O-CA 3.14Å; L391-G402 PolarHBondContact O-N 3.32Å; L391-E403 HydrophobicContact CD1-CG 3.94Å; L391-E403 PolarHBondContact N-O 2.73Å; L391-R405 HydrophobicContact CD2-CG 3.92Å; L391-R405 HydrophobicContact CG-CG 4.22Å
392	C	87.9	Confident	82.1	Confident	25 Å²	25	59.6 Å²	59.6	17%	0.169	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.6	171.1	-177.3	0	0	0	0	108.8	C377 N383	C377-C392 VanDerWaalsContact CA-SG 3.55Å; C377-C392 HydrophobicContact CB-CB 3.73Å; C377-C392 WeakPolarHBondContact CB-SG 3.47Å; C377-C392 WeakPolarHBondContact SG-CB 3.44Å; C377-C392 CovalentContact SG-SG 2.04Å; C377-C392 PolarHBondContact SG-SG 2.81Å; N383-C392 VanDerWaalsContact OD1-CB 3.24Å; N383-C392 WeakPolarHBondContact OD1-CB 3.17Å
393	Y	88.2	Confident	82.7	Confident	87 Å²	87	57.5 Å²	57.5	34%	0.341	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.1	177	-57.7	-69.3	0	0	0	109.7	L391 F399 R400	L391-Y393 HydrophobicContact CB-CE1 4.48Å; L391-Y393 HydrophobicContact CB-CE2 4.18Å; L391-Y393 VanDerWaalsContact CD1-OH 3.26Å; L391-Y393 WeakPolarHBondContact CD1-OH 3.27Å; Y393-F399 WeakPolarHBondContact O-CA 3.3Å; Y393-R400 HydrophobicContact CD2-CG 4.35Å; Y393-R400 PolarHBondContact N-O 3.23Å; Y393-R400 PolarHBondContact O-N 3.26Å
394	N	83.9	Confident	82.8	Confident	55 Å²	55	56.8 Å²	56.8	29%	0.294	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	139	171.9	-173.6	34.1	0	0	0	110.9	D373 D375 E376	D373-N394 PolarHBondContact OD2-ND2 2.69Å; D375-N394 WeakPolarHBondContact OD1-CB 3.29Å; E376-N394 PolarHBondContact OE2-OD1 2.89Å
395	T	85	Confident	82.5	Confident	43 Å²	43	62.2 Å²	62.2	26%	0.264	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.4	175.8	65.7	0	0	0	0	110.1	G397 S398 R400	T395-G397 PolarHBondContact O-N 2.89Å; T395-S398 CarbonylContact C-O 3.56Å; T395-S398 WeakPolarHBondContact CA-O 3.13Å; T395-S398 WeakPolarHBondContact CB-O 3.37Å; T395-S398 PolarHBondContact N-O 3.09Å; T395-S398 CarbonylContact O-C 3.56Å; T395-S398 PolarHBondContact O-N 2.89Å; T395-S398 VanDerWaalsContact O-N 3.14Å; T395-S398 PolarHBondContact OG1-O 2.83Å; T395-R400 HydrophobicContact CG2-CG 4.47Å
396	I	84.1	Confident	81.5	Confident	143 Å²	143	64.7 Å²	64.7	73%	0.733	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	111.3	-177.4	-63.2	170.7	0	0	0	110.1	Y351 D373	Y351-I396 HydrophobicContact CE1-CG2 4.35Å; Y351-I396 WeakPolarHBondContact OH-CG2 3.3Å; D373-I396 WeakPolarHBondContact OD1-CA 3.49Å
397	G	79.3	Confident	80.1	Confident	22 Å²	22	65.9 Å²	65.9	23%	0.227	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	7	179.3	0	0	0	0	0	115.6	Y351 D373 T395	Y351-G397 VanDerWaalsContact CE2-CA 3.43Å; D373-G397 PolarHBondContact OD1-N 3.46Å; T395-G397 PolarHBondContact O-N 2.89Å
398	S	84.6	Confident	79.4	Confident	57 Å²	57	67.9 Å²	67.9	40%	0.399	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	171.3	-179	-173.3	0	0	0	0	111.3	T395	T395-S398 CarbonylContact C-O 3.56Å; T395-S398 WeakPolarHBondContact CA-O 3.13Å; T395-S398 WeakPolarHBondContact CB-O 3.37Å; T395-S398 PolarHBondContact N-O 3.09Å; T395-S398 CarbonylContact O-C 3.56Å; T395-S398 PolarHBondContact O-N 2.89Å; T395-S398 VanDerWaalsContact O-N 3.14Å; T395-S398 PolarHBondContact OG1-O 2.83Å
399	F	87	Confident	79	Confident	64 Å²	64	67.6 Å²	67.6	28%	0.281	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	167.4	167.1	68.9	-71.1	0	0	0	111.9	E376 G384 Y393	E376-F399 HydrophobicContact CB-CB 4.23Å; E376-F399 HydrophobicContact CB-CD1 3.47Å; E376-F399 VanDerWaalsContact CB-CD1 3.47Å; E376-F399 HydrophobicContact CB-CE1 4.05Å; E376-F399 HydrophobicContact CB-CG 3.94Å; E376-F399 HydrophobicContact CG-CD1 3.81Å; E376-F399 HydrophobicContact CG-CE1 4.37Å; E376-F399 WeakPolarHBondContact OE2-CB 3.42Å; E376-F399 PolarHBondContact OE2-N 3.04Å; G384-F399 WeakPolarHBondContact O-CE2 3.26Å; G384-F399 WeakPolarHBondContact O-CZ 3.38Å; Y393-F399 WeakPolarHBondContact O-CA 3.3Å
400	R	86.9	Confident	79.1	Confident	153 Å²	153	66.4 Å²	66.4	58%	0.577	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.4	165.9	68.3	174.5	-176	-101.6	-1.8	111.3	Y393 T395	Y393-R400 HydrophobicContact CD2-CG 4.35Å; Y393-R400 PolarHBondContact N-O 3.23Å; Y393-R400 PolarHBondContact O-N 3.26Å; T395-R400 HydrophobicContact CG2-CG 4.47Å
401	C	87.1	Confident	78.8	Confident	48 Å²	48	69.8 Å²	69.8	32%	0.324	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	136.3	171.8	-49.7	0	0	0	0	110.2	C386 Q412	C386-C401 WeakPolarHBondContact CA-SG 3.37Å; C386-C401 HydrophobicContact CB-CB 3.72Å; C386-C401 WeakPolarHBondContact CB-SG 3.4Å; C386-C401 WeakPolarHBondContact SG-CA 3.42Å; C386-C401 WeakPolarHBondContact SG-CB 3.4Å; C386-C401 CovalentContact SG-SG 2.03Å; C386-C401 PolarHBondContact SG-SG 3.28Å; C401-Q412 HydrophobicContact CB-CG 4Å
402	G	81.9	Confident	78.4	Confident	18 Å²	18	70.5 Å²	70.5	19%	0.186	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-160.8	-177.4	0	0	0	0	0	113.2	L391 Q412	L391-G402 WeakPolarHBondContact O-CA 3.14Å; L391-G402 PolarHBondContact O-N 3.32Å; G402-Q412 PolarHBondContact O-NE2 3.42Å
403	E	82.8	Confident	77.9	Confident	138 Å²	138	77.1 Å²	77.1	65%	0.645	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	165.1	173.8	61.9	-163.9	151.6	0	0	112.5	L391	L391-E403 HydrophobicContact CD1-CG 3.94Å; L391-E403 PolarHBondContact N-O 2.73Å
404	C	80	Confident	77.1	Confident	18 Å²	18	77.4 Å²	77.4	12%	0.122	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	146.3	172	-62.4	0	0	0	0	110.5	F408 G410 C416	C404-F408 HydrophobicContact CB-CB 3.85Å; C404-F408 WeakPolarHBondContact CB-O 3.08Å; C404-G410 PolarHBondContact SG-O 3.15Å; C404-C416 WeakPolarHBondContact CA-SG 3.23Å; C404-C416 HydrophobicContact CB-CB 3.8Å; C404-C416 WeakPolarHBondContact CB-SG 3.24Å; C404-C416 VanDerWaalsContact SG-CA 3.53Å; C404-C416 WeakPolarHBondContact SG-CB 3.3Å; C404-C416 CovalentContact SG-SG 2.04Å; C404-C416 PolarHBondContact SG-SG 3.45Å
405	R	69.9	Low	76.5	Confident	125 Å²	125	75.6 Å²	75.6	47%	0.472	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-62.1	155.8	174.7	-68.5	178	-179.2	-139	1.2	109.7	N389 L391 G407 F408	N389-R405 WeakPolarHBondContact O-CB 3.37Å; N389-R405 WeakPolarHBondContact O-CG 3.35Å; N389-R405 PolarHBondContact O-N 2.83Å; L391-R405 HydrophobicContact CD2-CG 3.92Å; L391-R405 HydrophobicContact CG-CG 4.22Å; R405-G407 PolarHBondContact O-N 3.37Å; R405-F408 WeakPolarHBondContact O-CB 3.19Å; R405-F408 PolarHBondContact O-N 2.93Å
406	A	58.4	Low	76	Confident	105 Å²	105	74.2 Å²	74.2	87%	0.868	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	132.5	176.8	0	0	0	0	0	111.2
407	G	55.9	Low	75.2	Confident	34 Å²	34	72.7 Å²	72.7	35%	0.351	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	13.5	-171.8	0	0	0	0	0	114.4	R405 G418 T419	R405-G407 PolarHBondContact O-N 3.37Å; G407-G418 CarbonylContact O-C 3.54Å; G407-G418 WeakPolarHBondContact O-CA 3.48Å; G407-T419 PolarHBondContact O-N 3.2Å; G407-T419 PolarHBondContact O-OG1 3.21Å
408	F	67.7	Low	74.2	Confident	68 Å²	68	73.8 Å²	73.8	30%	0.298	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.6	171.1	-65.9	-100.9	0	0	0	111.2	N389 C404 R405 C416 H417 T419	N389-F408 HydrophobicContact CB-CD1 3.76Å; N389-F408 HydrophobicContact CB-CD2 4.12Å; N389-F408 HydrophobicContact CB-CE1 3.86Å; N389-F408 HydrophobicContact CB-CE2 4.2Å; N389-F408 HydrophobicContact CB-CG 3.93Å; N389-F408 HydrophobicContact CB-CZ 4.09Å; N389-F408 VanDerWaalsContact ND2-CE1 3.3Å; N389-F408 WeakPolarHBondContact ND2-CE1 3.23Å; C404-F408 HydrophobicContact CB-CB 3.85Å; C404-F408 WeakPolarHBondContact CB-O 3.08Å; R405-F408 WeakPolarHBondContact O-CB 3.19Å; R405-F408 PolarHBondContact O-N 2.93Å; F408-C416 HydrophobicContact CB-CB 4.1Å; F408-C416 HydrophobicContact CD1-CB 4.48Å; F408-H417 CarbonylContact C-O 3.59Å; F408-H417 WeakPolarHBondContact CA-O 3.2Å; F408-H417 WeakPolarHBondContact CB-O 3.26Å; F408-T419 PolarHBondContact N-OG1 2.93Å
409	T	66.2	Low	73.2	Confident	89 Å²	89	73.1 Å²	73.1	55%	0.546	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	149.1	176	53.7	0	0	0	0	110.7	H417	T409-H417 PolarHBondContact N-O 2.88Å; T409-H417 PolarHBondContact O-N 3.12Å
410	G	74.7	Confident	72.4	Confident	48 Å²	48	76.2 Å²	76.2	50%	0.495	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134.4	-164.2	-178.7	0	0	0	0	0	113.2	C404 G415	C404-G410 PolarHBondContact SG-O 3.15Å; G410-G415 WeakPolarHBondContact CA-O 3.17Å
411	D	77.7	Confident	72.1	Confident	71 Å²	71	74 Å²	74	38%	0.38	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	-177.5	-178.7	73.9	8.6	0	0	0	112.9	L413 T414 G415	D411-L413 PolarHBondContact O-N 3.45Å; D411-L413 WeakPolarHBondContact OD1-CA 3.07Å; D411-L413 WeakPolarHBondContact OD1-CB 3.41Å; D411-L413 PolarHBondContact OD1-N 3.46Å; D411-T414 PolarHBondContact N-OG1 3.14Å; D411-T414 WeakPolarHBondContact OD1-CB 3.32Å; D411-T414 PolarHBondContact OD1-N 2.83Å; D411-T414 PolarHBondContact OD1-OG1 2.8Å; D411-G415 CarbonylContact O-C 3.29Å; D411-G415 PolarHBondContact O-N 3Å
412	Q	77.8	Confident	72	Confident	69 Å²	69	72 Å²	72	32%	0.322	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.1	-179.6	-61.7	-64.6	-40.2	0	0	113.6	T387 S390 C401 G402	T387-Q412 VanDerWaalsContact N-OE1 3.15Å; T387-Q412 PolarHBondContact OG1-O 2.86Å; T387-Q412 PolarHBondContact OG1-OE1 2.95Å; S390-Q412 PolarHBondContact OG-NE2 2.97Å; C401-Q412 HydrophobicContact CB-CG 4Å; G402-Q412 PolarHBondContact O-NE2 3.42Å
413	L	76	Confident	72.1	Confident	164 Å²	164	76.5 Å²	76.5	86%	0.859	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-40.5	-178.4	-75	162.8	0	0	0	112.5	D411	D411-L413 PolarHBondContact O-N 3.45Å; D411-L413 WeakPolarHBondContact OD1-CA 3.07Å; D411-L413 WeakPolarHBondContact OD1-CB 3.41Å; D411-L413 PolarHBondContact OD1-N 3.46Å
414	T	72.1	Confident	72	Confident	94 Å²	94	72.9 Å²	72.9	58%	0.577	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-29.3	-176.8	50.5	0	0	0	0	112.4	D411 H417	D411-T414 PolarHBondContact N-OG1 3.14Å; D411-T414 WeakPolarHBondContact OD1-CB 3.32Å; D411-T414 PolarHBondContact OD1-N 2.83Å; D411-T414 PolarHBondContact OD1-OG1 2.8Å; T414-H417 PolarHBondContact O-NE2 3.34Å
415	G	72.3	Confident	71.9	Confident	16 Å²	16	74.3 Å²	74.3	17%	0.165	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	108.4	151.8	-172.3	0	0	0	0	0	111.6	G410 D411 H417	G410-G415 WeakPolarHBondContact CA-O 3.17Å; D411-G415 CarbonylContact O-C 3.29Å; D411-G415 PolarHBondContact O-N 3Å; G415-H417 PolarHBondContact O-CD2 2.98Å; G415-H417 VanDerWaalsContact O-CD2 3.32Å
416	C	73.8	Confident	72.4	Confident	14 Å²	14	73 Å²	73	10%	0.095	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.7	168.2	-69.6	0	0	0	0	109.1	T387 N389 C404 F408	T387-C416 HydrophobicContact CG2-CB 4.45Å; N389-C416 HydrophobicContact CB-CB 4.18Å; C404-C416 WeakPolarHBondContact CA-SG 3.23Å; C404-C416 HydrophobicContact CB-CB 3.8Å; C404-C416 WeakPolarHBondContact CB-SG 3.24Å; C404-C416 VanDerWaalsContact SG-CA 3.53Å; C404-C416 WeakPolarHBondContact SG-CB 3.3Å; C404-C416 CovalentContact SG-SG 2.04Å; C404-C416 PolarHBondContact SG-SG 3.45Å; F408-C416 HydrophobicContact CB-CB 4.1Å; F408-C416 HydrophobicContact CD1-CB 4.48Å
417	H	68.3	Low	73.5	Confident	112 Å²	112	72.2 Å²	72.2	52%	0.519	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	142.1	178.9	-60.1	-77.9	0	0	0	110	F408 T409 T414 G415 T419	F408-H417 CarbonylContact C-O 3.59Å; F408-H417 WeakPolarHBondContact CA-O 3.2Å; F408-H417 WeakPolarHBondContact CB-O 3.26Å; T409-H417 PolarHBondContact N-O 2.88Å; T409-H417 PolarHBondContact O-N 3.12Å; T414-H417 PolarHBondContact O-NE2 3.34Å; G415-H417 PolarHBondContact O-CD2 2.98Å; G415-H417 VanDerWaalsContact O-CD2 3.32Å; H417-T419 PolarHBondContact O-N 2.79Å
418	G	58.2	Low	74.9	Confident	45 Å²	45	71.7 Å²	71.7	46%	0.464	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	132.7	-178.4	0	0	0	0	0	111.8	G407 R420	G407-G418 CarbonylContact O-C 3.54Å; G407-G418 WeakPolarHBondContact O-CA 3.48Å; G418-R420 PolarHBondContact O-N 2.89Å
419	T	63.3	Low	75.8	Confident	42 Å²	42	71.6 Å²	71.6	26%	0.258	42%	0.424	S	S	.	.			trans	-67.3	115.9	160.2	-41.9	0	0	0	0	106	G407 F408 H417 L421 P427	G407-T419 PolarHBondContact O-N 3.2Å; G407-T419 PolarHBondContact O-OG1 3.21Å; F408-T419 PolarHBondContact N-OG1 2.93Å; H417-T419 PolarHBondContact O-N 2.79Å; T419-L421 PolarHBondContact O-N 3.27Å; T419-P427 HydrophobicContact CG2-CB 4.34Å
420	R	70.2	Confident	76.9	Confident	129 Å²	129	68.3 Å²	68.3	49%	0.487	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-54.3	139.4	170.1	-70.5	169.8	68	-167	-6.7	107.2	G418 N428 V432 G434	G418-R420 PolarHBondContact O-N 2.89Å; R420-N428 HydrophobicContact CB-CB 3.87Å; R420-N428 WeakPolarHBondContact O-CB 3.04Å; R420-N428 PolarHBondContact O-N 2.91Å; R420-V432 PolarHBondContact NH1-O 3.17Å; R420-G434 PolarHBondContact NH1-O 3.24Å; R420-G434 PolarHBondContact NH2-O 3.29Å; R420-G434 VanDerWaalsContact NH2-O 3.09Å
421	L	80.6	Confident	77.7	Confident	107 Å²	107	67.9 Å²	67.9	56%	0.56	39%	0.391	S	S	*	.	B	Isolated β-bridge	trans	-100.2	148.3	171.1	-62.1	175.4	0	0	0	107.9	T419 Q426	T419-L421 PolarHBondContact O-N 3.27Å; L421-Q426 CarbonylContact C-O 3.56Å; L421-Q426 VanDerWaalsContact CA-O 3.28Å; L421-Q426 WeakPolarHBondContact CA-O 3.5Å
422	C	83.9	Confident	78.1	Confident	7 Å²	7	69.9 Å²	69.9	5%	0.047	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-72.4	165.2	167.4	-66.8	0	0	0	0	110.5	N424 G425 Q426 N428 C436 V438 I444	C422-N424 VanDerWaalsContact CB-OD1 3.31Å; C422-N424 WeakPolarHBondContact CB-OD1 3.38Å; C422-N424 PolarHBondContact O-N 2.75Å; C422-N424 VanDerWaalsContact O-N 3.13Å; C422-G425 PolarHBondContact O-N 2.83Å; C422-Q426 PolarHBondContact N-O 3.35Å; C422-N428 VanDerWaalsContact SG-CA 3.56Å; C422-C436 HydrophobicContact CB-CB 4.01Å; C422-C436 WeakPolarHBondContact CB-SG 3.26Å; C422-C436 WeakPolarHBondContact SG-CB 3.25Å; C422-C436 CovalentContact SG-SG 2.02Å; C422-C436 PolarHBondContact SG-SG 2.81Å; C422-V438 HydrophobicContact CB-CG2 4.5Å; C422-I444 HydrophobicContact CB-CD1 4.46Å
423	P	83.6	Confident	78.7	Confident	112 Å²	112	69 Å²	69	73%	0.727	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-33.8	176.5	-29	34.9	0	0	0	114.4	G425 V438	P423-G425 PolarHBondContact O-N 2.87Å; P423-V438 HydrophobicContact CB-CG2 4.14Å; P423-V438 HydrophobicContact CG-CG2 4.23Å
424	N	80.7	Confident	79.4	Confident	61 Å²	61	61.3 Å²	61.3	33%	0.326	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	3.5	176.6	66.4	5.2	0	0	0	114.5	C422 Q426 V438	C422-N424 VanDerWaalsContact CB-OD1 3.31Å; C422-N424 WeakPolarHBondContact CB-OD1 3.38Å; C422-N424 PolarHBondContact O-N 2.75Å; C422-N424 VanDerWaalsContact O-N 3.13Å; N424-Q426 VanDerWaalsContact C-N 3.29Å; N424-Q426 PolarHBondContact O-N 3.08Å; N424-Q426 VanDerWaalsContact OD1-CB 3.28Å; N424-Q426 WeakPolarHBondContact OD1-CB 3.4Å; N424-Q426 WeakPolarHBondContact OD1-CG 3.49Å; N424-Q426 PolarHBondContact OD1-N 3.17Å; N424-V438 HydrophobicContact CB-CG1 4.32Å; N424-V438 HydrophobicContact CB-CG2 4.01Å
425	G	78.9	Confident	80.3	Confident	48 Å²	48	62.9 Å²	62.9	50%	0.495	36%	0.364	S	S	.	.	S	Bend	trans	78.6	3.1	-179.6	0	0	0	0	0	115.2	C422 P423	C422-G425 PolarHBondContact O-N 2.83Å; P423-G425 PolarHBondContact O-N 2.87Å
426	Q	81.1	Confident	81.1	Confident	98 Å²	98	62.5 Å²	62.5	46%	0.458	36%	0.359	S	S	.	.	S	Bend	trans	-77.6	157.9	173.8	-62.3	-169.7	21.9	0	0	111.8	L421 C422 N424 N428 I444	L421-Q426 CarbonylContact C-O 3.56Å; L421-Q426 VanDerWaalsContact CA-O 3.28Å; L421-Q426 WeakPolarHBondContact CA-O 3.5Å; C422-Q426 PolarHBondContact N-O 3.35Å; N424-Q426 VanDerWaalsContact C-N 3.29Å; N424-Q426 PolarHBondContact O-N 3.08Å; N424-Q426 VanDerWaalsContact OD1-CB 3.28Å; N424-Q426 WeakPolarHBondContact OD1-CB 3.4Å; N424-Q426 WeakPolarHBondContact OD1-CG 3.49Å; N424-Q426 PolarHBondContact OD1-N 3.17Å; Q426-N428 PolarHBondContact O-N 2.87Å; Q426-I444 HydrophobicContact CB-CD1 3.95Å
427	P	81.6	Confident	81.7	Confident	89 Å²	89	64.6 Å²	64.6	58%	0.578	37%	0.368	S	S	*	.	B	Isolated β-bridge	trans	-58.8	129.7	173.7	-21	33	0	0	0	111.3	T419 P429	T419-P427 HydrophobicContact CG2-CB 4.34Å; P427-P429 VanDerWaalsContact O-CD 3.28Å; P427-P429 WeakPolarHBondContact O-CD 3.49Å
428	N	83.6	Confident	82.5	Confident	23 Å²	23	61.6 Å²	61.6	12%	0.123	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-72.3	116.9	178.7	-174.6	-21.5	0	0	0	110.5	R420 C422 Q426 C430	R420-N428 HydrophobicContact CB-CB 3.87Å; R420-N428 WeakPolarHBondContact O-CB 3.04Å; R420-N428 PolarHBondContact O-N 2.91Å; C422-N428 VanDerWaalsContact SG-CA 3.56Å; Q426-N428 PolarHBondContact O-N 2.87Å; N428-C430 WeakPolarHBondContact OD1-CA 3.38Å; N428-C430 WeakPolarHBondContact OD1-CB 3.46Å; N428-C430 PolarHBondContact OD1-N 2.98Å; N428-C430 PolarHBondContact OD1-SG 2.92Å
429	P	86.9	Confident	83.7	Confident	66 Å²	66	60.7 Å²	60.7	43%	0.429	34%	0.341	S	S	.	.			trans	-87.4	-6.4	179.3	36.6	-33.9	0	0	0	113.7	P427 I444 Y457	P427-P429 VanDerWaalsContact O-CD 3.28Å; P427-P429 WeakPolarHBondContact O-CD 3.49Å; P429-I444 HydrophobicContact CG-CG2 3.69Å; P429-Y457 HydrophobicContact CB-CE1 4.24Å; P429-Y457 HydrophobicContact CG-CE1 4.25Å
430	C	89.8	Confident	84.2	Confident	19 Å²	19	66 Å²	66	13%	0.128	36%	0.357	C	S	.	.	S	Bend	trans	-77.4	164.2	-172.4	-46.9	0	0	0	0	112.9	N428 C446	N428-C430 WeakPolarHBondContact OD1-CA 3.38Å; N428-C430 WeakPolarHBondContact OD1-CB 3.46Å; N428-C430 PolarHBondContact OD1-N 2.98Å; N428-C430 PolarHBondContact OD1-SG 2.92Å; C430-C446 WeakPolarHBondContact CA-SG 3.49Å; C430-C446 HydrophobicContact CB-CB 3.65Å; C430-C446 WeakPolarHBondContact CB-SG 3.31Å; C430-C446 VanDerWaalsContact SG-CA 3.53Å; C430-C446 WeakPolarHBondContact SG-CB 3.48Å; C430-C446 CovalentContact SG-SG 2.03Å; C430-C446 PolarHBondContact SG-SG 2.97Å
431	D	90.6	Very high	84.3	Confident	40 Å²	40	64.6 Å²	64.6	21%	0.214	36%	0.359	C	S	.	.			trans	-56.9	160.7	173.7	-172.6	-99.5	0	0	0	111.7	N433 G434 G456 C459	D431-N433 PolarHBondContact O-N 2.91Å; D431-N433 PolarHBondContact OD1-N 3.43Å; D431-N433 PolarHBondContact OD1-ND2 2.85Å; D431-G434 WeakPolarHBondContact O-CA 3.37Å; D431-G434 PolarHBondContact O-N 3.37Å; D431-G456 PolarHBondContact N-O 2.92Å; D431-C459 HydrophobicContact CB-CB 4.06Å
432	V	86	Confident	84	Confident	112 Å²	112	61.2 Å²	61.2	68%	0.679	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.2	175.7	-58	0	0	0	0	112.8	R420	R420-V432 PolarHBondContact NH1-O 3.17Å
433	N	90.7	Very high	83.9	Confident	51 Å²	51	63 Å²	63	27%	0.273	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3.5	174.1	-54.1	-59.6	0	0	0	112.6	D431 G449 W452 C459	D431-N433 PolarHBondContact O-N 2.91Å; D431-N433 PolarHBondContact OD1-N 3.43Å; D431-N433 PolarHBondContact OD1-ND2 2.85Å; N433-G449 PolarHBondContact O-N 2.86Å; N433-W452 HydrophobicContact CB-CB 4.41Å; N433-W452 HydrophobicContact CB-CD2 3.61Å; N433-W452 HydrophobicContact CB-CE3 4.06Å; N433-W452 HydrophobicContact CB-CG 3.72Å; N433-W452 HydrophobicContact CB-CZ2 4.43Å; N433-W452 VanDerWaalsContact CG-CE2 3.43Å; N433-W452 WeakPolarHBondContact ND2-CZ3 3.36Å; N433-W452 WeakPolarHBondContact OD1-CZ2 3.31Å; N433-C459 HydrophobicContact CB-CB 4.17Å
434	G	90.5	Very high	84	Confident	3 Å²	3	59.2 Å²	59.2	3%	0.031	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	153.2	172.7	0	0	0	0	0	112.9	R420 D431 V447	R420-G434 PolarHBondContact NH1-O 3.24Å; R420-G434 PolarHBondContact NH2-O 3.29Å; R420-G434 VanDerWaalsContact NH2-O 3.09Å; D431-G434 WeakPolarHBondContact O-CA 3.37Å; D431-G434 PolarHBondContact O-N 3.37Å; G434-V447 CarbonylContact C-O 3.01Å; G434-V447 WeakPolarHBondContact CA-O 3.4Å
435	E	90.9	Very high	84.3	Confident	126 Å²	126	57.6 Å²	57.6	59%	0.589	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.7	167.4	-173.8	159.3	-161.6	0	0	109.8	C446 V447	E435-C446 WeakPolarHBondContact O-CA 3.35Å; E435-V447 PolarHBondContact N-O 3.22Å; E435-V447 PolarHBondContact O-N 2.85Å
436	C	89.8	Confident	84.9	Confident	8 Å²	8	55.9 Å²	55.9	5%	0.054	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	114.8	178.5	177.9	0	0	0	0	108.9	C422 I444	C422-C436 HydrophobicContact CB-CB 4.01Å; C422-C436 WeakPolarHBondContact CB-SG 3.26Å; C422-C436 WeakPolarHBondContact SG-CB 3.25Å; C422-C436 CovalentContact SG-SG 2.02Å; C422-C436 PolarHBondContact SG-SG 2.81Å; C436-I444 WeakPolarHBondContact SG-CG2 3.16Å
437	I	87.6	Confident	85.4	Confident	58 Å²	58	54.6 Å²	54.6	30%	0.297	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.9	177.3	-54.8	-178.8	0	0	0	107.4	S445 V447	I437-S445 WeakPolarHBondContact CB-OG 2.93Å; I437-S445 PolarHBondContact N-O 2.95Å; I437-S445 PolarHBondContact O-N 2.78Å; I437-V447 HydrophobicContact CD1-CB 4.02Å; I437-V447 HydrophobicContact CD1-CG2 3.52Å; I437-V447 HydrophobicContact CG1-CG2 4.41Å
438	V	84.9	Confident	86	Confident	49 Å²	49	51.2 Å²	51.2	30%	0.297	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.3	175.1	-177.7	0	0	0	0	106.5	C422 P423 N424 S443	C422-V438 HydrophobicContact CB-CG2 4.5Å; P423-V438 HydrophobicContact CB-CG2 4.14Å; P423-V438 HydrophobicContact CG-CG2 4.23Å; N424-V438 HydrophobicContact CB-CG1 4.32Å; N424-V438 HydrophobicContact CB-CG2 4.01Å; V438-S443 WeakPolarHBondContact CA-O 3.48Å
439	E	82.7	Confident	86.4	Confident	26 Å²	26	51.1 Å²	51.1	12%	0.121	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-78.4	170.4	179.5	-58.3	-57.4	161.7	0	0	111.4	D441 G442 S443 S445	E439-D441 VanDerWaalsContact C-N 3.3Å; E439-D441 WeakPolarHBondContact CB-OD1 3.4Å; E439-D441 PolarHBondContact O-N 2.7Å; E439-G442 WeakPolarHBondContact O-CA 3.48Å; E439-G442 PolarHBondContact O-N 3.06Å; E439-S443 PolarHBondContact N-O 2.85Å; E439-S445 VanDerWaalsContact OE1-CB 3.25Å; E439-S445 WeakPolarHBondContact OE1-CB 3.38Å; E439-S445 PolarHBondContact OE1-OG 2.92Å
440	R	73.9	Confident	86.8	Confident	154 Å²	154	50.2 Å²	50.2	58%	0.581	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-38.9	-178.2	-68.7	-175.8	-180	-141.9	-0.6	112.5	G442 E715	R440-G442 PolarHBondContact O-N 2.63Å; R440-G442 VanDerWaalsContact O-N 3.16Å; R440-E715 IonicContact CZ-OE1 2.86Å; R440-E715 IonicContact NH1-OE1 3.24Å; R440-E715 PolarHBondContact NH1-OE1 2.72Å; R440-E715 IonicContact NH2-OE1 3.56Å; R440-E715 PolarHBondContact NH2-OE1 3.25Å
441	D	71.8	Confident	87	Confident	100 Å²	100	49.5 Å²	49.5	54%	0.535	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-3.1	175.5	73.4	-17.7	0	0	0	113.5	E439 S443	E439-D441 VanDerWaalsContact C-N 3.3Å; E439-D441 WeakPolarHBondContact CB-OD1 3.4Å; E439-D441 PolarHBondContact O-N 2.7Å; D441-S443 VanDerWaalsContact C-N 3.26Å; D441-S443 PolarHBondContact O-N 2.88Å; D441-S443 WeakPolarHBondContact OD1-CA 3.26Å; D441-S443 WeakPolarHBondContact OD1-CB 3.47Å; D441-S443 PolarHBondContact OD1-N 3.07Å; D441-S443 PolarHBondContact OD1-OG 3.1Å; D441-S443 WeakPolarHBondContact OD2-CB 3.24Å; D441-S443 PolarHBondContact OD2-OG 2.88Å
442	G	74.4	Confident	87.2	Confident	36 Å²	36	51.3 Å²	51.3	37%	0.371	28%	0.282	S	S	.	.	S	Bend	trans	78.9	4.7	-176.9	0	0	0	0	0	114.3	E439 R440	E439-G442 WeakPolarHBondContact O-CA 3.48Å; E439-G442 PolarHBondContact O-N 3.06Å; R440-G442 PolarHBondContact O-N 2.63Å; R440-G442 VanDerWaalsContact O-N 3.16Å
443	S	82.2	Confident	87.8	Confident	44 Å²	44	46.1 Å²	46.1	31%	0.308	25%	0.251	S	S	.	.			trans	-68	163.7	169.5	75.5	0	0	0	0	111.2	V438 E439 D441	V438-S443 WeakPolarHBondContact CA-O 3.48Å; E439-S443 PolarHBondContact N-O 2.85Å; D441-S443 VanDerWaalsContact C-N 3.26Å; D441-S443 PolarHBondContact O-N 2.88Å; D441-S443 WeakPolarHBondContact OD1-CA 3.26Å; D441-S443 WeakPolarHBondContact OD1-CB 3.47Å; D441-S443 PolarHBondContact OD1-N 3.07Å; D441-S443 PolarHBondContact OD1-OG 3.1Å; D441-S443 WeakPolarHBondContact OD2-CB 3.24Å; D441-S443 PolarHBondContact OD2-OG 2.88Å
444	I	84.7	Confident	87.9	Confident	33 Å²	33	44.2 Å²	44.2	17%	0.169	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.6	-179.6	-69.4	166.7	0	0	0	107.9	C422 Q426 P429 C436	C422-I444 HydrophobicContact CB-CD1 4.46Å; Q426-I444 HydrophobicContact CB-CD1 3.95Å; P429-I444 HydrophobicContact CG-CG2 3.69Å; C436-I444 WeakPolarHBondContact SG-CG2 3.16Å
445	S	88.6	Confident	88	Confident	26 Å²	26	45.7 Å²	45.7	18%	0.182	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	153.9	166.7	74.9	0	0	0	0	109.8	I437 E439	I437-S445 WeakPolarHBondContact CB-OG 2.93Å; I437-S445 PolarHBondContact N-O 2.95Å; I437-S445 PolarHBondContact O-N 2.78Å; E439-S445 VanDerWaalsContact OE1-CB 3.25Å; E439-S445 WeakPolarHBondContact OE1-CB 3.38Å; E439-S445 PolarHBondContact OE1-OG 2.92Å
446	C	90.4	Very high	88	Confident	12 Å²	12	39.7 Å²	39.7	8%	0.081	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.8	179	-66.7	0	0	0	0	108.8	C430 E435 Y457	C430-C446 WeakPolarHBondContact CA-SG 3.49Å; C430-C446 HydrophobicContact CB-CB 3.65Å; C430-C446 WeakPolarHBondContact CB-SG 3.31Å; C430-C446 VanDerWaalsContact SG-CA 3.53Å; C430-C446 WeakPolarHBondContact SG-CB 3.48Å; C430-C446 CovalentContact SG-SG 2.03Å; C430-C446 PolarHBondContact SG-SG 2.97Å; E435-C446 WeakPolarHBondContact O-CA 3.35Å; C446-Y457 HydrophobicContact CB-CD1 4.39Å; C446-Y457 HydrophobicContact CB-CD2 4.28Å; C446-Y457 HydrophobicContact CB-CE1 4.27Å; C446-Y457 HydrophobicContact CB-CE2 4.13Å; C446-Y457 HydrophobicContact CB-CG 4.4Å; C446-Y457 WeakPolarHBondContact SG-CE1 3.29Å
447	V	92	Very high	88	Confident	71 Å²	71	44.8 Å²	44.8	43%	0.43	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.2	176	-178.9	0	0	0	0	108.2	G434 E435 I437	G434-V447 CarbonylContact C-O 3.01Å; G434-V447 WeakPolarHBondContact CA-O 3.4Å; E435-V447 PolarHBondContact N-O 3.22Å; E435-V447 PolarHBondContact O-N 2.85Å; I437-V447 HydrophobicContact CD1-CB 4.02Å; I437-V447 HydrophobicContact CD1-CG2 3.52Å; I437-V447 HydrophobicContact CG1-CG2 4.41Å
448	C	93.6	Very high	88.3	Confident	18 Å²	18	45.5 Å²	45.5	12%	0.122	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	137.6	175.9	-65.6	0	0	0	0	110.3	W452 A453 G456 C459	C448-W452 HydrophobicContact CB-CB 4.1Å; C448-W452 WeakPolarHBondContact CB-O 3.12Å; C448-A453 VanDerWaalsContact SG-C 3.58Å; C448-G456 PolarHBondContact SG-N 2.99Å; C448-G456 VanDerWaalsContact SG-N 3.41Å; C448-C459 WeakPolarHBondContact CA-SG 3.48Å; C448-C459 HydrophobicContact CB-CB 3.93Å; C448-C459 WeakPolarHBondContact CB-SG 3.33Å; C448-C459 VanDerWaalsContact SG-CA 3.52Å; C448-C459 WeakPolarHBondContact SG-CB 3.32Å; C448-C459 CovalentContact SG-SG 2.05Å; C448-C459 PolarHBondContact SG-SG 2.76Å
449	G	92.9	Very high	88.8	Confident	21 Å²	21	43.9 Å²	43.9	22%	0.216	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-69	161.6	175.7	0	0	0	0	0	112	N433 G451 W452	N433-G449 PolarHBondContact O-N 2.86Å; G449-G451 PolarHBondContact O-N 3.18Å; G449-W452 WeakPolarHBondContact O-CA 3.26Å; G449-W452 VanDerWaalsContact O-CB 3.32Å; G449-W452 WeakPolarHBondContact O-CB 3.48Å; G449-W452 PolarHBondContact O-N 3.26Å
450	I	94.2	Very high	89.3	Confident	47 Å²	47	43 Å²	43	24%	0.241	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	133.8	-177.5	-58.1	170.6	0	0	0	111.8	W452 I465 R876 Y893 S896	I450-W452 VanDerWaalsContact C-N 3.33Å; I450-I465 HydrophobicContact CG2-CG2 4.18Å; I450-R876 HydrophobicContact CD1-CG 4.09Å; I450-R876 HydrophobicContact CG1-CG 4.28Å; I450-R876 HydrophobicContact CG2-CB 3.61Å; I450-R876 HydrophobicContact CG2-CG 3.93Å; I450-Y893 HydrophobicContact CD1-CD1 4.11Å; I450-Y893 HydrophobicContact CD1-CD2 3.47Å; I450-Y893 VanDerWaalsContact CD1-CD2 3.47Å; I450-Y893 HydrophobicContact CD1-CE1 4.08Å; I450-Y893 HydrophobicContact CD1-CE2 3.43Å; I450-Y893 VanDerWaalsContact CD1-CE2 3.43Å; I450-Y893 HydrophobicContact CD1-CG 3.83Å; I450-Y893 HydrophobicContact CG2-CG 4.19Å; I450-S896 VanDerWaalsContact O-CA 3.27Å; I450-S896 WeakPolarHBondContact O-CA 3.11Å; I450-S896 WeakPolarHBondContact O-CB 3.36Å
451	G	94.4	Very high	90.4	Very high	5 Å²	5	40.8 Å²	40.8	5%	0.052	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	11.1	-172.8	0	0	0	0	0	113.8	G449 D462	G449-G451 PolarHBondContact O-N 3.18Å; G451-D462 CarbonylContact C-O 3.57Å; G451-D462 PolarHBondContact O-N 3.37Å
452	W	96.1	Very high	91.6	Very high	78 Å²	78	36.3 Å²	36.3	30%	0.295	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.7	172.1	-52.7	84	0	0	0	110.3	N433 C448 G449 I450 C459 G460 K461	N433-W452 HydrophobicContact CB-CB 4.41Å; N433-W452 HydrophobicContact CB-CD2 3.61Å; N433-W452 HydrophobicContact CB-CE3 4.06Å; N433-W452 HydrophobicContact CB-CG 3.72Å; N433-W452 HydrophobicContact CB-CZ2 4.43Å; N433-W452 VanDerWaalsContact CG-CE2 3.43Å; N433-W452 WeakPolarHBondContact ND2-CZ3 3.36Å; N433-W452 WeakPolarHBondContact OD1-CZ2 3.31Å; C448-W452 HydrophobicContact CB-CB 4.1Å; C448-W452 WeakPolarHBondContact CB-O 3.12Å; G449-W452 WeakPolarHBondContact O-CA 3.26Å; G449-W452 VanDerWaalsContact O-CB 3.32Å; G449-W452 WeakPolarHBondContact O-CB 3.48Å; G449-W452 PolarHBondContact O-N 3.26Å; I450-W452 VanDerWaalsContact C-N 3.33Å; W452-C459 HydrophobicContact CB-CB 4.17Å; W452-G460 CarbonylContact C-O 3.51Å; W452-G460 WeakPolarHBondContact CA-O 3.5Å; W452-G460 VanDerWaalsContact CB-O 3.3Å; W452-G460 WeakPolarHBondContact CB-O 3.32Å; W452-G460 VanDerWaalsContact CE3-C 3.4Å; W452-K461 HydrophobicContact CE3-CB 4.31Å; W452-K461 HydrophobicContact CZ3-CB 4.11Å
453	A	96.6	Very high	92.7	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.025	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.1	-179.2	0	0	0	0	0	111.3	C448 C459 G460 D462 A467 Y468 P469 L473	C448-A453 VanDerWaalsContact SG-C 3.58Å; A453-C459 CarbonylContact O-C 3.42Å; A453-C459 WeakPolarHBondContact O-CA 3.46Å; A453-G460 PolarHBondContact N-O 3.2Å; A453-G460 PolarHBondContact O-N 3.04Å; A453-D462 HydrophobicContact CB-CB 3.73Å; A453-A467 VanDerWaalsContact CB-C 3.43Å; A453-A467 WeakPolarHBondContact CB-O 3.27Å; A453-Y468 VanDerWaalsContact CB-C 3.45Å; A453-P469 HydrophobicContact CB-CB 4.16Å; A453-L473 WeakPolarHBondContact O-CD1 3.49Å
454	G	94.5	Very high	93.4	Very high	10 Å²	10	34.8 Å²	34.8	10%	0.103	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.3	-168	-174.5	0	0	0	0	0	112.2	G456 N479	G454-G456 VanDerWaalsContact C-N 3.27Å; G454-G456 PolarHBondContact O-N 2.73Å; G454-N479 WeakPolarHBondContact CA-O 3.45Å; G454-N479 PolarHBondContact N-O 3.15Å; G454-N479 PolarHBondContact O-ND2 2.88Å; G454-N479 VanDerWaalsContact O-ND2 3.1Å
455	N	91.7	Very high	94	Very high	34 Å²	34	33.5 Å²	33.5	18%	0.182	18%	0.178	C	C	.	.	S	Bend	trans	-87.9	13.2	-176.4	71.5	3	0	0	0	114.3	Y457 E458 C475 D477	N455-Y457 WeakPolarHBondContact O-CD2 3.38Å; N455-Y457 PolarHBondContact O-N 2.76Å; N455-Y457 VanDerWaalsContact O-N 3.09Å; N455-Y457 PolarHBondContact OD1-N 3.5Å; N455-Y457 VanDerWaalsContact OD1-N 3.09Å; N455-E458 PolarHBondContact N-O 3.11Å; N455-E458 PolarHBondContact OD1-N 2.77Å; N455-C475 VanDerWaalsContact ND2-CB 3.3Å; N455-C475 WeakPolarHBondContact ND2-CB 3.01Å; N455-D477 HydrophobicContact CB-CB 4.18Å; N455-D477 WeakPolarHBondContact CB-OD2 3.29Å; N455-D477 PolarHBondContact ND2-OD2 2.92Å
456	G	91.1	Very high	94.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	80	-26.6	-178.6	0	0	0	0	0	115.4	D431 C448 G454	D431-G456 PolarHBondContact N-O 2.92Å; C448-G456 PolarHBondContact SG-N 2.99Å; C448-G456 VanDerWaalsContact SG-N 3.41Å; G454-G456 VanDerWaalsContact C-N 3.27Å; G454-G456 PolarHBondContact O-N 2.73Å
457	Y	90.1	Very high	94.6	Very high	115 Å²	115	33.3 Å²	33.3	45%	0.451	18%	0.179	S	C	.	.	S	Bend	trans	-86.2	-31.2	172.9	-63.1	-82.1	0	0	0	112.1	P429 C446 N455	P429-Y457 HydrophobicContact CB-CE1 4.24Å; P429-Y457 HydrophobicContact CG-CE1 4.25Å; C446-Y457 HydrophobicContact CB-CD1 4.39Å; C446-Y457 HydrophobicContact CB-CD2 4.28Å; C446-Y457 HydrophobicContact CB-CE1 4.27Å; C446-Y457 HydrophobicContact CB-CE2 4.13Å; C446-Y457 HydrophobicContact CB-CG 4.4Å; C446-Y457 WeakPolarHBondContact SG-CE1 3.29Å; N455-Y457 WeakPolarHBondContact O-CD2 3.38Å; N455-Y457 PolarHBondContact O-N 2.76Å; N455-Y457 VanDerWaalsContact O-N 3.09Å; N455-Y457 PolarHBondContact OD1-N 3.5Å; N455-Y457 VanDerWaalsContact OD1-N 3.09Å
458	E	93.3	Very high	94.8	Very high	73 Å²	73	32.1 Å²	32.1	34%	0.341	17%	0.167	S	C	.	.	S	Bend	trans	-125.1	122.2	165.5	-63.8	-166.4	176.3	0	0	108.3	N455 V474	N455-E458 PolarHBondContact N-O 3.11Å; N455-E458 PolarHBondContact OD1-N 2.77Å; E458-V474 WeakPolarHBondContact OE2-CA 3.36Å; E458-V474 VanDerWaalsContact OE2-CB 3.28Å; E458-V474 WeakPolarHBondContact OE2-CB 3.44Å; E458-V474 PolarHBondContact OE2-N 3.19Å
459	C	94.8	Very high	95	Very high	16 Å²	16	31.3 Å²	31.3	11%	0.108	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124	-179.8	-64.3	0	0	0	0	110.7	D431 N433 C448 W452 A453	D431-C459 HydrophobicContact CB-CB 4.06Å; N433-C459 HydrophobicContact CB-CB 4.17Å; C448-C459 WeakPolarHBondContact CA-SG 3.48Å; C448-C459 HydrophobicContact CB-CB 3.93Å; C448-C459 WeakPolarHBondContact CB-SG 3.33Å; C448-C459 VanDerWaalsContact SG-CA 3.52Å; C448-C459 WeakPolarHBondContact SG-CB 3.32Å; C448-C459 CovalentContact SG-SG 2.05Å; C448-C459 PolarHBondContact SG-SG 2.76Å; W452-C459 HydrophobicContact CB-CB 4.17Å; A453-C459 CarbonylContact O-C 3.42Å; A453-C459 WeakPolarHBondContact O-CA 3.46Å
460	G	95.2	Very high	95.2	Very high	8 Å²	8	31.2 Å²	31.2	8%	0.082	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	159.9	173.7	0	0	0	0	0	111.3	W452 A453 L473	W452-G460 CarbonylContact C-O 3.51Å; W452-G460 WeakPolarHBondContact CA-O 3.5Å; W452-G460 VanDerWaalsContact CB-O 3.3Å; W452-G460 WeakPolarHBondContact CB-O 3.32Å; W452-G460 VanDerWaalsContact CE3-C 3.4Å; A453-G460 PolarHBondContact N-O 3.2Å; A453-G460 PolarHBondContact O-N 3.04Å; G460-L473 VanDerWaalsContact N-CD1 3.34Å
461	K	96.5	Very high	95.2	Very high	107 Å²	107	34.1 Å²	34.1	47%	0.465	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	137	175	-177.6	171.1	162.7	-71.5	0	109.2	W452 T463 P469 D470	W452-K461 HydrophobicContact CE3-CB 4.31Å; W452-K461 HydrophobicContact CZ3-CB 4.11Å; K461-T463 PolarHBondContact NZ-OG1 3.25Å; K461-P469 WeakPolarHBondContact O-CA 3.45Å; K461-D470 IonicContact NZ-OD2 3.2Å; K461-D470 PolarHBondContact NZ-OD2 3.29Å; K461-D470 VanDerWaalsContact O-CG 3.25Å; K461-D470 PolarHBondContact O-N 3.34Å
462	D	97.4	Very high	95.3	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.027	20%	0.196	C	C	.	.			trans	-124.9	111.4	178.1	172.6	-3.9	0	0	0	106.6	G451 A453 I465 D466 A467	G451-D462 CarbonylContact C-O 3.57Å; G451-D462 PolarHBondContact O-N 3.37Å; A453-D462 HydrophobicContact CB-CB 3.73Å; D462-I465 WeakPolarHBondContact OD1-CA 3.36Å; D462-I465 PolarHBondContact OD1-N 2.61Å; D462-I465 WeakPolarHBondContact OD2-CA 3.21Å; D462-D466 PolarHBondContact OD1-N 3.23Å; D462-D466 PolarHBondContact OD2-N 3.37Å; D462-A467 PolarHBondContact OD2-N 2.87Å; D462-A467 VanDerWaalsContact OD2-N 3.13Å
463	T	96.3	Very high	95.2	Very high	47 Å²	47	36.8 Å²	36.8	29%	0.288	19%	0.19	S	C	.	.	S	Bend	trans	-81.2	-42.1	-169.2	-65.4	0	0	0	0	112.5	K461 D470 F487	K461-T463 PolarHBondContact NZ-OG1 3.25Å; T463-D470 VanDerWaalsContact CB-OD1 3.27Å; T463-D470 WeakPolarHBondContact CB-OD1 3.45Å; T463-D470 PolarHBondContact N-OD1 2.95Å; T463-D470 PolarHBondContact OG1-OD1 2.86Å; T463-D470 PolarHBondContact OG1-OD2 2.79Å; T463-F487 HydrophobicContact CG2-CD1 4Å; T463-F487 HydrophobicContact CG2-CE1 4.24Å
464	D	96.8	Very high	95.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.011	23%	0.226	C	C	.	.	S	Bend	trans	-104.4	-0	-174.4	55.6	-1.2	0	0	0	113.2	C485 F487 V488 P489 T778 S874	D464-C485 VanDerWaalsContact OD2-O 3.12Å; D464-F487 VanDerWaalsContact OD2-C 3.28Å; D464-F487 WeakPolarHBondContact OD2-CA 3.29Å; D464-F487 PolarHBondContact OD2-N 2.98Å; D464-V488 PolarHBondContact OD2-N 2.73Å; D464-P489 HydrophobicContact CB-CG 3.98Å; D464-P489 WeakPolarHBondContact O-CG 3.2Å; D464-T778 VanDerWaalsContact O-CG2 3.25Å; D464-T778 WeakPolarHBondContact O-CG2 3.43Å; D464-S874 VanDerWaalsContact CA-OG 3.26Å; D464-S874 WeakPolarHBondContact CA-OG 3.42Å; D464-S874 WeakPolarHBondContact CB-OG 3.32Å; D464-S874 WeakPolarHBondContact O-CB 3.44Å; D464-S874 PolarHBondContact O-OG 3.34Å
465	I	96.8	Very high	94.9	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	23%	0.229	C	C	.	.			trans	67.8	39.6	164.1	-36.1	174.6	0	0	0	112.3	I450 D462 T778 R876	I450-I465 HydrophobicContact CG2-CG2 4.18Å; D462-I465 WeakPolarHBondContact OD1-CA 3.36Å; D462-I465 PolarHBondContact OD1-N 2.61Å; D462-I465 WeakPolarHBondContact OD2-CA 3.21Å; I465-T778 HydrophobicContact CB-CG2 4.02Å; I465-T778 WeakPolarHBondContact O-CB 3.36Å; I465-T778 PolarHBondContact O-OG1 2.97Å; I465-R876 HydrophobicContact CD1-CB 4.4Å; I465-R876 HydrophobicContact CG2-CB 4.21Å; I465-R876 HydrophobicContact CG2-CG 4.45Å
466	D	96.3	Very high	94.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.264	C	S	.	.	S	Bend	trans	-102.3	5.6	-178.7	76.8	-5.1	0	0	0	113.9	D462 Y468 P489 N490 S491	D462-D466 PolarHBondContact OD1-N 3.23Å; D462-D466 PolarHBondContact OD2-N 3.37Å; D466-Y468 PolarHBondContact OD1-N 3.3Å; D466-P489 HydrophobicContact CB-CB 4.01Å; D466-N490 PolarHBondContact OD2-N 2.98Å; D466-N490 PolarHBondContact OD2-OD1 3.33Å; D466-S491 VanDerWaalsContact O-CB 3.27Å; D466-S491 WeakPolarHBondContact O-CB 3.37Å
467	A	95.3	Very high	94.8	Very high	34 Å²	34	57.2 Å²	57.2	28%	0.281	28%	0.284	S	S	.	.	S	Bend	trans	79	12.2	-176.6	0	0	0	0	0	116.5	A453 D462 N929	A453-A467 VanDerWaalsContact CB-C 3.43Å; A453-A467 WeakPolarHBondContact CB-O 3.27Å; D462-A467 PolarHBondContact OD2-N 2.87Å; D462-A467 VanDerWaalsContact OD2-N 3.13Å; A467-N929 WeakPolarHBondContact CB-ND2 3.29Å
468	Y	97.1	Very high	94.7	Very high	46 Å²	46	57.4 Å²	57.4	18%	0.18	29%	0.293	C	S	.	.			trans	-110.8	137.5	166.5	-70.9	-93.9	0	0	0	111.8	A453 D466 N478 S491 Q493	A453-Y468 VanDerWaalsContact CB-C 3.45Å; D466-Y468 PolarHBondContact OD1-N 3.3Å; Y468-N478 WeakPolarHBondContact CE1-O 3.44Å; Y468-S491 WeakPolarHBondContact CE2-O 3.48Å; Y468-Q493 HydrophobicContact CD1-CG 3.77Å; Y468-Q493 HydrophobicContact CD2-CG 3.55Å; Y468-Q493 HydrophobicContact CE1-CG 3.6Å; Y468-Q493 HydrophobicContact CE2-CG 3.39Å; Y468-Q493 HydrophobicContact CG-CG 3.74Å
469	P	97.2	Very high	94.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.292	C	S	.	.			trans	-78.4	146.4	-178.2	29.8	-36.3	0	0	0	112.3	A453 K461 N471 L473 N479 N481 D483	A453-P469 HydrophobicContact CB-CB 4.16Å; K461-P469 WeakPolarHBondContact O-CA 3.45Å; P469-N471 PolarHBondContact O-N 2.78Å; P469-L473 HydrophobicContact CB-CD1 3.98Å; P469-L473 HydrophobicContact CB-CD2 4.44Å; P469-L473 HydrophobicContact CB-CG 4.1Å; P469-L473 HydrophobicContact CG-CD1 3.83Å; P469-L473 HydrophobicContact CG-CG 3.87Å; P469-N479 WeakPolarHBondContact CD-O 3.4Å; P469-N481 VanDerWaalsContact CD-O 3.23Å; P469-N481 WeakPolarHBondContact CD-O 3.25Å; P469-N481 WeakPolarHBondContact CG-O 3.36Å; P469-D483 PolarHBondContact O-N 2.9Å
470	D	96.9	Very high	94.5	Very high	20 Å²	20	55.9 Å²	55.9	11%	0.107	29%	0.287	C	S	.	.	S	Bend	trans	-51.6	-25.8	176	-63.7	-13.4	0	0	0	112.9	K461 T463 V486	K461-D470 IonicContact NZ-OD2 3.2Å; K461-D470 PolarHBondContact NZ-OD2 3.29Å; K461-D470 VanDerWaalsContact O-CG 3.25Å; K461-D470 PolarHBondContact O-N 3.34Å; T463-D470 VanDerWaalsContact CB-OD1 3.27Å; T463-D470 WeakPolarHBondContact CB-OD1 3.45Å; T463-D470 PolarHBondContact N-OD1 2.95Å; T463-D470 PolarHBondContact OG1-OD1 2.86Å; T463-D470 PolarHBondContact OG1-OD2 2.79Å; D470-V486 HydrophobicContact CB-CG1 4.29Å
471	N	95.9	Very high	94.5	Very high	108 Å²	108	59.1 Å²	59.1	58%	0.578	30%	0.302	S	S	*	.	S	Bend	trans	-142.8	151.1	-178.8	-61.5	-95.2	0	0	0	110.3	P469 L473	P469-N471 PolarHBondContact O-N 2.78Å; N471-L473 PolarHBondContact O-N 2.91Å
472	N	95.5	Very high	94.4	Very high	103 Å²	103	59.1 Å²	59.1	55%	0.551	30%	0.304	S	S	*	.			trans	-61	131.6	178.7	-164.9	17	0	0	0	112.4	C480 Q482	N472-C480 PolarHBondContact OD1-O 2.76Å; N472-C480 VanDerWaalsContact OD1-O 3.06Å; N472-Q482 HydrophobicContact CB-CB 4.16Å
473	L	95.1	Very high	94.5	Very high	35 Å²	35	59 Å²	59	18%	0.183	30%	0.303	C	S	.	.			trans	-97.9	171.5	-179.1	-54	178.7	0	0	0	112	A453 G460 P469 N471 C475 C480	A453-L473 WeakPolarHBondContact O-CD1 3.49Å; G460-L473 VanDerWaalsContact N-CD1 3.34Å; P469-L473 HydrophobicContact CB-CD1 3.98Å; P469-L473 HydrophobicContact CB-CD2 4.44Å; P469-L473 HydrophobicContact CB-CG 4.1Å; P469-L473 HydrophobicContact CG-CD1 3.83Å; P469-L473 HydrophobicContact CG-CG 3.87Å; N471-L473 PolarHBondContact O-N 2.91Å; L473-C475 PolarHBondContact O-N 3.48Å; L473-C480 HydrophobicContact CB-CB 4.07Å; L473-C480 PolarHBondContact N-O 3.41Å
474	V	93	Very high	94.5	Very high	129 Å²	129	58.1 Å²	58.1	78%	0.782	30%	0.296	S	S	*	.	S	Bend	trans	-93.7	42.9	-176.9	-163.5	0	0	0	0	110.5	E458	E458-V474 WeakPolarHBondContact OE2-CA 3.36Å; E458-V474 VanDerWaalsContact OE2-CB 3.28Å; E458-V474 WeakPolarHBondContact OE2-CB 3.44Å; E458-V474 PolarHBondContact OE2-N 3.19Å
475	C	90.8	Very high	94.5	Very high	24 Å²	24	58.3 Å²	58.3	16%	0.162	30%	0.298	C	S	.	.	S	Bend	trans	-125.2	165.2	174.4	35	0	0	0	0	111.5	N455 L473 C480	N455-C475 VanDerWaalsContact ND2-CB 3.3Å; N455-C475 WeakPolarHBondContact ND2-CB 3.01Å; L473-C475 PolarHBondContact O-N 3.48Å; C475-C480 HydrophobicContact CB-CB 3.93Å; C475-C480 WeakPolarHBondContact CB-SG 3.4Å; C475-C480 WeakPolarHBondContact SG-CB 3.21Å; C475-C480 CovalentContact SG-SG 2.01Å; C475-C480 PolarHBondContact SG-SG 2.75Å
476	R	89.1	Confident	94.5	Very high	245 Å²	245	59.7 Å²	59.7	93%	0.925	31%	0.306	S	S	*	.	S	Bend	trans	-96.6	-15	-174.9	-70.2	-175.4	179.9	175.3	1.3	113.3
477	D	91.1	Very high	94.5	Very high	78 Å²	78	66.7 Å²	66.7	42%	0.417	34%	0.337	S	S	.	.	S	Bend	trans	-69.8	150.3	-176.3	-53.2	-69.7	0	0	0	110.4	N455 N479 C480	N455-D477 HydrophobicContact CB-CB 4.18Å; N455-D477 WeakPolarHBondContact CB-OD2 3.29Å; N455-D477 PolarHBondContact ND2-OD2 2.92Å; D477-N479 VanDerWaalsContact C-N 3.28Å; D477-N479 WeakPolarHBondContact CB-OD1 3.33Å; D477-N479 PolarHBondContact O-N 2.82Å; D477-C480 WeakPolarHBondContact O-CB 3.34Å; D477-C480 PolarHBondContact O-N 3.07Å
478	N	88.3	Confident	94.6	Very high	120 Å²	120	66 Å²	66	64%	0.642	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-63.9	-35.6	-174.4	-73.9	-9.4	0	0	0	112.5	Y468 C480 N481	Y468-N478 WeakPolarHBondContact CE1-O 3.44Å; N478-C480 PolarHBondContact O-N 3.48Å; N478-N481 WeakPolarHBondContact O-CB 3.44Å; N478-N481 PolarHBondContact O-N 3.16Å; N478-N481 PolarHBondContact O-ND2 2.9Å
479	N	88.6	Confident	94.6	Very high	57 Å²	57	63.8 Å²	63.8	31%	0.305	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-67.3	1.3	174.8	62.6	1.5	0	0	0	114	G454 P469 D477	G454-N479 WeakPolarHBondContact CA-O 3.45Å; G454-N479 PolarHBondContact N-O 3.15Å; G454-N479 PolarHBondContact O-ND2 2.88Å; G454-N479 VanDerWaalsContact O-ND2 3.1Å; P469-N479 WeakPolarHBondContact CD-O 3.4Å; D477-N479 VanDerWaalsContact C-N 3.28Å; D477-N479 WeakPolarHBondContact CB-OD1 3.33Å; D477-N479 PolarHBondContact O-N 2.82Å
480	C	94.6	Very high	94.6	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-97.6	-13.3	171.6	-64.5	0	0	0	0	113.5	N472 L473 C475 D477 N478	N472-C480 PolarHBondContact OD1-O 2.76Å; N472-C480 VanDerWaalsContact OD1-O 3.06Å; L473-C480 HydrophobicContact CB-CB 4.07Å; L473-C480 PolarHBondContact N-O 3.41Å; C475-C480 HydrophobicContact CB-CB 3.93Å; C475-C480 WeakPolarHBondContact CB-SG 3.4Å; C475-C480 WeakPolarHBondContact SG-CB 3.21Å; C475-C480 CovalentContact SG-SG 2.01Å; C475-C480 PolarHBondContact SG-SG 2.75Å; D477-C480 WeakPolarHBondContact O-CB 3.34Å; D477-C480 PolarHBondContact O-N 3.07Å; N478-C480 PolarHBondContact O-N 3.48Å
481	N	95.3	Very high	94.6	Very high	75 Å²	75	63 Å²	63	40%	0.401	32%	0.317	S	S	.	.	S	Bend	trans	-67	150.7	177.9	-66	-41.2	0	0	0	110	P469 N478 D483	P469-N481 VanDerWaalsContact CD-O 3.23Å; P469-N481 WeakPolarHBondContact CD-O 3.25Å; P469-N481 WeakPolarHBondContact CG-O 3.36Å; N478-N481 WeakPolarHBondContact O-CB 3.44Å; N478-N481 PolarHBondContact O-N 3.16Å; N478-N481 PolarHBondContact O-ND2 2.9Å; N481-D483 PolarHBondContact O-N 2.9Å
482	Q	96	Very high	94.6	Very high	108 Å²	108	59 Å²	59	51%	0.505	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-61	137.8	175.4	179.6	176.4	-12.3	0	0	110.3	N472 N484	N472-Q482 HydrophobicContact CB-CB 4.16Å; Q482-N484 PolarHBondContact O-N 2.8Å
483	D	97.9	Very high	94.6	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.011	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-61.8	127.4	170.4	-177.1	7.2	0	0	0	112.3	P469 N481 C485 V486 Q493	P469-D483 PolarHBondContact O-N 2.9Å; N481-D483 PolarHBondContact O-N 2.9Å; D483-C485 VanDerWaalsContact C-N 3.31Å; D483-C485 PolarHBondContact OD1-N 2.84Å; D483-C485 VanDerWaalsContact OD2-C 3.31Å; D483-V486 HydrophobicContact CB-CG2 4.43Å; D483-V486 WeakPolarHBondContact OD2-CA 3.43Å; D483-V486 PolarHBondContact OD2-N 2.83Å; D483-Q493 PolarHBondContact OD1-NE2 3.19Å; D483-Q493 PolarHBondContact OD1-OE1 2.89Å
484	N	96.9	Very high	94.7	Very high	29 Å²	29	56.9 Å²	56.9	16%	0.155	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-9.3	177.3	65.7	-0.6	0	0	0	113.2	Q482 N490 Q493 G500 G502 C505	Q482-N484 PolarHBondContact O-N 2.8Å; N484-N490 PolarHBondContact OD1-ND2 3.14Å; N484-Q493 VanDerWaalsContact N-NE2 3.14Å; N484-Q493 PolarHBondContact ND2-O 3.01Å; N484-Q493 PolarHBondContact OD1-NE2 2.78Å; N484-Q493 VanDerWaalsContact OD1-NE2 3.09Å; N484-Q493 PolarHBondContact OD1-OE1 3.23Å; N484-G500 WeakPolarHBondContact CB-O 3.28Å; N484-G502 VanDerWaalsContact CG-CA 3.47Å; N484-G502 WeakPolarHBondContact ND2-CA 3.35Å; N484-G502 PolarHBondContact O-N 2.86Å; N484-C505 PolarHBondContact O-SG 3.36Å
485	C	97	Very high	94.8	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.034	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.2	51	174.3	-73.6	0	0	0	0	114.9	D464 D483 F487 V488 N490 G502 C505	D464-C485 VanDerWaalsContact OD2-O 3.12Å; D483-C485 VanDerWaalsContact C-N 3.31Å; D483-C485 PolarHBondContact OD1-N 2.84Å; D483-C485 VanDerWaalsContact OD2-C 3.31Å; C485-F487 PolarHBondContact O-N 2.85Å; C485-V488 PolarHBondContact O-N 2.91Å; C485-N490 VanDerWaalsContact CB-OD1 3.28Å; C485-N490 WeakPolarHBondContact CB-OD1 3.06Å; C485-G502 VanDerWaalsContact SG-C 3.56Å; C485-G502 WeakPolarHBondContact SG-CA 3.26Å; C485-G502 PolarHBondContact SG-N 3.13Å; C485-G502 VanDerWaalsContact SG-N 3.4Å; C485-G502 PolarHBondContact SG-O 3.14Å; C485-C505 WeakPolarHBondContact CA-SG 3.28Å; C485-C505 HydrophobicContact CB-CB 3.78Å; C485-C505 WeakPolarHBondContact CB-SG 3.11Å; C485-C505 WeakPolarHBondContact SG-CB 3.07Å; C485-C505 PolarHBondContact SG-N 2.86Å; C485-C505 CovalentContact SG-SG 2.03Å; C485-C505 PolarHBondContact SG-SG 3.1Å
486	V	96.8	Very high	95	Very high	34 Å²	34	53.6 Å²	53.6	21%	0.206	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-24.1	-23.6	178.8	-173	0	0	0	0	121	D470 D483	D470-V486 HydrophobicContact CB-CG1 4.29Å; D483-V486 HydrophobicContact CB-CG2 4.43Å; D483-V486 WeakPolarHBondContact OD2-CA 3.43Å; D483-V486 PolarHBondContact OD2-N 2.83Å
487	F	96.1	Very high	95.3	Very high	149 Å²	149	43.9 Å²	43.9	65%	0.654	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-3	-179.3	-57.2	-66.5	0	0	0	115	T463 D464 C485 H780	T463-F487 HydrophobicContact CG2-CD1 4Å; T463-F487 HydrophobicContact CG2-CE1 4.24Å; D464-F487 VanDerWaalsContact OD2-C 3.28Å; D464-F487 WeakPolarHBondContact OD2-CA 3.29Å; D464-F487 PolarHBondContact OD2-N 2.98Å; C485-F487 PolarHBondContact O-N 2.85Å; F487-H780 PolarHBondContact O-CE1 2.82Å
488	V	96.8	Very high	95.5	Very high	18 Å²	18	50.4 Å²	50.4	11%	0.109	25%	0.254	C	S	.	.	S	Bend	trans	-128.7	109.4	-177.3	179.3	0	0	0	0	106.7	D464 C485 N490 A504 C505 N782 I926	D464-V488 PolarHBondContact OD2-N 2.73Å; C485-V488 PolarHBondContact O-N 2.91Å; V488-N490 PolarHBondContact O-N 2.96Å; V488-N490 PolarHBondContact O-OD1 2.85Å; V488-N490 VanDerWaalsContact O-OD1 3.08Å; V488-A504 HydrophobicContact CG1-CB 4.08Å; V488-C505 HydrophobicContact CG2-CB 4.48Å; V488-N782 WeakPolarHBondContact CG1-ND2 3.01Å; V488-I926 HydrophobicContact CG1-CD1 3.95Å
489	P	97.9	Very high	95.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.			trans	-56.3	124.3	-178.1	-20.8	28.9	0	0	0	111	D464 D466 T778 H780 S874 I926 S928	D464-P489 HydrophobicContact CB-CG 3.98Å; D464-P489 WeakPolarHBondContact O-CG 3.2Å; D466-P489 HydrophobicContact CB-CB 4.01Å; P489-T778 HydrophobicContact CB-CG2 4.48Å; P489-T778 HydrophobicContact CG-CG2 4.25Å; P489-H780 WeakPolarHBondContact CD-ND1 3.13Å; P489-H780 HydrophobicContact CG-CB 3.63Å; P489-S874 WeakPolarHBondContact CG-OG 3.18Å; P489-I926 HydrophobicContact CB-CG2 4.3Å; P489-S928 VanDerWaalsContact CB-CB 3.45Å
490	N	97.1	Very high	96	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.011	26%	0.255	C	S	.	.			trans	-148.4	56.7	-179.9	67	-51.6	0	0	0	109.7	D466 N484 C485 V488 G492 Q493 A504 E752	D466-N490 PolarHBondContact OD2-N 2.98Å; D466-N490 PolarHBondContact OD2-OD1 3.33Å; N484-N490 PolarHBondContact OD1-ND2 3.14Å; C485-N490 VanDerWaalsContact CB-OD1 3.28Å; C485-N490 WeakPolarHBondContact CB-OD1 3.06Å; V488-N490 PolarHBondContact O-N 2.96Å; V488-N490 PolarHBondContact O-OD1 2.85Å; V488-N490 VanDerWaalsContact O-OD1 3.08Å; N490-G492 PolarHBondContact O-N 2.84Å; N490-Q493 PolarHBondContact ND2-OE1 2.82Å; N490-Q493 PolarHBondContact O-N 2.84Å; N490-Q493 PolarHBondContact O-OE1 2.84Å; N490-Q493 PolarHBondContact OD1-OE1 2.81Å; N490-A504 HydrophobicContact CB-CB 3.58Å; N490-E752 WeakPolarHBondContact CA-OE2 3.46Å
491	S	96.6	Very high	96.1	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-11.8	-170.5	58.5	0	0	0	0	117.1	D466 Y468 N748 E752 S928 N929	D466-S491 VanDerWaalsContact O-CB 3.27Å; D466-S491 WeakPolarHBondContact O-CB 3.37Å; Y468-S491 WeakPolarHBondContact CE2-O 3.48Å; S491-N748 VanDerWaalsContact CB-ND2 3.34Å; S491-N748 WeakPolarHBondContact CB-ND2 3.3Å; S491-N748 PolarHBondContact O-ND2 3.47Å; S491-N748 PolarHBondContact OG-ND2 3.33Å; S491-E752 PolarHBondContact N-OE2 2.88Å; S491-E752 PolarHBondContact OG-OE2 2.92Å; S491-S928 WeakPolarHBondContact CB-OG 3.37Å; S491-S928 PolarHBondContact OG-OG 3.28Å; S491-N929 PolarHBondContact OG-N 2.82Å
492	G	96	Very high	96.2	Very high	22 Å²	22	46.9 Å²	46.9	23%	0.227	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-13.1	170.9	0	0	0	0	0	114.7	N490 E494 N748	N490-G492 PolarHBondContact O-N 2.84Å; G492-E494 WeakPolarHBondContact CA-OE2 3.48Å; G492-E494 PolarHBondContact O-N 2.81Å; G492-N748 VanDerWaalsContact CA-CG 3.46Å
493	Q	96.6	Very high	96.2	Very high	32 Å²	32	42.9 Å²	42.9	15%	0.15	23%	0.232	C	C	.	.			trans	50.1	32.8	-175.5	-55.6	-61.3	88.5	0	0	113.3	Y468 D483 N484 N490 D495	Y468-Q493 HydrophobicContact CD1-CG 3.77Å; Y468-Q493 HydrophobicContact CD2-CG 3.55Å; Y468-Q493 HydrophobicContact CE1-CG 3.6Å; Y468-Q493 HydrophobicContact CE2-CG 3.39Å; Y468-Q493 HydrophobicContact CG-CG 3.74Å; D483-Q493 PolarHBondContact OD1-NE2 3.19Å; D483-Q493 PolarHBondContact OD1-OE1 2.89Å; N484-Q493 VanDerWaalsContact N-NE2 3.14Å; N484-Q493 PolarHBondContact ND2-O 3.01Å; N484-Q493 PolarHBondContact OD1-NE2 2.78Å; N484-Q493 VanDerWaalsContact OD1-NE2 3.09Å; N484-Q493 PolarHBondContact OD1-OE1 3.23Å; N490-Q493 PolarHBondContact ND2-OE1 2.82Å; N490-Q493 PolarHBondContact O-N 2.84Å; N490-Q493 PolarHBondContact O-OE1 2.84Å; N490-Q493 PolarHBondContact OD1-OE1 2.81Å; Q493-D495 PolarHBondContact O-N 2.7Å
494	E	95.8	Very high	96	Very high	62 Å²	62	44.8 Å²	44.8	29%	0.29	25%	0.248	S	C	.	.			trans	-58.4	135	176.4	-62.9	87.8	166.8	0	0	110.5	G492 G502 D503 N748	G492-E494 WeakPolarHBondContact CA-OE2 3.48Å; G492-E494 PolarHBondContact O-N 2.81Å; E494-G502 CarbonylContact O-C 3.46Å; E494-G502 VanDerWaalsContact O-CA 3.29Å; E494-G502 WeakPolarHBondContact O-CA 3.32Å; E494-D503 VanDerWaalsContact CB-OD2 3.32Å; E494-D503 WeakPolarHBondContact CB-OD2 2.99Å; E494-D503 PolarHBondContact O-N 2.93Å; E494-N748 PolarHBondContact OE1-N 2.93Å
495	D	96	Very high	95.9	Very high	36 Å²	36	46.1 Å²	46.1	19%	0.193	26%	0.259	C	S	.	.			trans	-154.2	91.1	-173.6	175.2	-3.2	0	0	0	106.8	Q493 R498 D499 G500 D503	Q493-D495 PolarHBondContact O-N 2.7Å; D495-R498 VanDerWaalsContact CG-CA 3.49Å; D495-R498 WeakPolarHBondContact OD1-CA 3.07Å; D495-R498 PolarHBondContact OD1-N 2.99Å; D495-R498 WeakPolarHBondContact OD2-CA 3.02Å; D495-D499 PolarHBondContact OD1-N 3.07Å; D495-G500 WeakPolarHBondContact OD2-CA 3.39Å; D495-G500 PolarHBondContact OD2-N 3.4Å; D495-D503 VanDerWaalsContact CA-OD1 3.3Å; D495-D503 WeakPolarHBondContact CA-OD1 3.3Å
496	A	95.4	Very high	95.9	Very high	48 Å²	48	47.2 Å²	47.2	40%	0.397	27%	0.265	S	S	.	.	S	Bend	trans	-68.4	-40.8	-168.2	0	0	0	0	0	112.3	D503 L523	A496-D503 PolarHBondContact N-OD1 2.96Å; A496-L523 HydrophobicContact CB-CD2 4.37Å
497	D	95	Very high	95.8	Very high	41 Å²	41	52 Å²	52	22%	0.219	29%	0.289	C	S	.	.	S	Bend	trans	-90.9	-15.5	-179.4	91.3	-26.6	0	0	0	114.1	D499 A509 N511	D497-D499 WeakPolarHBondContact OD1-CB 3.41Å; D497-D499 PolarHBondContact OD1-N 2.89Å; D497-D499 WeakPolarHBondContact OD2-CB 3.27Å; D497-A509 PolarHBondContact N-O 2.66Å; D497-N511 HydrophobicContact CB-CB 3.91Å; D497-N511 WeakPolarHBondContact OD2-CB 3.39Å; D497-N511 PolarHBondContact OD2-ND2 2.8Å
498	R	95.6	Very high	95.8	Very high	215 Å²	215	46.2 Å²	46.2	81%	0.811	27%	0.265	S	S	*	.			trans	65	35.4	-179.4	-53.6	-178.5	-172.6	167.5	2.1	114	D495 G500	D495-R498 VanDerWaalsContact CG-CA 3.49Å; D495-R498 WeakPolarHBondContact OD1-CA 3.07Å; D495-R498 PolarHBondContact OD1-N 2.99Å; D495-R498 WeakPolarHBondContact OD2-CA 3.02Å; R498-G500 VanDerWaalsContact C-N 3.29Å
499	D	94.3	Very high	95.7	Very high	88 Å²	88	45.4 Å²	45.4	47%	0.471	26%	0.26	S	S	.	.	S	Bend	trans	-81.3	-11.3	173.8	93.7	-2.7	0	0	0	113.7	D495 D497 S501	D495-D499 PolarHBondContact OD1-N 3.07Å; D497-D499 WeakPolarHBondContact OD1-CB 3.41Å; D497-D499 PolarHBondContact OD1-N 2.89Å; D497-D499 WeakPolarHBondContact OD2-CB 3.27Å; D499-S501 WeakPolarHBondContact OD1-CB 3.29Å; D499-S501 PolarHBondContact OD1-N 2.85Å; D499-S501 PolarHBondContact OD1-OG 2.89Å
500	G	93.1	Very high	95.6	Very high	47 Å²	47	45.8 Å²	45.8	49%	0.485	26%	0.262	S	S	.	.	S	Bend	trans	96.3	1.9	-179.6	0	0	0	0	0	114.5	N484 D495 R498	N484-G500 WeakPolarHBondContact CB-O 3.28Å; D495-G500 WeakPolarHBondContact OD2-CA 3.39Å; D495-G500 PolarHBondContact OD2-N 3.4Å; R498-G500 VanDerWaalsContact C-N 3.29Å
501	S	96.1	Very high	95.6	Very high	44 Å²	44	50.4 Å²	50.4	31%	0.308	29%	0.287	S	S	.	.	S	Bend	trans	-96.4	130.2	164.4	-43.7	0	0	0	0	108.1	D499	D499-S501 WeakPolarHBondContact OD1-CB 3.29Å; D499-S501 PolarHBondContact OD1-N 2.85Å; D499-S501 PolarHBondContact OD1-OG 2.89Å
502	G	96.3	Very high	95.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.292	C	S	.	.			trans	-75.6	154.3	179.6	0	0	0	0	0	112.6	N484 C485 E494 A504 C505 D506	N484-G502 VanDerWaalsContact CG-CA 3.47Å; N484-G502 WeakPolarHBondContact ND2-CA 3.35Å; N484-G502 PolarHBondContact O-N 2.86Å; C485-G502 VanDerWaalsContact SG-C 3.56Å; C485-G502 WeakPolarHBondContact SG-CA 3.26Å; C485-G502 PolarHBondContact SG-N 3.13Å; C485-G502 VanDerWaalsContact SG-N 3.4Å; C485-G502 PolarHBondContact SG-O 3.14Å; E494-G502 CarbonylContact O-C 3.46Å; E494-G502 VanDerWaalsContact O-CA 3.29Å; E494-G502 WeakPolarHBondContact O-CA 3.32Å; G502-A504 PolarHBondContact O-N 3.47Å; G502-C505 PolarHBondContact O-N 3.08Å; G502-D506 PolarHBondContact O-N 3.11Å
503	D	96	Very high	95.5	Very high	23 Å²	23	53.3 Å²	53.3	12%	0.123	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-32	-177.7	-63.8	-16.3	0	0	0	112.4	E494 D495 A496 C505 A509 L523	E494-D503 VanDerWaalsContact CB-OD2 3.32Å; E494-D503 WeakPolarHBondContact CB-OD2 2.99Å; E494-D503 PolarHBondContact O-N 2.93Å; D495-D503 VanDerWaalsContact CA-OD1 3.3Å; D495-D503 WeakPolarHBondContact CA-OD1 3.3Å; A496-D503 PolarHBondContact N-OD1 2.96Å; D503-C505 VanDerWaalsContact C-N 3.3Å; D503-C505 PolarHBondContact O-N 2.98Å; D503-A509 HydrophobicContact CB-CB 4.48Å; D503-L523 HydrophobicContact CB-CD2 4.17Å
504	A	95.2	Very high	95.5	Very high	42 Å²	42	53.4 Å²	53.4	35%	0.347	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.9	-178.4	0	0	0	0	0	114.6	V488 N490 G502	V488-A504 HydrophobicContact CG1-CB 4.08Å; N490-A504 HydrophobicContact CB-CB 3.58Å; G502-A504 PolarHBondContact O-N 3.47Å
505	C	94.9	Very high	95.5	Very high	58 Å²	58	54.5 Å²	54.5	39%	0.392	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	4.8	-177.6	70.6	0	0	0	0	114.1	N484 C485 V488 G502 D503	N484-C505 PolarHBondContact O-SG 3.36Å; C485-C505 WeakPolarHBondContact CA-SG 3.28Å; C485-C505 HydrophobicContact CB-CB 3.78Å; C485-C505 WeakPolarHBondContact CB-SG 3.11Å; C485-C505 WeakPolarHBondContact SG-CB 3.07Å; C485-C505 PolarHBondContact SG-N 2.86Å; C485-C505 CovalentContact SG-SG 2.03Å; C485-C505 PolarHBondContact SG-SG 3.1Å; V488-C505 HydrophobicContact CG2-CB 4.48Å; G502-C505 PolarHBondContact O-N 3.08Å; D503-C505 VanDerWaalsContact C-N 3.3Å; D503-C505 PolarHBondContact O-N 2.98Å
506	D	96	Very high	95.3	Very high	27 Å²	27	54.2 Å²	54.2	14%	0.144	32%	0.318	C	S	.	.			trans	-80.5	141.2	170.2	-155.1	-29.6	0	0	0	111.3	G502 D508 A509 N516	G502-D506 PolarHBondContact O-N 3.11Å; D506-D508 PolarHBondContact OD1-N 2.8Å; D506-A509 HydrophobicContact CB-CB 4.21Å; D506-N516 PolarHBondContact O-ND2 3.01Å
507	D	94.8	Very high	95.1	Very high	135 Å²	135	58 Å²	58	72%	0.722	34%	0.336	S	S	*	.	S	Bend	trans	-82.7	-22.1	174.7	-74.4	-32.8	0	0	0	111.9	I515 N516	D507-I515 WeakPolarHBondContact O-CA 3.25Å; D507-N516 PolarHBondContact O-N 2.83Å
508	D	95.7	Very high	95.1	Very high	28 Å²	28	61.8 Å²	61.8	15%	0.15	36%	0.356	C	S	.	.	S	Bend	trans	-145.2	76.1	-177.5	179.1	1.9	0	0	0	108.5	D506 D510 N511 D512 G513 N516	D506-D508 PolarHBondContact OD1-N 2.8Å; D508-D510 PolarHBondContact O-N 3.25Å; D508-D510 VanDerWaalsContact O-N 3.15Å; D508-N511 PolarHBondContact O-N 2.94Å; D508-N511 VanDerWaalsContact OD1-CA 3.26Å; D508-N511 WeakPolarHBondContact OD1-CA 3.1Å; D508-N511 PolarHBondContact OD1-N 3.44Å; D508-D512 PolarHBondContact OD1-N 2.72Å; D508-G513 VanDerWaalsContact OD2-CA 3.24Å; D508-G513 WeakPolarHBondContact OD2-CA 3.4Å; D508-G513 PolarHBondContact OD2-N 3.05Å; D508-G513 VanDerWaalsContact OD2-N 3.1Å; D508-N516 WeakPolarHBondContact CA-OD1 3.41Å
509	A	96.1	Very high	95.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.3	-164.8	0	0	0	0	0	114	D497 D503 D506 N516 W522 L523	D497-A509 PolarHBondContact N-O 2.66Å; D503-A509 HydrophobicContact CB-CB 4.48Å; D506-A509 HydrophobicContact CB-CB 4.21Å; A509-N516 PolarHBondContact N-OD1 3.41Å; A509-W522 HydrophobicContact CB-CE3 4.09Å; A509-W522 HydrophobicContact CB-CZ3 4.33Å; A509-L523 HydrophobicContact CB-CD2 4.19Å
510	D	96.1	Very high	95.2	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.043	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-5.2	177.7	80.2	6.6	0	0	0	114.1	D508 D512 V524 P525	D508-D510 PolarHBondContact O-N 3.25Å; D508-D510 VanDerWaalsContact O-N 3.15Å; D510-D512 VanDerWaalsContact C-N 3.27Å; D510-D512 PolarHBondContact O-N 3.11Å; D510-D512 VanDerWaalsContact OD1-CB 3.29Å; D510-D512 WeakPolarHBondContact OD1-CB 3.3Å; D510-D512 PolarHBondContact OD1-N 3.38Å; D510-D512 VanDerWaalsContact OD1-N 3.08Å; D510-V524 PolarHBondContact OD2-N 3.05Å; D510-P525 HydrophobicContact CB-CG 3.89Å; D510-P525 WeakPolarHBondContact O-CG 3.14Å; D510-P525 WeakPolarHBondContact OD2-CA 3.44Å
511	N	96	Very high	95.3	Very high	100 Å²	100	47.2 Å²	47.2	54%	0.535	28%	0.284	S	S	.	.			trans	58.7	35.9	173.7	-156.5	-13.4	0	0	0	113.6	D497 D508 G513	D497-N511 HydrophobicContact CB-CB 3.91Å; D497-N511 WeakPolarHBondContact OD2-CB 3.39Å; D497-N511 PolarHBondContact OD2-ND2 2.8Å; D508-N511 PolarHBondContact O-N 2.94Å; D508-N511 VanDerWaalsContact OD1-CA 3.26Å; D508-N511 WeakPolarHBondContact OD1-CA 3.1Å; D508-N511 PolarHBondContact OD1-N 3.44Å; N511-G513 VanDerWaalsContact C-N 3.3Å
512	D	96	Very high	95.2	Very high	23 Å²	23	50.5 Å²	50.5	12%	0.123	29%	0.289	C	S	.	.	S	Bend	trans	-84.9	-9.7	173.6	96.8	-8.6	0	0	0	112.7	D508 D510 I514 P525 N526 V527	D508-D512 PolarHBondContact OD1-N 2.72Å; D510-D512 VanDerWaalsContact C-N 3.27Å; D510-D512 PolarHBondContact O-N 3.11Å; D510-D512 VanDerWaalsContact OD1-CB 3.29Å; D510-D512 WeakPolarHBondContact OD1-CB 3.3Å; D510-D512 PolarHBondContact OD1-N 3.38Å; D510-D512 VanDerWaalsContact OD1-N 3.08Å; D512-I514 WeakPolarHBondContact OD1-CB 3.27Å; D512-I514 VanDerWaalsContact OD1-CG1 3.26Å; D512-I514 WeakPolarHBondContact OD1-CG1 3.34Å; D512-I514 PolarHBondContact OD1-N 2.75Å; D512-P525 HydrophobicContact CB-CB 3.86Å; D512-N526 WeakPolarHBondContact OD2-CA 3.32Å; D512-N526 PolarHBondContact OD2-N 2.79Å; D512-V527 HydrophobicContact CB-CG2 3.87Å; D512-V527 WeakPolarHBondContact O-CG2 3.17Å; D512-V527 WeakPolarHBondContact OD2-CA 3.38Å; D512-V527 PolarHBondContact OD2-N 2.89Å
513	G	95.1	Very high	95.1	Very high	62 Å²	62	53.9 Å²	53.9	64%	0.639	31%	0.307	S	S	*	.	S	Bend	trans	94.7	8.1	178.2	0	0	0	0	0	114.4	D508 N511	D508-G513 VanDerWaalsContact OD2-CA 3.24Å; D508-G513 WeakPolarHBondContact OD2-CA 3.4Å; D508-G513 PolarHBondContact OD2-N 3.05Å; D508-G513 VanDerWaalsContact OD2-N 3.1Å; N511-G513 VanDerWaalsContact C-N 3.3Å
514	I	96	Very high	95.1	Very high	35 Å²	35	55.7 Å²	55.7	18%	0.179	32%	0.319	C	S	.	.	S	Bend	trans	-108.5	128.7	173.9	-55.2	174.7	0	0	0	107.6	D512 D518 D519 Q529	D512-I514 WeakPolarHBondContact OD1-CB 3.27Å; D512-I514 VanDerWaalsContact OD1-CG1 3.26Å; D512-I514 WeakPolarHBondContact OD1-CG1 3.34Å; D512-I514 PolarHBondContact OD1-N 2.75Å; I514-D518 HydrophobicContact CG2-CB 4.29Å; I514-D519 HydrophobicContact CB-CB 4.32Å; I514-D519 HydrophobicContact CG2-CB 3.78Å; I514-Q529 HydrophobicContact CD1-CG 3.35Å
515	I	95.6	Very high	95.2	Very high	84 Å²	84	57.9 Å²	57.9	43%	0.431	33%	0.329	S	S	.	.			trans	-69.6	144.8	-179.5	60.5	175.4	0	0	0	110.4	D507 V517 D518 D519	D507-I515 WeakPolarHBondContact O-CA 3.25Å; I515-V517 HydrophobicContact CD1-CG2 3.54Å; I515-V517 HydrophobicContact CG1-CG2 3.81Å; I515-V517 PolarHBondContact O-N 3.48Å; I515-D518 WeakPolarHBondContact CD1-OD2 3.34Å; I515-D518 HydrophobicContact CG1-CB 3.92Å; I515-D518 PolarHBondContact O-N 3.39Å; I515-D519 PolarHBondContact O-N 2.9Å; I515-D519 VanDerWaalsContact O-N 3.12Å
516	N	92.9	Very high	95.2	Very high	30 Å²	30	55.5 Å²	55.5	16%	0.16	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-37.2	-173.4	-66.6	-15	0	0	0	114.2	D506 D507 D508 A509 D518 D519 W522	D506-N516 PolarHBondContact O-ND2 3.01Å; D507-N516 PolarHBondContact O-N 2.83Å; D508-N516 WeakPolarHBondContact CA-OD1 3.41Å; A509-N516 PolarHBondContact N-OD1 3.41Å; N516-D518 VanDerWaalsContact C-N 3.32Å; N516-D518 PolarHBondContact O-N 2.83Å; N516-D519 PolarHBondContact O-N 3.01Å; N516-W522 HydrophobicContact CB-CB 4.13Å; N516-W522 HydrophobicContact CB-CE3 4.11Å
517	V	91.1	Very high	95.2	Very high	128 Å²	128	59.2 Å²	59.2	78%	0.776	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.2	-178.9	-62.4	0	0	0	0	114.6	I515	I515-V517 HydrophobicContact CD1-CG2 3.54Å; I515-V517 HydrophobicContact CG1-CG2 3.81Å; I515-V517 PolarHBondContact O-N 3.48Å
518	D	94.7	Very high	95.3	Very high	120 Å²	120	58.5 Å²	58.5	64%	0.642	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-2.4	178.5	-71.6	-29.9	0	0	0	111.6	I514 I515 N516	I514-D518 HydrophobicContact CG2-CB 4.29Å; I515-D518 WeakPolarHBondContact CD1-OD2 3.34Å; I515-D518 HydrophobicContact CG1-CB 3.92Å; I515-D518 PolarHBondContact O-N 3.39Å; N516-D518 VanDerWaalsContact C-N 3.32Å; N516-D518 PolarHBondContact O-N 2.83Å
519	D	96	Very high	95.3	Very high	14 Å²	14	59.4 Å²	59.4	8%	0.075	34%	0.336	C	S	.	.			trans	-97.5	124.7	-177.1	-167	-13.8	0	0	0	111.6	I514 I515 N516 C521 W522 N526 Q529	I514-D519 HydrophobicContact CB-CB 4.32Å; I514-D519 HydrophobicContact CG2-CB 3.78Å; I515-D519 PolarHBondContact O-N 2.9Å; I515-D519 VanDerWaalsContact O-N 3.12Å; N516-D519 PolarHBondContact O-N 3.01Å; D519-C521 VanDerWaalsContact C-N 3.3Å; D519-C521 PolarHBondContact OD1-N 2.6Å; D519-W522 HydrophobicContact CB-CB 4.09Å; D519-W522 WeakPolarHBondContact OD2-CA 3.17Å; D519-N526 PolarHBondContact OD1-OD1 3.16Å; D519-N526 VanDerWaalsContact OD1-OD1 3.11Å; D519-Q529 PolarHBondContact OD1-NE2 3.15Å
520	N	94.8	Very high	95.4	Very high	28 Å²	28	64.4 Å²	64.4	15%	0.15	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-2.3	174.8	65	17.7	0	0	0	114.6	N526 Q529 H537 G538 C541	N520-N526 PolarHBondContact OD1-ND2 3.39Å; N520-Q529 VanDerWaalsContact CG-OE1 3.23Å; N520-Q529 PolarHBondContact ND2-O 2.79Å; N520-Q529 PolarHBondContact OD1-NE2 3.35Å; N520-Q529 PolarHBondContact OD1-OE1 2.59Å; N520-H537 CarbonylContact O-C 3.5Å; N520-H537 WeakPolarHBondContact O-CA 3.49Å; N520-G538 PolarHBondContact O-N 2.84Å; N520-G538 WeakPolarHBondContact OD1-CA 3.44Å; N520-C541 PolarHBondContact O-SG 2.68Å
521	C	95.6	Very high	95.4	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.02	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.9	53.1	170.8	-69	0	0	0	0	111.9	D519 L523 V524 N526 G538 C541	D519-C521 VanDerWaalsContact C-N 3.3Å; D519-C521 PolarHBondContact OD1-N 2.6Å; C521-L523 PolarHBondContact O-N 2.83Å; C521-V524 HydrophobicContact CB-CB 4.4Å; C521-V524 CarbonylContact O-C 3.55Å; C521-V524 PolarHBondContact O-N 3.06Å; C521-V524 VanDerWaalsContact O-O 3.1Å; C521-N526 HydrophobicContact CB-CB 4.47Å; C521-N526 WeakPolarHBondContact CB-ND2 3.04Å; C521-G538 VanDerWaalsContact SG-C 3.56Å; C521-G538 WeakPolarHBondContact SG-CA 3.18Å; C521-G538 PolarHBondContact SG-N 2.8Å; C521-G538 PolarHBondContact SG-O 2.79Å; C521-C541 WeakPolarHBondContact CA-SG 3.03Å; C521-C541 HydrophobicContact CB-CB 3.68Å; C521-C541 WeakPolarHBondContact CB-SG 3Å; C521-C541 WeakPolarHBondContact SG-CB 3.43Å; C521-C541 PolarHBondContact SG-N 3.45Å; C521-C541 CovalentContact SG-SG 2.04Å; C521-C541 PolarHBondContact SG-SG 2.85Å
522	W	94.6	Very high	95.4	Very high	113 Å²	113	64 Å²	64	43%	0.428	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-5.9	-174.7	74.5	-67.9	0	0	0	118.9	A509 N516 D519	A509-W522 HydrophobicContact CB-CE3 4.09Å; A509-W522 HydrophobicContact CB-CZ3 4.33Å; N516-W522 HydrophobicContact CB-CB 4.13Å; N516-W522 HydrophobicContact CB-CE3 4.11Å; D519-W522 HydrophobicContact CB-CB 4.09Å; D519-W522 WeakPolarHBondContact OD2-CA 3.17Å
523	L	94.6	Very high	95.4	Very high	70 Å²	70	63.7 Å²	63.7	37%	0.366	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-1.4	174.3	-62.1	176.1	0	0	0	113	A496 D503 A509 C521	A496-L523 HydrophobicContact CB-CD2 4.37Å; D503-L523 HydrophobicContact CB-CD2 4.17Å; A509-L523 HydrophobicContact CB-CD2 4.19Å; C521-L523 PolarHBondContact O-N 2.83Å
524	V	95.8	Very high	95.3	Very high	61 Å²	61	68.8 Å²	68.8	37%	0.37	36%	0.363	S	S	.	.	S	Bend	trans	-140.6	109.2	-172.5	-178	0	0	0	0	110	D510 C521 N526 A540 C541	D510-V524 PolarHBondContact OD2-N 3.05Å; C521-V524 HydrophobicContact CB-CB 4.4Å; C521-V524 CarbonylContact O-C 3.55Å; C521-V524 PolarHBondContact O-N 3.06Å; C521-V524 VanDerWaalsContact O-O 3.1Å; V524-N526 PolarHBondContact O-N 3.08Å; V524-N526 VanDerWaalsContact O-N 3.17Å; V524-A540 HydrophobicContact CG1-CB 4.33Å; V524-C541 HydrophobicContact CB-CB 4.29Å; V524-C541 HydrophobicContact CG2-CB 4.19Å
525	P	96.4	Very high	95.2	Very high	88 Å²	88	68 Å²	68	57%	0.571	36%	0.359	S	S	*	.			trans	-55.9	118.9	-169	-29.5	35.7	0	0	0	113.9	D510 D512	D510-P525 HydrophobicContact CB-CG 3.89Å; D510-P525 WeakPolarHBondContact O-CG 3.14Å; D510-P525 WeakPolarHBondContact OD2-CA 3.44Å; D512-P525 HydrophobicContact CB-CB 3.86Å
526	N	95.9	Very high	95	Very high	8 Å²	8	69.3 Å²	69.3	4%	0.043	37%	0.366	C	S	.	.			trans	-149.3	61.8	-176	75.8	-35.7	0	0	0	113.8	D512 D519 N520 C521 V524 D528 Q529 A540	D512-N526 WeakPolarHBondContact OD2-CA 3.32Å; D512-N526 PolarHBondContact OD2-N 2.79Å; D519-N526 PolarHBondContact OD1-OD1 3.16Å; D519-N526 VanDerWaalsContact OD1-OD1 3.11Å; N520-N526 PolarHBondContact OD1-ND2 3.39Å; C521-N526 HydrophobicContact CB-CB 4.47Å; C521-N526 WeakPolarHBondContact CB-ND2 3.04Å; V524-N526 PolarHBondContact O-N 3.08Å; V524-N526 VanDerWaalsContact O-N 3.17Å; N526-D528 PolarHBondContact O-N 2.92Å; N526-Q529 PolarHBondContact ND2-NE2 3.17Å; N526-Q529 PolarHBondContact O-N 3.34Å; N526-Q529 PolarHBondContact O-NE2 3.17Å; N526-Q529 PolarHBondContact OD1-NE2 2.86Å; N526-A540 HydrophobicContact CB-CB 3.47Å; N526-A540 VanDerWaalsContact CB-CB 3.47Å
527	V	96.3	Very high	95	Very high	106 Å²	106	70.1 Å²	70.1	64%	0.642	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.6	-24.2	177.1	-170.8	0	0	0	0	116	D512	D512-V527 HydrophobicContact CB-CG2 3.87Å; D512-V527 WeakPolarHBondContact O-CG2 3.17Å; D512-V527 WeakPolarHBondContact OD2-CA 3.38Å; D512-V527 PolarHBondContact OD2-N 2.89Å
528	D	95.4	Very high	95.3	Very high	119 Å²	119	64 Å²	64	64%	0.636	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.2	177.3	74.9	-3.7	0	0	0	114.6	N526 K530	N526-D528 PolarHBondContact O-N 2.92Å; D528-K530 PolarHBondContact O-N 3.16Å; D528-K530 PolarHBondContact OD1-N 2.72Å
529	Q	96.4	Very high	95.4	Very high	48 Å²	48	59.3 Å²	59.3	22%	0.224	31%	0.306	C	S	.	.			trans	47.3	32.3	-179.6	-67.5	-72.9	-61	0	0	112.5	I514 D519 N520 N526 N531	I514-Q529 HydrophobicContact CD1-CG 3.35Å; D519-Q529 PolarHBondContact OD1-NE2 3.15Å; N520-Q529 VanDerWaalsContact CG-OE1 3.23Å; N520-Q529 PolarHBondContact ND2-O 2.79Å; N520-Q529 PolarHBondContact OD1-NE2 3.35Å; N520-Q529 PolarHBondContact OD1-OE1 2.59Å; N526-Q529 PolarHBondContact ND2-NE2 3.17Å; N526-Q529 PolarHBondContact O-N 3.34Å; N526-Q529 PolarHBondContact O-NE2 3.17Å; N526-Q529 PolarHBondContact OD1-NE2 2.86Å; Q529-N531 PolarHBondContact O-N 3.17Å
530	K	97.4	Very high	95.4	Very high	105 Å²	105	60.9 Å²	60.9	46%	0.457	32%	0.321	S	S	.	.			trans	-68.6	125.6	-175.3	-174.8	170.7	177.6	-82.2	0	109.2	D528 S532 D539	D528-K530 PolarHBondContact O-N 3.16Å; D528-K530 PolarHBondContact OD1-N 2.72Å; K530-S532 PolarHBondContact NZ-OG 2.93Å; K530-S532 VanDerWaalsContact NZ-OG 3.16Å; K530-D539 IonicContact NZ-OD2 3.91Å; K530-D539 PolarHBondContact NZ-OD2 2.67Å; K530-D539 WeakPolarHBondContact O-CB 3.34Å; K530-D539 PolarHBondContact O-N 2.86Å
531	N	96.1	Very high	95.4	Very high	39 Å²	39	61.5 Å²	61.5	21%	0.209	33%	0.328	C	S	.	.			trans	-136.5	110.6	176	179.8	-21.1	0	0	0	109	Q529 D533 K534 D535 H537 D539	Q529-N531 PolarHBondContact O-N 3.17Å; N531-D533 PolarHBondContact OD1-N 2.82Å; N531-D533 PolarHBondContact OD1-OD1 2.91Å; N531-K534 WeakPolarHBondContact OD1-CA 3.43Å; N531-K534 PolarHBondContact OD1-N 3.43Å; N531-D535 PolarHBondContact ND2-O 3.01Å; N531-H537 PolarHBondContact ND2-O 3.01Å; N531-D539 WeakPolarHBondContact CA-OD1 3.47Å
532	S	96.6	Very high	95.4	Very high	59 Å²	59	61.6 Å²	61.6	41%	0.413	33%	0.328	S	S	.	.	S	Bend	trans	-83.6	-33.7	-167.8	-66.5	0	0	0	0	113.7	K530 D539 K545	K530-S532 PolarHBondContact NZ-OG 2.93Å; K530-S532 VanDerWaalsContact NZ-OG 3.16Å; S532-D539 VanDerWaalsContact CB-OD1 3.25Å; S532-D539 WeakPolarHBondContact CB-OD1 3.36Å; S532-D539 PolarHBondContact N-OD1 2.84Å; S532-D539 VanDerWaalsContact OG-CG 3.26Å; S532-D539 PolarHBondContact OG-OD1 2.03Å; S532-D539 PolarHBondContact OG-OD2 3.43Å; S532-K545 VanDerWaalsContact CB-O 3.26Å; S532-K545 WeakPolarHBondContact CB-O 3.3Å
533	D	95.2	Very high	95.5	Very high	18 Å²	18	57.6 Å²	57.6	10%	0.096	32%	0.315	C	S	.	.	S	Bend	trans	-103.6	-10.9	179.8	63.3	15	0	0	0	114.1	N531 D535 I547 Q548	N531-D533 PolarHBondContact OD1-N 2.82Å; N531-D533 PolarHBondContact OD1-OD1 2.91Å; D533-D535 PolarHBondContact OD1-N 3.02Å; D533-D535 VanDerWaalsContact OD1-N 3.14Å; D533-I547 PolarHBondContact OD2-N 3.2Å; D533-Q548 HydrophobicContact CB-CG 4Å; D533-Q548 PolarHBondContact O-NE2 3.4Å; D533-Q548 WeakPolarHBondContact OD2-CA 3.36Å; D533-Q548 PolarHBondContact OD2-N 3.23Å; D533-Q548 VanDerWaalsContact OD2-N 3.15Å
534	K	94.2	Very high	95.6	Very high	169 Å²	169	54.5 Å²	54.5	74%	0.735	30%	0.299	S	S	*	.			trans	67.8	34.4	175.1	-47.9	174.2	-177.3	177.3	0	113.8	N531	N531-K534 WeakPolarHBondContact OD1-CA 3.43Å; N531-K534 PolarHBondContact OD1-N 3.43Å
535	D	93.2	Very high	95.6	Very high	19 Å²	19	56.8 Å²	56.8	10%	0.102	30%	0.304	C	S	.	.	S	Bend	trans	-77.2	-159.2	161.4	81.3	0.7	0	0	0	111	N531 D533 H537 Q548 N549 P550	N531-D535 PolarHBondContact ND2-O 3.01Å; D533-D535 PolarHBondContact OD1-N 3.02Å; D533-D535 VanDerWaalsContact OD1-N 3.14Å; D535-H537 PolarHBondContact OD1-N 2.89Å; D535-H537 VanDerWaalsContact OD1-O 3.07Å; D535-Q548 HydrophobicContact CB-CB 3.98Å; D535-Q548 HydrophobicContact CB-CG 4.1Å; D535-N549 PolarHBondContact OD2-N 3.15Å; D535-P550 HydrophobicContact CB-CG 4.22Å
536	I	91.3	Very high	95.5	Very high	111 Å²	111	58 Å²	58	57%	0.569	31%	0.31	S	S	*	.	S	Bend	trans	-84.3	-14.6	-178.4	65.6	177.2	0	0	0	113.4	P550	I536-P550 HydrophobicContact CD1-CB 4.08Å; I536-P550 HydrophobicContact CG1-CB 4.12Å
537	H	94.4	Very high	95.5	Very high	46 Å²	46	61 Å²	61	21%	0.213	33%	0.325	C	S	.	.	S	Bend	trans	-103.4	141	-174.6	-60	-69.7	0	0	0	110.7	N520 N531 D535 D542 P550 Q552	N520-H537 CarbonylContact O-C 3.5Å; N520-H537 WeakPolarHBondContact O-CA 3.49Å; N531-H537 PolarHBondContact ND2-O 3.01Å; D535-H537 PolarHBondContact OD1-N 2.89Å; D535-H537 VanDerWaalsContact OD1-O 3.07Å; H537-D542 HydrophobicContact CB-CB 4.11Å; H537-P550 PolarHBondContact NE2-O 3.4Å; H537-Q552 WeakPolarHBondContact CD2-CG 3.42Å; H537-Q552 VanDerWaalsContact NE2-CG 3.29Å; H537-Q552 WeakPolarHBondContact NE2-CG 3.26Å
538	G	96.1	Very high	95.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.321	C	S	.	.			trans	-81.1	158.3	175.2	0	0	0	0	0	112.8	N520 C521 A540 C541 D542	N520-G538 PolarHBondContact O-N 2.84Å; N520-G538 WeakPolarHBondContact OD1-CA 3.44Å; C521-G538 VanDerWaalsContact SG-C 3.56Å; C521-G538 WeakPolarHBondContact SG-CA 3.18Å; C521-G538 PolarHBondContact SG-N 2.8Å; C521-G538 PolarHBondContact SG-O 2.79Å; G538-A540 PolarHBondContact O-N 2.04Å; G538-C541 PolarHBondContact O-N 3.19Å; G538-D542 WeakPolarHBondContact O-CB 3.28Å; G538-D542 PolarHBondContact O-N 2.79Å
539	D	96.4	Very high	95.4	Very high	21 Å²	21	56.1 Å²	56.1	11%	0.112	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-19.5	179.2	-78.7	21.1	0	0	0	114.7	K530 N531 S532 K545	K530-D539 IonicContact NZ-OD2 3.91Å; K530-D539 PolarHBondContact NZ-OD2 2.67Å; K530-D539 WeakPolarHBondContact O-CB 3.34Å; K530-D539 PolarHBondContact O-N 2.86Å; N531-D539 WeakPolarHBondContact CA-OD1 3.47Å; S532-D539 VanDerWaalsContact CB-OD1 3.25Å; S532-D539 WeakPolarHBondContact CB-OD1 3.36Å; S532-D539 PolarHBondContact N-OD1 2.84Å; S532-D539 VanDerWaalsContact OG-CG 3.26Å; S532-D539 PolarHBondContact OG-OD1 2.03Å; S532-D539 PolarHBondContact OG-OD2 3.43Å; D539-K545 VanDerWaalsContact O-CE 3.28Å; D539-K545 WeakPolarHBondContact O-CE 3.28Å; D539-K545 PolarHBondContact O-NZ 2.75Å
540	A	96.1	Very high	95.1	Very high	47 Å²	47	57.3 Å²	57.3	39%	0.388	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-35.5	-178.8	0	0	0	0	0	112.7	V524 N526 G538	V524-A540 HydrophobicContact CG1-CB 4.33Å; N526-A540 HydrophobicContact CB-CB 3.47Å; N526-A540 VanDerWaalsContact CB-CB 3.47Å; G538-A540 PolarHBondContact O-N 2.04Å
541	C	95	Very high	94.5	Very high	42 Å²	42	56.3 Å²	56.3	28%	0.284	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-7.2	-178.3	61	0	0	0	0	113.1	N520 C521 V524 G538 N543 Q552	N520-C541 PolarHBondContact O-SG 2.68Å; C521-C541 WeakPolarHBondContact CA-SG 3.03Å; C521-C541 HydrophobicContact CB-CB 3.68Å; C521-C541 WeakPolarHBondContact CB-SG 3Å; C521-C541 WeakPolarHBondContact SG-CB 3.43Å; C521-C541 PolarHBondContact SG-N 3.45Å; C521-C541 CovalentContact SG-SG 2.04Å; C521-C541 PolarHBondContact SG-SG 2.85Å; V524-C541 HydrophobicContact CB-CB 4.29Å; V524-C541 HydrophobicContact CG2-CB 4.19Å; G538-C541 PolarHBondContact O-N 3.19Å; C541-N543 PolarHBondContact O-N 3.21Å; C541-Q552 PolarHBondContact O-OE1 3.03Å
542	D	96.4	Very high	94.3	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	31%	0.308	C	S	.	.			trans	-78.5	115	179	-179.4	6.7	0	0	0	112	H537 G538 C544 K545 N549 Q552	H537-D542 HydrophobicContact CB-CB 4.11Å; G538-D542 WeakPolarHBondContact O-CB 3.28Å; G538-D542 PolarHBondContact O-N 2.79Å; D542-C544 PolarHBondContact O-N 2.94Å; D542-C544 VanDerWaalsContact OD1-C 3.24Å; D542-C544 WeakPolarHBondContact OD1-CA 3.26Å; D542-C544 PolarHBondContact OD1-N 2.84Å; D542-K545 VanDerWaalsContact O-CG 3.3Å; D542-K545 WeakPolarHBondContact O-CG 3.46Å; D542-K545 PolarHBondContact OD1-N 3.05Å; D542-K545 WeakPolarHBondContact OD2-CA 3.48Å; D542-K545 PolarHBondContact OD2-N 3.25Å; D542-K545 VanDerWaalsContact OD2-N 3.15Å; D542-N549 PolarHBondContact OD1-OD1 2.71Å; D542-N549 VanDerWaalsContact OD1-OD1 3.12Å; D542-Q552 VanDerWaalsContact CA-OE1 3.31Å; D542-Q552 PolarHBondContact OD1-NE2 3.48Å
543	N	95.9	Very high	94	Very high	30 Å²	30	60.2 Å²	60.2	16%	0.16	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-9.1	175.7	66.5	1.6	0	0	0	113.6	C541 N549 Q552 G561 C564	C541-N543 PolarHBondContact O-N 3.21Å; N543-N549 PolarHBondContact OD1-ND2 3.46Å; N543-Q552 VanDerWaalsContact CG-OE1 3.31Å; N543-Q552 PolarHBondContact ND2-O 2.81Å; N543-Q552 VanDerWaalsContact OD1-CD 3.28Å; N543-Q552 PolarHBondContact OD1-NE2 3.44Å; N543-Q552 PolarHBondContact OD1-OE1 3.18Å; N543-G561 VanDerWaalsContact CG-CA 3.47Å; N543-G561 WeakPolarHBondContact ND2-CA 3.35Å; N543-G561 PolarHBondContact O-N 3.4Å; N543-C564 PolarHBondContact O-SG 3Å
544	C	96.4	Very high	93.9	Very high	4 Å²	4	61.1 Å²	61.1	3%	0.027	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135	53.5	171.8	-69	0	0	0	0	114.4	D542 T546 I547 N549 G561 C564	D542-C544 PolarHBondContact O-N 2.94Å; D542-C544 VanDerWaalsContact OD1-C 3.24Å; D542-C544 WeakPolarHBondContact OD1-CA 3.26Å; D542-C544 PolarHBondContact OD1-N 2.84Å; C544-T546 PolarHBondContact O-N 3.24Å; C544-I547 HydrophobicContact CB-CB 4.45Å; C544-I547 CarbonylContact O-C 3.57Å; C544-I547 PolarHBondContact O-N 3.07Å; C544-I547 VanDerWaalsContact O-O 3.04Å; C544-N549 HydrophobicContact CB-CB 4.49Å; C544-N549 WeakPolarHBondContact CB-ND2 3.47Å; C544-N549 WeakPolarHBondContact CB-OD1 3.22Å; C544-G561 WeakPolarHBondContact SG-CA 3.49Å; C544-G561 PolarHBondContact SG-N 3.08Å; C544-G561 VanDerWaalsContact SG-N 3.41Å; C544-G561 PolarHBondContact SG-O 3.27Å; C544-C564 WeakPolarHBondContact CA-SG 3.28Å; C544-C564 HydrophobicContact CB-CB 3.68Å; C544-C564 WeakPolarHBondContact CB-SG 3.03Å; C544-C564 WeakPolarHBondContact SG-CB 3.1Å; C544-C564 PolarHBondContact SG-N 3.3Å; C544-C564 CovalentContact SG-SG 2.04Å; C544-C564 PolarHBondContact SG-SG 3.17Å
545	K	96.3	Very high	93.7	Very high	109 Å²	109	55.3 Å²	55.3	47%	0.474	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-26.4	-21.2	177.8	-52.2	-170.3	-174.1	-148.6	0	121.6	S532 D539 D542	S532-K545 VanDerWaalsContact CB-O 3.26Å; S532-K545 WeakPolarHBondContact CB-O 3.3Å; D539-K545 VanDerWaalsContact O-CE 3.28Å; D539-K545 WeakPolarHBondContact O-CE 3.28Å; D539-K545 PolarHBondContact O-NZ 2.75Å; D542-K545 VanDerWaalsContact O-CG 3.3Å; D542-K545 WeakPolarHBondContact O-CG 3.46Å; D542-K545 PolarHBondContact OD1-N 3.05Å; D542-K545 WeakPolarHBondContact OD2-CA 3.48Å; D542-K545 PolarHBondContact OD2-N 3.25Å; D542-K545 VanDerWaalsContact OD2-N 3.15Å
546	T	95.4	Very high	93.6	Very high	114 Å²	114	57 Å²	57	70%	0.699	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	-1.1	-178.2	62.2	0	0	0	0	113.9	C544	C544-T546 PolarHBondContact O-N 3.24Å
547	I	95.8	Very high	93.7	Very high	70 Å²	70	59.1 Å²	59.1	36%	0.359	31%	0.312	S	S	.	.	S	Bend	trans	-132.1	112.8	-175.2	-58	-176.6	0	0	0	107.3	D533 C544 N549 E563 C564	D533-I547 PolarHBondContact OD2-N 3.2Å; C544-I547 HydrophobicContact CB-CB 4.45Å; C544-I547 CarbonylContact O-C 3.57Å; C544-I547 PolarHBondContact O-N 3.07Å; C544-I547 VanDerWaalsContact O-O 3.04Å; I547-N549 PolarHBondContact O-N 2.87Å; I547-N549 VanDerWaalsContact O-N 3.14Å; I547-N549 PolarHBondContact O-OD1 3.45Å; I547-E563 HydrophobicContact CG2-CB 3.97Å; I547-C564 HydrophobicContact CD1-CB 3.87Å
548	Q	95	Very high	93.6	Very high	121 Å²	121	61.1 Å²	61.1	57%	0.565	32%	0.324	S	S	*	.			trans	-55.1	119.8	-177.4	-62.5	-173.5	-13.4	0	0	111.4	D533 D535	D533-Q548 HydrophobicContact CB-CG 4Å; D533-Q548 PolarHBondContact O-NE2 3.4Å; D533-Q548 WeakPolarHBondContact OD2-CA 3.36Å; D533-Q548 PolarHBondContact OD2-N 3.23Å; D533-Q548 VanDerWaalsContact OD2-N 3.15Å; D535-Q548 HydrophobicContact CB-CB 3.98Å; D535-Q548 HydrophobicContact CB-CG 4.1Å
549	N	93.6	Very high	93.5	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.016	35%	0.347	C	S	.	.			trans	-145.8	73	178.2	67.8	-37.2	0	0	0	110.3	D535 D542 N543 C544 I547 S551 Q552 E563	D535-N549 PolarHBondContact OD2-N 3.15Å; D542-N549 PolarHBondContact OD1-OD1 2.71Å; D542-N549 VanDerWaalsContact OD1-OD1 3.12Å; N543-N549 PolarHBondContact OD1-ND2 3.46Å; C544-N549 HydrophobicContact CB-CB 4.49Å; C544-N549 WeakPolarHBondContact CB-ND2 3.47Å; C544-N549 WeakPolarHBondContact CB-OD1 3.22Å; I547-N549 PolarHBondContact O-N 2.87Å; I547-N549 VanDerWaalsContact O-N 3.14Å; I547-N549 PolarHBondContact O-OD1 3.45Å; N549-S551 PolarHBondContact O-N 2.61Å; N549-Q552 VanDerWaalsContact CG-NE2 3.34Å; N549-Q552 PolarHBondContact ND2-NE2 2.58Å; N549-Q552 PolarHBondContact O-N 3.12Å; N549-Q552 PolarHBondContact O-NE2 2.75Å; N549-Q552 PolarHBondContact OD1-NE2 2.55Å; N549-E563 HydrophobicContact CB-CB 3.89Å; N549-E563 HydrophobicContact CB-CG 3.6Å
550	P	89.7	Confident	93.5	Very high	72 Å²	72	66 Å²	66	47%	0.468	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-22.8	-177.4	-26	32.7	0	0	0	115.4	D535 I536 H537	D535-P550 HydrophobicContact CB-CG 4.22Å; I536-P550 HydrophobicContact CD1-CB 4.08Å; I536-P550 HydrophobicContact CG1-CB 4.12Å; H537-P550 PolarHBondContact NE2-O 3.4Å
551	S	85.9	Confident	93.4	Very high	85 Å²	85	63.8 Å²	63.8	59%	0.594	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.9	178.1	58.5	0	0	0	0	114	N549 R553	N549-S551 PolarHBondContact O-N 2.61Å; S551-R553 PolarHBondContact O-N 2.78Å
552	Q	91.8	Very high	93.4	Very high	38 Å²	38	62.2 Å²	62.2	18%	0.178	33%	0.331	C	S	.	.			trans	49.3	28	-174.1	-63.9	-74.1	-63.3	0	0	113.3	H537 C541 D542 N543 N549 D554	H537-Q552 WeakPolarHBondContact CD2-CG 3.42Å; H537-Q552 VanDerWaalsContact NE2-CG 3.29Å; H537-Q552 WeakPolarHBondContact NE2-CG 3.26Å; C541-Q552 PolarHBondContact O-OE1 3.03Å; D542-Q552 VanDerWaalsContact CA-OE1 3.31Å; D542-Q552 PolarHBondContact OD1-NE2 3.48Å; N543-Q552 VanDerWaalsContact CG-OE1 3.31Å; N543-Q552 PolarHBondContact ND2-O 2.81Å; N543-Q552 VanDerWaalsContact OD1-CD 3.28Å; N543-Q552 PolarHBondContact OD1-NE2 3.44Å; N543-Q552 PolarHBondContact OD1-OE1 3.18Å; N549-Q552 VanDerWaalsContact CG-NE2 3.34Å; N549-Q552 PolarHBondContact ND2-NE2 2.58Å; N549-Q552 PolarHBondContact O-N 3.12Å; N549-Q552 PolarHBondContact O-NE2 2.75Å; N549-Q552 PolarHBondContact OD1-NE2 2.55Å; Q552-D554 PolarHBondContact O-N 3.41Å
553	R	90.1	Very high	93.3	Very high	141 Å²	141	67.4 Å²	67.4	53%	0.532	36%	0.356	S	S	.	.			trans	-63.6	133.1	-179.4	-172.6	-178.6	-73.2	-161.3	-2.2	109.6	S551 G561 D562 R582	S551-R553 PolarHBondContact O-N 2.78Å; R553-G561 CarbonylContact O-C 3.59Å; R553-G561 VanDerWaalsContact O-CA 3.28Å; R553-G561 WeakPolarHBondContact O-CA 3.04Å; R553-D562 WeakPolarHBondContact CD-OD2 3.41Å; R553-D562 VanDerWaalsContact CG-OD2 3.26Å; R553-D562 WeakPolarHBondContact CG-OD2 3.41Å; R553-D562 PolarHBondContact O-N 2.84Å; R553-R582 VanDerWaalsContact NH1-NH1 3.18Å
554	D	92.1	Very high	93.3	Very high	37 Å²	37	67.9 Å²	67.9	20%	0.198	36%	0.36	C	S	.	.			trans	-141.3	99.3	-179.7	175.1	-5.5	0	0	0	106.1	Q552 K557 D558 G559 L560	Q552-D554 PolarHBondContact O-N 3.41Å; D554-K557 VanDerWaalsContact CG-CA 3.5Å; D554-K557 WeakPolarHBondContact OD1-CA 3.42Å; D554-K557 PolarHBondContact OD1-N 3.04Å; D554-K557 WeakPolarHBondContact OD2-CA 3.35Å; D554-D558 PolarHBondContact OD1-N 2.99Å; D554-G559 VanDerWaalsContact OD2-CA 3.31Å; D554-G559 WeakPolarHBondContact OD2-CA 3.29Å; D554-G559 PolarHBondContact OD2-N 2.83Å; D554-L560 VanDerWaalsContact CG-O 3.24Å
555	T	90.5	Very high	93.3	Very high	48 Å²	48	68.6 Å²	68.6	29%	0.294	36%	0.364	S	S	.	.	S	Bend	trans	-72.8	-38.7	-167.4	-61.1	0	0	0	0	112.1	D562 M568 R582	T555-D562 WeakPolarHBondContact CB-OD1 3.35Å; T555-D562 PolarHBondContact N-OD1 2.73Å; T555-D562 VanDerWaalsContact OG1-CG 3.28Å; T555-D562 PolarHBondContact OG1-OD1 2.04Å; T555-D562 PolarHBondContact OG1-OD2 3.14Å; T555-D562 VanDerWaalsContact OG1-OD2 3.09Å; T555-M568 VanDerWaalsContact CB-O 3.3Å; T555-M568 WeakPolarHBondContact CB-O 3.45Å; T555-R582 WeakPolarHBondContact CG2-O 3.12Å; T555-R582 PolarHBondContact OG1-NH1 3.06Å
556	D	91.8	Very high	93.3	Very high	54 Å²	54	68.4 Å²	68.4	29%	0.289	37%	0.368	S	S	.	.	S	Bend	trans	-97.8	-8	-179.7	80.6	-20.3	0	0	0	114.1	D558 M568 G570	D556-D558 VanDerWaalsContact C-N 3.34Å; D556-D558 WeakPolarHBondContact OD1-CB 3.29Å; D556-D558 PolarHBondContact OD1-N 2.92Å; D556-D558 VanDerWaalsContact OD1-N 3.11Å; D556-M568 PolarHBondContact N-O 3.39Å; D556-G570 WeakPolarHBondContact OD2-CA 3.47Å
557	K	92.2	Very high	93.4	Very high	155 Å²	155	64.8 Å²	64.8	67%	0.674	35%	0.345	S	S	*	.			trans	65.3	32.3	177.3	-55.1	177	-177.9	171.5	0	113.3	D554 G559	D554-K557 VanDerWaalsContact CG-CA 3.5Å; D554-K557 WeakPolarHBondContact OD1-CA 3.42Å; D554-K557 PolarHBondContact OD1-N 3.04Å; D554-K557 WeakPolarHBondContact OD2-CA 3.35Å; K557-G559 VanDerWaalsContact C-N 3.26Å
558	D	93.8	Very high	93.3	Very high	88 Å²	88	62.2 Å²	62.2	47%	0.471	33%	0.331	S	S	.	.	S	Bend	trans	-80.2	-10.2	176	95	-19	0	0	0	113.3	D554 D556 L560	D554-D558 PolarHBondContact OD1-N 2.99Å; D556-D558 VanDerWaalsContact C-N 3.34Å; D556-D558 WeakPolarHBondContact OD1-CB 3.29Å; D556-D558 PolarHBondContact OD1-N 2.92Å; D556-D558 VanDerWaalsContact OD1-N 3.11Å; D558-L560 WeakPolarHBondContact OD1-CA 3.38Å; D558-L560 WeakPolarHBondContact OD1-CB 3.44Å; D558-L560 PolarHBondContact OD1-N 3.31Å
559	G	93.7	Very high	93.3	Very high	47 Å²	47	56.8 Å²	56.8	49%	0.485	31%	0.306	S	S	.	.	S	Bend	trans	95	1.5	-179.3	0	0	0	0	0	114.7	D554 K557	D554-G559 VanDerWaalsContact OD2-CA 3.31Å; D554-G559 WeakPolarHBondContact OD2-CA 3.29Å; D554-G559 PolarHBondContact OD2-N 2.83Å; K557-G559 VanDerWaalsContact C-N 3.26Å
560	L	95.9	Very high	93.4	Very high	77 Å²	77	58.8 Å²	58.8	40%	0.403	33%	0.328	S	S	.	.	S	Bend	trans	-97.3	134.3	162.8	-77.5	83.2	0	0	0	109	D554 D558 D565	D554-L560 VanDerWaalsContact CG-O 3.24Å; D558-L560 WeakPolarHBondContact OD1-CA 3.38Å; D558-L560 WeakPolarHBondContact OD1-CB 3.44Å; D558-L560 PolarHBondContact OD1-N 3.31Å; L560-D565 HydrophobicContact CB-CB 4.38Å
561	G	95.1	Very high	93.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.311	C	S	.	.			trans	-74.7	153.9	176	0	0	0	0	0	112.4	N543 C544 R553 E563 C564 D565	N543-G561 VanDerWaalsContact CG-CA 3.47Å; N543-G561 WeakPolarHBondContact ND2-CA 3.35Å; N543-G561 PolarHBondContact O-N 3.4Å; C544-G561 WeakPolarHBondContact SG-CA 3.49Å; C544-G561 PolarHBondContact SG-N 3.08Å; C544-G561 VanDerWaalsContact SG-N 3.41Å; C544-G561 PolarHBondContact SG-O 3.27Å; R553-G561 CarbonylContact O-C 3.59Å; R553-G561 VanDerWaalsContact O-CA 3.28Å; R553-G561 WeakPolarHBondContact O-CA 3.04Å; G561-E563 PolarHBondContact O-N 3.3Å; G561-C564 PolarHBondContact O-N 3.41Å; G561-C564 PolarHBondContact O-SG 2.79Å; G561-C564 VanDerWaalsContact O-SG 3.33Å; G561-D565 PolarHBondContact O-N 2.81Å
562	D	94.4	Very high	94.1	Very high	9 Å²	9	55.2 Å²	55.2	5%	0.048	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-40.6	-179.8	-77.3	9.4	0	0	0	113.2	R553 T555 C564 M568 R582	R553-D562 WeakPolarHBondContact CD-OD2 3.41Å; R553-D562 VanDerWaalsContact CG-OD2 3.26Å; R553-D562 WeakPolarHBondContact CG-OD2 3.41Å; R553-D562 PolarHBondContact O-N 2.84Å; T555-D562 WeakPolarHBondContact CB-OD1 3.35Å; T555-D562 PolarHBondContact N-OD1 2.73Å; T555-D562 VanDerWaalsContact OG1-CG 3.28Å; T555-D562 PolarHBondContact OG1-OD1 2.04Å; T555-D562 PolarHBondContact OG1-OD2 3.14Å; T555-D562 VanDerWaalsContact OG1-OD2 3.09Å; D562-C564 VanDerWaalsContact C-N 3.25Å; D562-C564 PolarHBondContact O-N 3.24Å; D562-M568 HydrophobicContact CB-CG 4.17Å; D562-M568 HydrophobicContact CB-SD 3.68Å; D562-M568 WeakPolarHBondContact O-CG 2.91Å; D562-M568 VanDerWaalsContact O-SD 3.37Å; D562-R582 IonicContact OD2-CZ 2.76Å; D562-R582 VanDerWaalsContact OD2-CZ 3.28Å; D562-R582 IonicContact OD2-NH1 2.84Å; D562-R582 PolarHBondContact OD2-NH1 3.29Å; D562-R582 IonicContact OD2-NH2 3.87Å; D562-R582 PolarHBondContact OD2-NH2 3.44Å
563	E	95.1	Very high	94.3	Very high	114 Å²	114	55.9 Å²	55.9	53%	0.533	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.7	-174.9	-66.7	-66.6	156.3	0	0	113.7	I547 N549 G561	I547-E563 HydrophobicContact CG2-CB 3.97Å; N549-E563 HydrophobicContact CB-CB 3.89Å; N549-E563 HydrophobicContact CB-CG 3.6Å; G561-E563 PolarHBondContact O-N 3.3Å
564	C	95.1	Very high	94.6	Very high	39 Å²	39	54 Å²	54	26%	0.264	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-4.6	178.8	63.6	0	0	0	0	113.8	N543 C544 I547 G561 D562	N543-C564 PolarHBondContact O-SG 3Å; C544-C564 WeakPolarHBondContact CA-SG 3.28Å; C544-C564 HydrophobicContact CB-CB 3.68Å; C544-C564 WeakPolarHBondContact CB-SG 3.03Å; C544-C564 WeakPolarHBondContact SG-CB 3.1Å; C544-C564 PolarHBondContact SG-N 3.3Å; C544-C564 CovalentContact SG-SG 2.04Å; C544-C564 PolarHBondContact SG-SG 3.17Å; I547-C564 HydrophobicContact CD1-CB 3.87Å; G561-C564 PolarHBondContact O-N 3.41Å; G561-C564 PolarHBondContact O-SG 2.79Å; G561-C564 VanDerWaalsContact O-SG 3.33Å; D562-C564 VanDerWaalsContact C-N 3.25Å; D562-C564 PolarHBondContact O-N 3.24Å
565	D	96.3	Very high	94.8	Very high	20 Å²	20	53.2 Å²	53.2	11%	0.107	31%	0.308	C	S	.	.			trans	-81.1	137.6	172.7	-152.1	-30.1	0	0	0	111.8	L560 G561 D567 M568 N575	L560-D565 HydrophobicContact CB-CB 4.38Å; G561-D565 PolarHBondContact O-N 2.81Å; D565-D567 PolarHBondContact OD1-N 3.18Å; D565-M568 HydrophobicContact CB-CG 4.19Å; D565-N575 PolarHBondContact O-ND2 2.9Å
566	D	96.3	Very high	95	Very high	105 Å²	105	57.1 Å²	57.1	56%	0.561	33%	0.332	S	S	*	.	S	Bend	trans	-87.2	-11.1	174.2	-93.3	0.6	0	0	0	112.4	K574 N575	D566-K574 CarbonylContact O-C 3.47Å; D566-K574 WeakPolarHBondContact O-CA 3.44Å; D566-K574 IonicContact OD2-NZ 2.72Å; D566-K574 PolarHBondContact OD2-NZ 3.15Å; D566-N575 VanDerWaalsContact O-CG 3.29Å; D566-N575 PolarHBondContact O-N 3.49Å; D566-N575 PolarHBondContact O-OD1 2.82Å
567	D	96.4	Very high	95.2	Very high	37 Å²	37	60.6 Å²	60.6	20%	0.198	35%	0.35	C	S	.	.	S	Bend	trans	-147.3	71.5	-174.6	-178.8	-1.1	0	0	0	108.8	D565 D569 G570 D571 G572 L573 N575	D565-D567 PolarHBondContact OD1-N 3.18Å; D567-D569 VanDerWaalsContact C-N 3.25Å; D567-D569 PolarHBondContact O-N 3.01Å; D567-G570 PolarHBondContact O-N 2.98Å; D567-G570 WeakPolarHBondContact OD1-CA 3.37Å; D567-G570 PolarHBondContact OD1-N 3.04Å; D567-D571 PolarHBondContact OD1-N 2.88Å; D567-G572 VanDerWaalsContact OD2-CA 3.24Å; D567-G572 WeakPolarHBondContact OD2-CA 3.32Å; D567-G572 PolarHBondContact OD2-N 3.06Å; D567-L573 VanDerWaalsContact OD1-O 3.04Å; D567-N575 VanDerWaalsContact CA-OD1 3.31Å; D567-N575 WeakPolarHBondContact CA-OD1 3.2Å; D567-N575 PolarHBondContact N-OD1 2.89Å
568	M	95.4	Very high	95.4	Very high	17 Å²	17	53.6 Å²	53.6	8%	0.084	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.6	-164.9	-68.8	-179.5	-76.5	0	0	114.3	T555 D556 D562 D565 N575 Q581	T555-M568 VanDerWaalsContact CB-O 3.3Å; T555-M568 WeakPolarHBondContact CB-O 3.45Å; D556-M568 PolarHBondContact N-O 3.39Å; D562-M568 HydrophobicContact CB-CG 4.17Å; D562-M568 HydrophobicContact CB-SD 3.68Å; D562-M568 WeakPolarHBondContact O-CG 2.91Å; D562-M568 VanDerWaalsContact O-SD 3.37Å; D565-M568 HydrophobicContact CB-CG 4.19Å; M568-N575 HydrophobicContact CE-CB 4.26Å; M568-N575 PolarHBondContact N-OD1 2.76Å; M568-Q581 HydrophobicContact CE-CB 3.84Å; M568-Q581 WeakPolarHBondContact CE-O 3.02Å
569	D	94.4	Very high	95.5	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.037	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-1.1	-177.8	71.5	-6.3	0	0	0	113.2	D567 D571 V583 P584	D567-D569 VanDerWaalsContact C-N 3.25Å; D567-D569 PolarHBondContact O-N 3.01Å; D569-D571 PolarHBondContact O-N 2.82Å; D569-D571 PolarHBondContact OD1-N 3.31Å; D569-V583 PolarHBondContact OD2-N 2.83Å; D569-V583 VanDerWaalsContact OD2-O 3.08Å; D569-P584 HydrophobicContact CB-CG 4.08Å; D569-P584 WeakPolarHBondContact O-CG 3.49Å; D569-P584 VanDerWaalsContact OD2-CA 3.25Å; D569-P584 WeakPolarHBondContact OD2-CA 3.05Å; D569-P584 VanDerWaalsContact OD2-N 3.13Å
570	G	95.6	Very high	95.6	Very high	45 Å²	45	48.8 Å²	48.8	46%	0.464	28%	0.283	S	S	.	.			trans	68.4	20.6	172.2	0	0	0	0	0	114	D556 D567 G572	D556-G570 WeakPolarHBondContact OD2-CA 3.47Å; D567-G570 PolarHBondContact O-N 2.98Å; D567-G570 WeakPolarHBondContact OD1-CA 3.37Å; D567-G570 PolarHBondContact OD1-N 3.04Å; G570-G572 PolarHBondContact O-N 3.31Å
571	D	95.9	Very high	95.6	Very high	22 Å²	22	49.7 Å²	49.7	12%	0.118	29%	0.285	C	S	.	.	S	Bend	trans	-79.2	-10	-177.7	99.1	-19.1	0	0	0	112.9	D567 D569 L573 P584 N585 P586	D567-D571 PolarHBondContact OD1-N 2.88Å; D569-D571 PolarHBondContact O-N 2.82Å; D569-D571 PolarHBondContact OD1-N 3.31Å; D571-L573 WeakPolarHBondContact OD1-CB 3.41Å; D571-L573 WeakPolarHBondContact OD1-CG 3.4Å; D571-L573 PolarHBondContact OD1-N 2.7Å; D571-P584 HydrophobicContact CB-CB 3.86Å; D571-N585 PolarHBondContact OD2-N 2.87Å; D571-N585 VanDerWaalsContact OD2-N 3.09Å; D571-N585 PolarHBondContact OD2-OD1 2.86Å; D571-P586 HydrophobicContact CB-CG 4.07Å; D571-P586 WeakPolarHBondContact OD2-CA 3.07Å; D571-P586 VanDerWaalsContact OD2-N 3.15Å
572	G	95.1	Very high	95.4	Very high	60 Å²	60	54.6 Å²	54.6	62%	0.619	30%	0.303	S	S	*	.	S	Bend	trans	97.7	5.1	178.1	0	0	0	0	0	114.2	D567 G570	D567-G572 VanDerWaalsContact OD2-CA 3.24Å; D567-G572 WeakPolarHBondContact OD2-CA 3.32Å; D567-G572 PolarHBondContact OD2-N 3.06Å; G570-G572 PolarHBondContact O-N 3.31Å
573	L	96.2	Very high	95.4	Very high	51 Å²	51	56.9 Å²	56.9	27%	0.267	32%	0.318	S	S	.	.	S	Bend	trans	-110.1	141.4	175.1	-61.2	167.9	0	0	0	110.4	D567 D571 D578 Q588	D567-L573 VanDerWaalsContact OD1-O 3.04Å; D571-L573 WeakPolarHBondContact OD1-CB 3.41Å; D571-L573 WeakPolarHBondContact OD1-CG 3.4Å; D571-L573 PolarHBondContact OD1-N 2.7Å; L573-D578 HydrophobicContact CB-CB 4.25Å; L573-Q588 HydrophobicContact CD1-CG 3.22Å
574	K	96.3	Very high	95.4	Very high	101 Å²	101	55.4 Å²	55.4	44%	0.439	32%	0.318	S	S	.	.			trans	-71.1	143.4	176.8	-70	176.8	163.1	-76.4	0	109.9	D566 V576 L577 D578	D566-K574 CarbonylContact O-C 3.47Å; D566-K574 WeakPolarHBondContact O-CA 3.44Å; D566-K574 IonicContact OD2-NZ 2.72Å; D566-K574 PolarHBondContact OD2-NZ 3.15Å; K574-V576 HydrophobicContact CB-CG2 4.31Å; K574-V576 PolarHBondContact O-N 3.28Å; K574-L577 WeakPolarHBondContact O-CA 3.36Å; K574-L577 PolarHBondContact O-N 2.86Å; K574-D578 WeakPolarHBondContact O-CB 3.39Å; K574-D578 PolarHBondContact O-N 2.78Å; K574-D578 VanDerWaalsContact O-N 3.15Å
575	N	94.6	Very high	95.4	Very high	22 Å²	22	53.7 Å²	53.7	12%	0.118	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-38	177.2	-57.5	-20.4	0	0	0	113.9	D565 D566 D567 M568 L577 Q581	D565-N575 PolarHBondContact O-ND2 2.9Å; D566-N575 VanDerWaalsContact O-CG 3.29Å; D566-N575 PolarHBondContact O-N 3.49Å; D566-N575 PolarHBondContact O-OD1 2.82Å; D567-N575 VanDerWaalsContact CA-OD1 3.31Å; D567-N575 WeakPolarHBondContact CA-OD1 3.2Å; D567-N575 PolarHBondContact N-OD1 2.89Å; M568-N575 HydrophobicContact CE-CB 4.26Å; M568-N575 PolarHBondContact N-OD1 2.76Å; N575-L577 VanDerWaalsContact C-N 3.3Å; N575-L577 PolarHBondContact O-N 3.09Å; N575-Q581 HydrophobicContact CB-CG 4.34Å; N575-Q581 VanDerWaalsContact O-CG 3.28Å; N575-Q581 WeakPolarHBondContact O-CG 3.39Å
576	V	95.3	Very high	95.4	Very high	130 Å²	130	57.2 Å²	57.2	79%	0.788	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-13.6	-178.1	-58.9	0	0	0	0	114.7	K574	K574-V576 HydrophobicContact CB-CG2 4.31Å; K574-V576 PolarHBondContact O-N 3.28Å
577	L	95.9	Very high	95.4	Very high	127 Å²	127	58.1 Å²	58.1	67%	0.665	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-8	178.1	-63.7	179.6	0	0	0	112.4	K574 N575 Q588	K574-L577 WeakPolarHBondContact O-CA 3.36Å; K574-L577 PolarHBondContact O-N 2.86Å; N575-L577 VanDerWaalsContact C-N 3.3Å; N575-L577 PolarHBondContact O-N 3.09Å; L577-Q588 PolarHBondContact O-OE1 3.15Å
578	D	96.7	Very high	95.4	Very high	8 Å²	8	58.7 Å²	58.7	4%	0.043	34%	0.336	C	S	.	.			trans	-97.3	126.4	-173.1	179.1	6.6	0	0	0	110.4	L573 K574 C580 Q581 N585 Q588	L573-D578 HydrophobicContact CB-CB 4.25Å; K574-D578 WeakPolarHBondContact O-CB 3.39Å; K574-D578 PolarHBondContact O-N 2.78Å; K574-D578 VanDerWaalsContact O-N 3.15Å; D578-C580 VanDerWaalsContact C-N 3.3Å; D578-C580 WeakPolarHBondContact OD1-CA 3.46Å; D578-C580 PolarHBondContact OD1-N 2.87Å; D578-C580 VanDerWaalsContact OD2-C 3.27Å; D578-Q581 WeakPolarHBondContact OD2-CA 3.38Å; D578-Q581 PolarHBondContact OD2-N 2.82Å; D578-N585 PolarHBondContact OD1-OD1 2.59Å; D578-Q588 PolarHBondContact OD1-NE2 3.14Å
579	N	96.1	Very high	95.5	Very high	31 Å²	31	59.4 Å²	59.4	17%	0.166	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.4	175.6	68	-4.4	0	0	0	113.7	N585 Q588 A589 G597 C600	N579-N585 PolarHBondContact OD1-ND2 2.76Å; N579-Q588 VanDerWaalsContact OD1-CD 3.23Å; N579-Q588 PolarHBondContact OD1-NE2 2.68Å; N579-Q588 PolarHBondContact OD1-OE1 2.94Å; N579-Q588 VanDerWaalsContact OD1-OE1 3.1Å; N579-A589 PolarHBondContact ND2-O 3.24Å; N579-G597 VanDerWaalsContact CG-CA 3.44Å; N579-G597 WeakPolarHBondContact ND2-CA 3.27Å; N579-G597 PolarHBondContact O-N 2.8Å; N579-G597 VanDerWaalsContact O-N 3.12Å; N579-C600 PolarHBondContact O-SG 3.37Å
580	C	95.7	Very high	95.6	Very high	2 Å²	2	61 Å²	61	1%	0.014	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.5	63	173.2	-72.5	0	0	0	0	113	D578 R582 V583 N585 G597 C600	D578-C580 VanDerWaalsContact C-N 3.3Å; D578-C580 WeakPolarHBondContact OD1-CA 3.46Å; D578-C580 PolarHBondContact OD1-N 2.87Å; D578-C580 VanDerWaalsContact OD2-C 3.27Å; C580-R582 PolarHBondContact O-N 3.46Å; C580-V583 HydrophobicContact CB-CB 4.36Å; C580-V583 WeakPolarHBondContact CB-O 3.3Å; C580-V583 PolarHBondContact O-N 3.46Å; C580-N585 WeakPolarHBondContact CB-OD1 3.4Å; C580-G597 VanDerWaalsContact SG-C 3.56Å; C580-G597 WeakPolarHBondContact SG-CA 3.06Å; C580-G597 PolarHBondContact SG-N 3.11Å; C580-G597 VanDerWaalsContact SG-N 3.43Å; C580-G597 PolarHBondContact SG-O 3.02Å; C580-C600 WeakPolarHBondContact CA-SG 3.44Å; C580-C600 HydrophobicContact CB-CB 3.7Å; C580-C600 WeakPolarHBondContact CB-SG 3.31Å; C580-C600 WeakPolarHBondContact SG-CB 3.47Å; C580-C600 PolarHBondContact SG-N 3.45Å; C580-C600 CovalentContact SG-SG 2.03Å; C580-C600 PolarHBondContact SG-SG 2.78Å
581	Q	95	Very high	95.7	Very high	96 Å²	96	65.9 Å²	65.9	45%	0.449	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-9.2	-177.2	-64.7	174.7	37.8	0	0	119	M568 N575 D578	M568-Q581 HydrophobicContact CE-CB 3.84Å; M568-Q581 WeakPolarHBondContact CE-O 3.02Å; N575-Q581 HydrophobicContact CB-CG 4.34Å; N575-Q581 VanDerWaalsContact O-CG 3.28Å; N575-Q581 WeakPolarHBondContact O-CG 3.39Å; D578-Q581 WeakPolarHBondContact OD2-CA 3.38Å; D578-Q581 PolarHBondContact OD2-N 2.82Å
582	R	91.9	Very high	95.7	Very high	104 Å²	104	66.4 Å²	66.4	39%	0.392	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-1.5	-176.8	-67.3	180	165.5	-77.7	-9.5	112.9	R553 T555 D562 C580	R553-R582 VanDerWaalsContact NH1-NH1 3.18Å; T555-R582 WeakPolarHBondContact CG2-O 3.12Å; T555-R582 PolarHBondContact OG1-NH1 3.06Å; D562-R582 IonicContact OD2-CZ 2.76Å; D562-R582 VanDerWaalsContact OD2-CZ 3.28Å; D562-R582 IonicContact OD2-NH1 2.84Å; D562-R582 PolarHBondContact OD2-NH1 3.29Å; D562-R582 IonicContact OD2-NH2 3.87Å; D562-R582 PolarHBondContact OD2-NH2 3.44Å; C580-R582 PolarHBondContact O-N 3.46Å
583	V	93.5	Very high	95.8	Very high	57 Å²	57	69.9 Å²	69.9	35%	0.345	37%	0.365	S	S	.	.	S	Bend	trans	-136.2	111.4	-172.3	-178.5	0	0	0	0	108.1	D569 C580 N585 A599 C600	D569-V583 PolarHBondContact OD2-N 2.83Å; D569-V583 VanDerWaalsContact OD2-O 3.08Å; C580-V583 HydrophobicContact CB-CB 4.36Å; C580-V583 WeakPolarHBondContact CB-O 3.3Å; C580-V583 PolarHBondContact O-N 3.46Å; V583-N585 PolarHBondContact O-N 3.02Å; V583-N585 PolarHBondContact O-OD1 3.4Å; V583-A599 HydrophobicContact CG1-CB 4.03Å; V583-C600 HydrophobicContact CB-CB 4.01Å; V583-C600 HydrophobicContact CG2-CB 3.83Å
584	P	95.9	Very high	95.8	Very high	82 Å²	82	68.4 Å²	68.4	53%	0.532	36%	0.358	S	S	.	.			trans	-57.6	115.6	-171.1	-23.5	30.6	0	0	0	112.2	D569 D571	D569-P584 HydrophobicContact CB-CG 4.08Å; D569-P584 WeakPolarHBondContact O-CG 3.49Å; D569-P584 VanDerWaalsContact OD2-CA 3.25Å; D569-P584 WeakPolarHBondContact OD2-CA 3.05Å; D569-P584 VanDerWaalsContact OD2-N 3.13Å; D571-P584 HydrophobicContact CB-CB 3.86Å
585	N	95.9	Very high	95.7	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.016	36%	0.36	C	S	.	.			trans	-141.4	73.2	178.3	71.1	-31.9	0	0	0	111.9	D571 D578 N579 C580 V583 D587 Q588 A599	D571-N585 PolarHBondContact OD2-N 2.87Å; D571-N585 VanDerWaalsContact OD2-N 3.09Å; D571-N585 PolarHBondContact OD2-OD1 2.86Å; D578-N585 PolarHBondContact OD1-OD1 2.59Å; N579-N585 PolarHBondContact OD1-ND2 2.76Å; C580-N585 WeakPolarHBondContact CB-OD1 3.4Å; V583-N585 PolarHBondContact O-N 3.02Å; V583-N585 PolarHBondContact O-OD1 3.4Å; N585-D587 PolarHBondContact O-N 2.98Å; N585-Q588 PolarHBondContact ND2-NE2 3.11Å; N585-Q588 PolarHBondContact O-N 3.05Å; N585-Q588 PolarHBondContact O-NE2 3.29Å; N585-Q588 PolarHBondContact OD1-NE2 2.78Å; N585-A599 HydrophobicContact CB-CB 3.64Å
586	P	95.7	Very high	95.8	Very high	95 Å²	95	65.9 Å²	65.9	62%	0.617	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.2	-175.1	-25.6	33.7	0	0	0	115.1	D571	D571-P586 HydrophobicContact CB-CG 4.07Å; D571-P586 WeakPolarHBondContact OD2-CA 3.07Å; D571-P586 VanDerWaalsContact OD2-N 3.15Å
587	D	96.3	Very high	95.8	Very high	124 Å²	124	59.7 Å²	59.7	66%	0.663	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-15.7	178	69.9	-15.4	0	0	0	114	N585 A589	N585-D587 PolarHBondContact O-N 2.98Å; D587-A589 PolarHBondContact O-N 3.4Å
588	Q	96.6	Very high	95.8	Very high	49 Å²	49	55.3 Å²	55.3	23%	0.229	30%	0.301	C	S	.	.			trans	49.8	39.2	179.6	-63.9	-78.6	-68.4	0	0	112.3	L573 L577 D578 N579 N585 D590	L573-Q588 HydrophobicContact CD1-CG 3.22Å; L577-Q588 PolarHBondContact O-OE1 3.15Å; D578-Q588 PolarHBondContact OD1-NE2 3.14Å; N579-Q588 VanDerWaalsContact OD1-CD 3.23Å; N579-Q588 PolarHBondContact OD1-NE2 2.68Å; N579-Q588 PolarHBondContact OD1-OE1 2.94Å; N579-Q588 VanDerWaalsContact OD1-OE1 3.1Å; N585-Q588 PolarHBondContact ND2-NE2 3.11Å; N585-Q588 PolarHBondContact O-N 3.05Å; N585-Q588 PolarHBondContact O-NE2 3.29Å; N585-Q588 PolarHBondContact OD1-NE2 2.78Å; Q588-D590 PolarHBondContact O-N 2.85Å
589	A	97.6	Very high	95.7	Very high	32 Å²	32	57.7 Å²	57.7	26%	0.264	32%	0.321	S	S	.	.			trans	-60.5	134.3	175	0	0	0	0	0	110	N579 D587 G597 D598	N579-A589 PolarHBondContact ND2-O 3.24Å; D587-A589 PolarHBondContact O-N 3.4Å; A589-G597 CarbonylContact O-C 3.56Å; A589-G597 WeakPolarHBondContact O-CA 3.34Å; A589-D598 HydrophobicContact CB-CB 4.19Å; A589-D598 PolarHBondContact O-N 3Å
590	D	96.7	Very high	95.6	Very high	41 Å²	41	58.2 Å²	58.2	22%	0.219	33%	0.327	C	S	.	.			trans	-148.6	92	177	172.8	-1.4	0	0	0	106.9	Q588 N593 D594 G595 D598	Q588-D590 PolarHBondContact O-N 2.85Å; D590-N593 WeakPolarHBondContact OD1-CA 3.47Å; D590-N593 PolarHBondContact OD1-N 3.34Å; D590-D594 PolarHBondContact OD1-N 3.09Å; D590-G595 PolarHBondContact OD2-N 2.64Å; D590-D598 WeakPolarHBondContact CA-OD1 3.16Å
591	R	96.6	Very high	95.6	Very high	146 Å²	146	58.7 Å²	58.7	55%	0.551	33%	0.329	S	S	*	.	S	Bend	trans	-74.2	-38.5	-168.4	-178.8	-175.8	-53	165.5	13.1	112.4	N593 D598 P604 D605	R591-N593 PolarHBondContact O-ND2 2.78Å; R591-D598 WeakPolarHBondContact CB-OD1 3.46Å; R591-D598 IonicContact CZ-OD2 2.99Å; R591-D598 PolarHBondContact N-OD1 2.81Å; R591-D598 IonicContact NE-OD2 3.81Å; R591-D598 PolarHBondContact NE-OD2 3.09Å; R591-D598 IonicContact NH2-OD2 2.97Å; R591-D598 PolarHBondContact NH2-OD2 2.93Å; R591-P604 WeakPolarHBondContact CB-O 3.44Å; R591-D605 WeakPolarHBondContact CD-OD1 3.34Å; R591-D605 IonicContact CZ-OD1 3.07Å; R591-D605 IonicContact NE-OD1 2.59Å; R591-D605 IonicContact NH1-OD1 3.83Å; R591-D605 PolarHBondContact NH1-OD1 3.36Å; R591-D605 IonicContact NH1-OD2 3.71Å
592	D	95.8	Very high	95.5	Very high	33 Å²	33	55.3 Å²	55.3	18%	0.176	32%	0.316	C	S	.	.	S	Bend	trans	-97.3	-6.7	-175.6	72.6	9.2	0	0	0	113.7	D594 V606 A607	D592-D594 WeakPolarHBondContact OD1-CB 3.32Å; D592-D594 PolarHBondContact OD1-N 3.45Å; D592-D594 VanDerWaalsContact OD1-N 3.12Å; D592-V606 WeakPolarHBondContact OD2-CA 3.35Å; D592-V606 PolarHBondContact OD2-N 3.08Å; D592-V606 VanDerWaalsContact OD2-N 3.09Å; D592-A607 WeakPolarHBondContact OD2-CA 3.15Å; D592-A607 PolarHBondContact OD2-N 3.05Å
593	N	96.7	Very high	95.6	Very high	133 Å²	133	50.5 Å²	50.5	71%	0.711	30%	0.298	S	S	*	.			trans	63.1	37.5	175.5	-58	-107.8	0	0	0	113.4	D590 R591	D590-N593 WeakPolarHBondContact OD1-CA 3.47Å; D590-N593 PolarHBondContact OD1-N 3.34Å; R591-N593 PolarHBondContact O-ND2 2.78Å
594	D	96.1	Very high	95.7	Very high	21 Å²	21	49 Å²	49	11%	0.112	29%	0.289	C	S	.	.	S	Bend	trans	-86.4	-13.9	177.3	94.9	-21.4	0	0	0	113.1	D590 D592 V596 A607 N608 P609	D590-D594 PolarHBondContact OD1-N 3.09Å; D592-D594 WeakPolarHBondContact OD1-CB 3.32Å; D592-D594 PolarHBondContact OD1-N 3.45Å; D592-D594 VanDerWaalsContact OD1-N 3.12Å; D594-V596 WeakPolarHBondContact OD1-CA 3.38Å; D594-V596 WeakPolarHBondContact OD1-CB 3.5Å; D594-V596 PolarHBondContact OD1-N 3.05Å; D594-A607 HydrophobicContact CB-CB 3.5Å; D594-N608 WeakPolarHBondContact OD2-CA 3.36Å; D594-N608 PolarHBondContact OD2-N 2.75Å; D594-N608 PolarHBondContact OD2-OD1 2.89Å; D594-P609 HydrophobicContact CB-CG 3.9Å; D594-P609 WeakPolarHBondContact O-CG 3.48Å; D594-P609 WeakPolarHBondContact OD2-CA 3.19Å
595	G	94.8	Very high	95.6	Very high	47 Å²	47	49.3 Å²	49.3	49%	0.485	29%	0.287	S	S	.	.	S	Bend	trans	99.6	1.6	179.1	0	0	0	0	0	114.9	D590	D590-G595 PolarHBondContact OD2-N 2.64Å
596	V	96.7	Very high	95.5	Very high	22 Å²	22	52.2 Å²	52.2	13%	0.133	31%	0.305	C	S	.	.	S	Bend	trans	-106	137.5	170.2	-172.6	0	0	0	0	107.7	D594 C600 D601 Q611	D594-V596 WeakPolarHBondContact OD1-CA 3.38Å; D594-V596 WeakPolarHBondContact OD1-CB 3.5Å; D594-V596 PolarHBondContact OD1-N 3.05Å; V596-C600 VanDerWaalsContact CG1-SG 3.54Å; V596-D601 HydrophobicContact CB-CB 4.37Å; V596-D601 HydrophobicContact CG1-CB 3.94Å; V596-Q611 HydrophobicContact CB-CG 4.45Å; V596-Q611 HydrophobicContact CG1-CG 4.1Å; V596-Q611 HydrophobicContact CG2-CG 3.81Å
597	G	96.6	Very high	95.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.297	C	S	.	.			trans	-80.1	151.1	-177.2	0	0	0	0	0	113.4	N579 C580 A589 A599 C600 D601	N579-G597 VanDerWaalsContact CG-CA 3.44Å; N579-G597 WeakPolarHBondContact ND2-CA 3.27Å; N579-G597 PolarHBondContact O-N 2.8Å; N579-G597 VanDerWaalsContact O-N 3.12Å; C580-G597 VanDerWaalsContact SG-C 3.56Å; C580-G597 WeakPolarHBondContact SG-CA 3.06Å; C580-G597 PolarHBondContact SG-N 3.11Å; C580-G597 VanDerWaalsContact SG-N 3.43Å; C580-G597 PolarHBondContact SG-O 3.02Å; A589-G597 CarbonylContact O-C 3.56Å; A589-G597 WeakPolarHBondContact O-CA 3.34Å; G597-A599 PolarHBondContact O-N 3.12Å; G597-C600 PolarHBondContact O-N 2.03Å; G597-D601 VanDerWaalsContact O-CB 3.23Å; G597-D601 WeakPolarHBondContact O-CB 3.37Å; G597-D601 PolarHBondContact O-N 3.28Å
598	D	95.3	Very high	95.4	Very high	36 Å²	36	44.6 Å²	44.6	19%	0.193	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-30	-178.3	-75.6	25.7	0	0	0	113	A589 D590 R591	A589-D598 HydrophobicContact CB-CB 4.19Å; A589-D598 PolarHBondContact O-N 3Å; D590-D598 WeakPolarHBondContact CA-OD1 3.16Å; R591-D598 WeakPolarHBondContact CB-OD1 3.46Å; R591-D598 IonicContact CZ-OD2 2.99Å; R591-D598 PolarHBondContact N-OD1 2.81Å; R591-D598 IonicContact NE-OD2 3.81Å; R591-D598 PolarHBondContact NE-OD2 3.09Å; R591-D598 IonicContact NH2-OD2 2.97Å; R591-D598 PolarHBondContact NH2-OD2 2.93Å
599	A	94.3	Very high	95.3	Very high	57 Å²	57	46.4 Å²	46.4	47%	0.471	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-26	-177.8	0	0	0	0	0	114.3	V583 N585 G597	V583-A599 HydrophobicContact CG1-CB 4.03Å; N585-A599 HydrophobicContact CB-CB 3.64Å; G597-A599 PolarHBondContact O-N 3.12Å
600	C	94	Very high	95.1	Very high	43 Å²	43	49.9 Å²	49.9	29%	0.291	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	6.4	-178	67.8	0	0	0	0	112.9	N579 C580 V583 V596 G597	N579-C600 PolarHBondContact O-SG 3.37Å; C580-C600 WeakPolarHBondContact CA-SG 3.44Å; C580-C600 HydrophobicContact CB-CB 3.7Å; C580-C600 WeakPolarHBondContact CB-SG 3.31Å; C580-C600 WeakPolarHBondContact SG-CB 3.47Å; C580-C600 PolarHBondContact SG-N 3.45Å; C580-C600 CovalentContact SG-SG 2.03Å; C580-C600 PolarHBondContact SG-SG 2.78Å; V583-C600 HydrophobicContact CB-CB 4.01Å; V583-C600 HydrophobicContact CG2-CB 3.83Å; V596-C600 VanDerWaalsContact CG1-SG 3.54Å; G597-C600 PolarHBondContact O-N 2.03Å
601	D	95.3	Very high	95	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.064	30%	0.298	C	S	.	.			trans	-84.8	121.8	177.3	-174	-0.9	0	0	0	110.1	V596 G597 C603 P604 N608 Q611	V596-D601 HydrophobicContact CB-CB 4.37Å; V596-D601 HydrophobicContact CG1-CB 3.94Å; G597-D601 VanDerWaalsContact O-CB 3.23Å; G597-D601 WeakPolarHBondContact O-CB 3.37Å; G597-D601 PolarHBondContact O-N 3.28Å; D601-C603 VanDerWaalsContact CG-C 3.49Å; D601-C603 PolarHBondContact O-N 2.9Å; D601-C603 PolarHBondContact OD1-N 2.93Å; D601-P604 HydrophobicContact CB-CG 4.32Å; D601-P604 VanDerWaalsContact O-CD 3.28Å; D601-P604 WeakPolarHBondContact O-CD 3.5Å; D601-P604 VanDerWaalsContact O-CG 3.3Å; D601-P604 WeakPolarHBondContact O-CG 3.28Å; D601-P604 VanDerWaalsContact OD2-CA 3.29Å; D601-P604 WeakPolarHBondContact OD2-CA 3.34Å; D601-N608 PolarHBondContact OD1-OD1 3.29Å; D601-Q611 PolarHBondContact OD1-NE2 2.8Å; D601-Q611 PolarHBondContact OD1-OE1 3.45Å
602	S	93.8	Very high	94.8	Very high	25 Å²	25	45.4 Å²	45.4	18%	0.175	29%	0.285	C	S	.	.	S	Bend	trans	-68.8	-15.7	174.1	59.9	0	0	0	0	113.2	N608 Q611 G620 C623	S602-N608 PolarHBondContact OG-ND2 3.33Å; S602-Q611 PolarHBondContact OG-OE1 3.14Å; S602-G620 PolarHBondContact O-N 2.8Å; S602-G620 WeakPolarHBondContact OG-CA 3.31Å; S602-C623 PolarHBondContact O-SG 3.22Å; S602-C623 VanDerWaalsContact O-SG 3.37Å
603	C	94.2	Very high	94.7	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.014	29%	0.287	C	S	.	.	S	Bend	trans	-137.9	68.9	173.6	-63.6	0	0	0	0	112.9	D601 D605 V606 N608 G620 C623	D601-C603 VanDerWaalsContact CG-C 3.49Å; D601-C603 PolarHBondContact O-N 2.9Å; D601-C603 PolarHBondContact OD1-N 2.93Å; C603-D605 PolarHBondContact O-N 3.2Å; C603-V606 HydrophobicContact CB-CB 4.42Å; C603-V606 WeakPolarHBondContact CB-O 3.33Å; C603-V606 PolarHBondContact O-N 2.84Å; C603-N608 WeakPolarHBondContact CB-ND2 3.22Å; C603-G620 VanDerWaalsContact SG-CA 3.54Å; C603-G620 PolarHBondContact SG-O 2.91Å; C603-C623 WeakPolarHBondContact CA-SG 3.42Å; C603-C623 HydrophobicContact CB-CB 3.74Å; C603-C623 WeakPolarHBondContact CB-SG 3.48Å; C603-C623 WeakPolarHBondContact SG-CB 3.33Å; C603-C623 PolarHBondContact SG-N 3.18Å; C603-C623 CovalentContact SG-SG 2.03Å; C603-C623 PolarHBondContact SG-SG 2.85Å
604	P	94.5	Very high	94.3	Very high	25 Å²	25	43.4 Å²	43.4	16%	0.162	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-8.9	-171.7	-25.5	34.7	0	0	0	117.4	R591 D601	R591-P604 WeakPolarHBondContact CB-O 3.44Å; D601-P604 HydrophobicContact CB-CG 4.32Å; D601-P604 VanDerWaalsContact O-CD 3.28Å; D601-P604 WeakPolarHBondContact O-CD 3.5Å; D601-P604 VanDerWaalsContact O-CG 3.3Å; D601-P604 WeakPolarHBondContact O-CG 3.28Å; D601-P604 VanDerWaalsContact OD2-CA 3.29Å; D601-P604 WeakPolarHBondContact OD2-CA 3.34Å
605	D	93.8	Very high	94	Very high	89 Å²	89	43.3 Å²	43.3	48%	0.476	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-5.2	-178.8	-60.3	-60.9	0	0	0	112.8	R591 C603 K638	R591-D605 WeakPolarHBondContact CD-OD1 3.34Å; R591-D605 IonicContact CZ-OD1 3.07Å; R591-D605 IonicContact NE-OD1 2.59Å; R591-D605 IonicContact NH1-OD1 3.83Å; R591-D605 PolarHBondContact NH1-OD1 3.36Å; R591-D605 IonicContact NH1-OD2 3.71Å; C603-D605 PolarHBondContact O-N 3.2Å; D605-K638 IonicContact OD2-NZ 3.94Å
606	V	94	Very high	93.9	Very high	65 Å²	65	43.1 Å²	43.1	39%	0.394	27%	0.269	S	S	.	.	S	Bend	trans	-144.6	107	-171.2	-169.9	0	0	0	0	112.5	D592 C603 N608 T622	D592-V606 WeakPolarHBondContact OD2-CA 3.35Å; D592-V606 PolarHBondContact OD2-N 3.08Å; D592-V606 VanDerWaalsContact OD2-N 3.09Å; C603-V606 HydrophobicContact CB-CB 4.42Å; C603-V606 WeakPolarHBondContact CB-O 3.33Å; C603-V606 PolarHBondContact O-N 2.84Å; V606-N608 PolarHBondContact O-N 3.29Å; V606-N608 PolarHBondContact O-OD1 2.79Å; V606-N608 VanDerWaalsContact O-OD1 3.14Å; V606-T622 HydrophobicContact CB-CG2 4.49Å; V606-T622 HydrophobicContact CG1-CG2 3.6Å
607	A	95.6	Very high	93.6	Very high	56 Å²	56	43.6 Å²	43.6	46%	0.463	27%	0.27	S	S	.	.			trans	-50.9	118.1	-172.9	0	0	0	0	0	115.1	D592 D594	D592-A607 WeakPolarHBondContact OD2-CA 3.15Å; D592-A607 PolarHBondContact OD2-N 3.05Å; D594-A607 HydrophobicContact CB-CB 3.5Å
608	N	94.5	Very high	93.4	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.011	29%	0.291	C	S	.	.			trans	-145.8	65.4	-175.7	62.2	-39.1	0	0	0	111.5	D594 D601 S602 C603 V606 N610 Q611 T622	D594-N608 WeakPolarHBondContact OD2-CA 3.36Å; D594-N608 PolarHBondContact OD2-N 2.75Å; D594-N608 PolarHBondContact OD2-OD1 2.89Å; D601-N608 PolarHBondContact OD1-OD1 3.29Å; S602-N608 PolarHBondContact OG-ND2 3.33Å; C603-N608 WeakPolarHBondContact CB-ND2 3.22Å; V606-N608 PolarHBondContact O-N 3.29Å; V606-N608 PolarHBondContact O-OD1 2.79Å; V606-N608 VanDerWaalsContact O-OD1 3.14Å; N608-N610 PolarHBondContact O-N 3.27Å; N608-Q611 VanDerWaalsContact CG-NE2 3.35Å; N608-Q611 PolarHBondContact ND2-NE2 2.96Å; N608-Q611 PolarHBondContact O-N 2.89Å; N608-Q611 PolarHBondContact O-NE2 3.43Å; N608-Q611 VanDerWaalsContact O-NE2 3.11Å; N608-Q611 PolarHBondContact OD1-NE2 3.18Å; N608-Q611 VanDerWaalsContact OD1-NE2 3.15Å; N608-T622 HydrophobicContact CB-CG2 4.39Å
609	P	94.3	Very high	93.3	Very high	87 Å²	87	47 Å²	47	57%	0.565	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-12.6	-169.4	-23.3	30.6	0	0	0	116.2	D594	D594-P609 HydrophobicContact CB-CG 3.9Å; D594-P609 WeakPolarHBondContact O-CG 3.48Å; D594-P609 WeakPolarHBondContact OD2-CA 3.19Å
610	N	93.3	Very high	93.3	Very high	106 Å²	106	44.3 Å²	44.3	57%	0.567	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-8.4	178	61.5	-37.7	0	0	0	113.8	N608 S612	N608-N610 PolarHBondContact O-N 3.27Å; N610-S612 PolarHBondContact ND2-OG 2.89Å; N610-S612 PolarHBondContact O-N 2.87Å; N610-S612 PolarHBondContact O-OG 3.44Å
611	Q	94.4	Very high	93.2	Very high	52 Å²	52	45.4 Å²	45.4	24%	0.243	27%	0.27	C	S	.	.			trans	45.1	42.6	174.9	-60.3	-66.5	-42.3	0	0	112.1	V596 D601 S602 N608	V596-Q611 HydrophobicContact CB-CG 4.45Å; V596-Q611 HydrophobicContact CG1-CG 4.1Å; V596-Q611 HydrophobicContact CG2-CG 3.81Å; D601-Q611 PolarHBondContact OD1-NE2 2.8Å; D601-Q611 PolarHBondContact OD1-OE1 3.45Å; S602-Q611 PolarHBondContact OG-OE1 3.14Å; N608-Q611 VanDerWaalsContact CG-NE2 3.35Å; N608-Q611 PolarHBondContact ND2-NE2 2.96Å; N608-Q611 PolarHBondContact O-N 2.89Å; N608-Q611 PolarHBondContact O-NE2 3.43Å; N608-Q611 VanDerWaalsContact O-NE2 3.11Å; N608-Q611 PolarHBondContact OD1-NE2 3.18Å; N608-Q611 VanDerWaalsContact OD1-NE2 3.15Å
612	S	93.6	Very high	93.2	Very high	41 Å²	41	48.5 Å²	48.5	29%	0.287	29%	0.289	S	S	.	.			trans	-80.5	129.8	-178.7	-59	0	0	0	0	109	N610 G620 D621	N610-S612 PolarHBondContact ND2-OG 2.89Å; N610-S612 PolarHBondContact O-N 2.87Å; N610-S612 PolarHBondContact O-OG 3.44Å; S612-G620 CarbonylContact O-C 3.58Å; S612-G620 WeakPolarHBondContact O-CA 3.45Å; S612-D621 WeakPolarHBondContact CB-OD2 3.39Å; S612-D621 VanDerWaalsContact O-CG 3.27Å; S612-D621 PolarHBondContact O-N 2.79Å
613	D	92.2	Very high	93.1	Very high	38 Å²	38	48.6 Å²	48.6	20%	0.203	29%	0.289	C	S	.	.			trans	-134.1	103.5	179	171.9	-1.3	0	0	0	105.1	D615 D616 D617 L618	D613-D615 PolarHBondContact OD1-N 3.09Å; D613-D616 VanDerWaalsContact OD1-CA 3.29Å; D613-D616 WeakPolarHBondContact OD1-CA 3.48Å; D613-D616 PolarHBondContact OD1-N 2.81Å; D613-D616 WeakPolarHBondContact OD2-CA 3.44Å; D613-D617 PolarHBondContact OD1-N 2.83Å; D613-D617 PolarHBondContact OD2-N 3.44Å; D613-L618 WeakPolarHBondContact OD2-CA 3.31Å; D613-L618 PolarHBondContact OD2-N 3.35Å
614	S	90.3	Very high	93.1	Very high	85 Å²	85	49.9 Å²	49.9	59%	0.594	30%	0.296	S	S	*	.	S	Bend	trans	-84.3	-20.2	-169.9	-64.7	0	0	0	0	113.7	D621	S614-D621 VanDerWaalsContact CB-OD1 3.23Å; S614-D621 WeakPolarHBondContact CB-OD1 3.36Å; S614-D621 PolarHBondContact N-OD1 2.9Å; S614-D621 PolarHBondContact OG-OD1 3.45Å; S614-D621 PolarHBondContact OG-OD2 3.47Å; S614-D621 VanDerWaalsContact OG-OD2 3.07Å
615	D	89.6	Confident	93	Very high	19 Å²	19	52 Å²	52	10%	0.102	31%	0.306	C	S	.	.	S	Bend	trans	-118.3	8.9	-179.5	55.9	-4	0	0	0	113.8	D613 D617 D798 S799	D613-D615 PolarHBondContact OD1-N 3.09Å; D615-D617 VanDerWaalsContact C-N 3.31Å; D615-D617 PolarHBondContact O-N 3.47Å; D615-D798 HydrophobicContact CB-CB 4.36Å; D615-S799 VanDerWaalsContact C-OG 3.23Å; D615-S799 WeakPolarHBondContact CA-OG 3.13Å; D615-S799 WeakPolarHBondContact O-CB 3.32Å; D615-S799 PolarHBondContact O-N 3.37Å; D615-S799 PolarHBondContact O-OG 2.02Å
616	D	91.9	Very high	92.9	Very high	44 Å²	44	52.6 Å²	52.6	24%	0.235	31%	0.309	C	S	.	.	S	Bend	trans	59.3	37.8	168.2	-66.8	-66	0	0	0	112.9	D613 Q728 V730 Y796	D613-D616 VanDerWaalsContact OD1-CA 3.29Å; D613-D616 WeakPolarHBondContact OD1-CA 3.48Å; D613-D616 PolarHBondContact OD1-N 2.81Å; D613-D616 WeakPolarHBondContact OD2-CA 3.44Å; D616-Q728 PolarHBondContact O-NE2 3.21Å; D616-V730 HydrophobicContact CB-CG1 4.17Å; D616-V730 HydrophobicContact CB-CG2 4.4Å; D616-Y796 PolarHBondContact O-OH 2.84Å; D616-Y796 VanDerWaalsContact O-OH 3.1Å
617	D	90.3	Very high	92.9	Very high	31 Å²	31	54 Å²	54	17%	0.166	31%	0.314	C	S	.	.	S	Bend	trans	-97.2	-2	179.3	84.3	-15.4	0	0	0	113.7	D613 D615 V619 D798	D613-D617 PolarHBondContact OD1-N 2.83Å; D613-D617 PolarHBondContact OD2-N 3.44Å; D615-D617 VanDerWaalsContact C-N 3.31Å; D615-D617 PolarHBondContact O-N 3.47Å; D617-V619 VanDerWaalsContact C-N 3.31Å; D617-V619 WeakPolarHBondContact OD1-CA 3.41Å; D617-V619 VanDerWaalsContact OD1-CB 3.29Å; D617-V619 WeakPolarHBondContact OD1-CB 3.3Å; D617-V619 PolarHBondContact OD1-N 2.9Å; D617-D798 HydrophobicContact CB-CB 3.69Å
618	L	92.1	Very high	92.9	Very high	85 Å²	85	53.7 Å²	53.7	45%	0.445	30%	0.304	S	S	.	.	S	Bend	trans	77.9	4.4	-176.5	-46	173.7	0	0	0	114.9	D613 Y767	D613-L618 WeakPolarHBondContact OD2-CA 3.31Å; D613-L618 PolarHBondContact OD2-N 3.35Å; L618-Y767 HydrophobicContact CD1-CD1 4.12Å; L618-Y767 HydrophobicContact CD1-CE1 4.21Å; L618-Y767 HydrophobicContact CD2-CE1 4.47Å
619	V	93.8	Very high	92.9	Very high	24 Å²	24	57.6 Å²	57.6	15%	0.145	33%	0.331	C	S	.	.	S	Bend	trans	-105.9	125.7	172.7	-172.4	0	0	0	0	108.8	D617 D624	D617-V619 VanDerWaalsContact C-N 3.31Å; D617-V619 WeakPolarHBondContact OD1-CA 3.41Å; D617-V619 VanDerWaalsContact OD1-CB 3.29Å; D617-V619 WeakPolarHBondContact OD1-CB 3.3Å; D617-V619 PolarHBondContact OD1-N 2.9Å; V619-D624 HydrophobicContact CB-CB 4.49Å; V619-D624 HydrophobicContact CG1-CB 4.02Å
620	G	93.7	Very high	93	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.307	C	S	.	.			trans	-70	146.4	-175.6	0	0	0	0	0	112.5	S602 C603 S612 T622 C623 D624	S602-G620 PolarHBondContact O-N 2.8Å; S602-G620 WeakPolarHBondContact OG-CA 3.31Å; C603-G620 VanDerWaalsContact SG-CA 3.54Å; C603-G620 PolarHBondContact SG-O 2.91Å; S612-G620 CarbonylContact O-C 3.58Å; S612-G620 WeakPolarHBondContact O-CA 3.45Å; G620-T622 PolarHBondContact O-N 2.73Å; G620-C623 PolarHBondContact O-N 2.88Å; G620-C623 PolarHBondContact O-SG 2.97Å; G620-D624 WeakPolarHBondContact O-CB 3.24Å; G620-D624 PolarHBondContact O-N 2.74Å
621	D	93.4	Very high	93	Very high	66 Å²	66	49.9 Å²	49.9	35%	0.353	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-24.7	-179.1	-69.6	-23.4	0	0	0	114.2	S612 S614	S612-D621 WeakPolarHBondContact CB-OD2 3.39Å; S612-D621 VanDerWaalsContact O-CG 3.27Å; S612-D621 PolarHBondContact O-N 2.79Å; S614-D621 VanDerWaalsContact CB-OD1 3.23Å; S614-D621 WeakPolarHBondContact CB-OD1 3.36Å; S614-D621 PolarHBondContact N-OD1 2.9Å; S614-D621 PolarHBondContact OG-OD1 3.45Å; S614-D621 PolarHBondContact OG-OD2 3.47Å; S614-D621 VanDerWaalsContact OG-OD2 3.07Å
622	T	93.8	Very high	93.1	Very high	77 Å²	77	47.4 Å²	47.4	47%	0.472	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-32.8	-175.8	-56.3	0	0	0	0	112.5	V606 N608 G620	V606-T622 HydrophobicContact CB-CG2 4.49Å; V606-T622 HydrophobicContact CG1-CG2 3.6Å; N608-T622 HydrophobicContact CB-CG2 4.39Å; G620-T622 PolarHBondContact O-N 2.73Å
623	C	92.9	Very high	93.1	Very high	26 Å²	26	46.6 Å²	46.6	18%	0.176	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-8.6	179.6	61.4	0	0	0	0	113.1	S602 C603 G620 D625 Q635	S602-C623 PolarHBondContact O-SG 3.22Å; S602-C623 VanDerWaalsContact O-SG 3.37Å; C603-C623 WeakPolarHBondContact CA-SG 3.42Å; C603-C623 HydrophobicContact CB-CB 3.74Å; C603-C623 WeakPolarHBondContact CB-SG 3.48Å; C603-C623 WeakPolarHBondContact SG-CB 3.33Å; C603-C623 PolarHBondContact SG-N 3.18Å; C603-C623 CovalentContact SG-SG 2.03Å; C603-C623 PolarHBondContact SG-SG 2.85Å; G620-C623 PolarHBondContact O-N 2.88Å; G620-C623 PolarHBondContact O-SG 2.97Å; C623-D625 PolarHBondContact O-N 3.34Å; C623-Q635 PolarHBondContact O-NE2 2.98Å
624	D	93.9	Very high	93.3	Very high	29 Å²	29	47.5 Å²	47.5	16%	0.155	28%	0.28	C	S	.	.			trans	-69.3	119.5	171.2	175.4	11.3	0	0	0	111	V619 G620 N626	V619-D624 HydrophobicContact CB-CB 4.49Å; V619-D624 HydrophobicContact CG1-CB 4.02Å; G620-D624 WeakPolarHBondContact O-CB 3.24Å; G620-D624 PolarHBondContact O-N 2.74Å; D624-N626 PolarHBondContact OD1-N 3.04Å; D624-N626 PolarHBondContact OD1-ND2 3.06Å; D624-N626 PolarHBondContact OD2-ND2 3.13Å
625	D	92.6	Very high	93.5	Very high	69 Å²	69	44 Å²	44	37%	0.369	25%	0.254	S	S	.	.			trans	-110.4	-5.6	173.2	71.2	14.8	0	0	0	113.7	C623 I627	C623-D625 PolarHBondContact O-N 3.34Å; D625-I627 HydrophobicContact CB-CD1 4.42Å; D625-I627 HydrophobicContact CB-CG1 4.09Å; D625-I627 VanDerWaalsContact O-CG1 3.25Å; D625-I627 WeakPolarHBondContact O-CG1 3.31Å; D625-I627 PolarHBondContact O-N 2.92Å; D625-I627 WeakPolarHBondContact OD1-CB 3.37Å; D625-I627 PolarHBondContact OD1-N 3.02Å
626	N	91.2	Very high	93.7	Very high	103 Å²	103	45.1 Å²	45.1	55%	0.551	26%	0.26	S	S	*	.			trans	53.2	19.6	-177	-85.4	-99.3	0	0	0	113.6	D624 D628	D624-N626 PolarHBondContact OD1-N 3.04Å; D624-N626 PolarHBondContact OD1-ND2 3.06Å; D624-N626 PolarHBondContact OD2-ND2 3.13Å; N626-D628 PolarHBondContact O-N 3.17Å
627	I	94.5	Very high	93.7	Very high	95 Å²	95	47.4 Å²	47.4	49%	0.487	28%	0.275	S	S	.	.			trans	-96	95.2	179.8	-45.3	-175.9	0	0	0	108.6	D625 N636	D625-I627 HydrophobicContact CB-CD1 4.42Å; D625-I627 HydrophobicContact CB-CG1 4.09Å; D625-I627 VanDerWaalsContact O-CG1 3.25Å; D625-I627 WeakPolarHBondContact O-CG1 3.31Å; D625-I627 PolarHBondContact O-N 2.92Å; D625-I627 WeakPolarHBondContact OD1-CB 3.37Å; D625-I627 PolarHBondContact OD1-N 3.02Å; I627-N636 WeakPolarHBondContact CG2-ND2 3.28Å; I627-N636 PolarHBondContact O-N 3.06Å; I627-N636 PolarHBondContact O-ND2 3.25Å
628	D	95.3	Very high	93.8	Very high	48 Å²	48	50.3 Å²	50.3	26%	0.257	29%	0.286	S	S	.	.			trans	-111.7	115.2	171.7	170.5	1	0	0	0	108.4	N626 D630 G631 D632 G633	N626-D628 PolarHBondContact O-N 3.17Å; D628-D630 PolarHBondContact OD1-N 2.97Å; D628-G631 WeakPolarHBondContact OD1-CA 3.38Å; D628-G631 PolarHBondContact OD1-N 2.8Å; D628-G631 WeakPolarHBondContact OD2-CA 3.2Å; D628-D632 PolarHBondContact OD2-N 3.01Å; D628-D632 VanDerWaalsContact OD2-N 3.12Å; D628-G633 PolarHBondContact OD2-N 2.95Å
629	S	94.9	Very high	94	Very high	84 Å²	84	46.8 Å²	46.8	59%	0.587	27%	0.268	S	S	*	.	S	Bend	trans	-84.4	-30.9	-172.2	-62.1	0	0	0	0	113.9	N636	S629-N636 WeakPolarHBondContact CB-OD1 3.42Å; S629-N636 PolarHBondContact N-OD1 3.26Å; S629-N636 VanDerWaalsContact OG-CG 3.29Å; S629-N636 PolarHBondContact OG-ND2 3.31Å; S629-N636 PolarHBondContact OG-OD1 2.82Å
630	D	94.9	Very high	94.2	Very high	11 Å²	11	47 Å²	47	6%	0.059	27%	0.268	C	S	.	.	S	Bend	trans	-104.2	-12.9	-176.9	61.9	22	0	0	0	113.4	D628 D632 T643 V644 I645 R911	D628-D630 PolarHBondContact OD1-N 2.97Å; D630-D632 PolarHBondContact OD1-N 2.92Å; D630-T643 PolarHBondContact OD2-N 3.33Å; D630-V644 PolarHBondContact OD2-N 3.25Å; D630-I645 HydrophobicContact CB-CG1 4.29Å; D630-I645 PolarHBondContact OD2-N 2.9Å; D630-R911 WeakPolarHBondContact O-CD 3.44Å; D630-R911 PolarHBondContact O-NH1 2.91Å
631	G	94.7	Very high	94.3	Very high	20 Å²	20	47.1 Å²	47.1	21%	0.206	27%	0.269	C	S	.	.	S	Bend	trans	88	19.1	169.4	0	0	0	0	0	114.1	D628 Q797 R911	D628-G631 WeakPolarHBondContact OD1-CA 3.38Å; D628-G631 PolarHBondContact OD1-N 2.8Å; D628-G631 WeakPolarHBondContact OD2-CA 3.2Å; G631-Q797 PolarHBondContact O-NE2 2.95Å; G631-R911 WeakPolarHBondContact O-CB 3.44Å; G631-R911 PolarHBondContact O-N 3.08Å
632	D	95.4	Very high	94.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	27%	0.267	C	S	.	.	S	Bend	trans	-83.3	-12.3	-173.9	90.7	-19.1	0	0	0	114	D628 D630 H634 I645 N646 S647 Q797	D628-D632 PolarHBondContact OD2-N 3.01Å; D628-D632 VanDerWaalsContact OD2-N 3.12Å; D630-D632 PolarHBondContact OD1-N 2.92Å; D632-H634 IonicContact OD1-CD2 3.47Å; D632-H634 IonicContact OD1-CG 3.33Å; D632-H634 PolarHBondContact OD1-N 2.81Å; D632-H634 IonicContact OD2-CD2 3.82Å; D632-I645 HydrophobicContact CB-CB 4.35Å; D632-I645 HydrophobicContact CB-CG2 3.77Å; D632-N646 PolarHBondContact OD2-N 2.76Å; D632-N646 PolarHBondContact OD2-OD1 2.86Å; D632-S647 PolarHBondContact O-OG 3.34Å; D632-S647 WeakPolarHBondContact OD2-CA 3.21Å; D632-S647 PolarHBondContact OD2-N 3.42Å; D632-Q797 PolarHBondContact O-NE2 3.42Å; D632-Q797 VanDerWaalsContact O-NE2 3.09Å
633	G	94.1	Very high	94.5	Very high	23 Å²	23	48.3 Å²	48.3	24%	0.237	28%	0.28	C	S	.	.	S	Bend	trans	107.3	-3.6	178.4	0	0	0	0	0	114.8	D628 Q797	D628-G633 PolarHBondContact OD2-N 2.95Å; G633-Q797 VanDerWaalsContact CA-CD 3.45Å
634	H	95.3	Very high	94.6	Very high	58 Å²	58	49.6 Å²	49.6	27%	0.269	29%	0.287	S	S	.	.	S	Bend	trans	-104.6	131.1	174.2	-62.7	-77.2	0	0	0	110.2	D632 D639 S647 Q649	D632-H634 IonicContact OD1-CD2 3.47Å; D632-H634 IonicContact OD1-CG 3.33Å; D632-H634 PolarHBondContact OD1-N 2.81Å; D632-H634 IonicContact OD2-CD2 3.82Å; H634-D639 HydrophobicContact CB-CB 3.89Å; H634-S647 PolarHBondContact NE2-O 3Å; H634-Q649 VanDerWaalsContact CD2-CG 3.44Å; H634-Q649 WeakPolarHBondContact CD2-CG 3.19Å; H634-Q649 WeakPolarHBondContact NE2-CG 3.37Å
635	Q	95.1	Very high	94.7	Very high	11 Å²	11	49.8 Å²	49.8	5%	0.051	29%	0.288	C	S	.	.			trans	-67.5	146	174.6	63.7	-180	46.7	0	0	110.9	C623 T637 K638 D639	C623-Q635 PolarHBondContact O-NE2 2.98Å; Q635-T637 PolarHBondContact NE2-OG1 3.41Å; Q635-T637 PolarHBondContact O-N 2.89Å; Q635-K638 HydrophobicContact CG-CB 3.98Å; Q635-K638 HydrophobicContact CG-CG 3.96Å; Q635-K638 PolarHBondContact O-N 2.94Å; Q635-D639 WeakPolarHBondContact O-CB 3.11Å; Q635-D639 PolarHBondContact O-N 3.42Å
636	N	94.4	Very high	94.9	Very high	43 Å²	43	46.6 Å²	46.6	23%	0.23	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.8	-174.1	-62.9	-59.7	0	0	0	114.9	I627 S629 P642	I627-N636 WeakPolarHBondContact CG2-ND2 3.28Å; I627-N636 PolarHBondContact O-N 3.06Å; I627-N636 PolarHBondContact O-ND2 3.25Å; S629-N636 WeakPolarHBondContact CB-OD1 3.42Å; S629-N636 PolarHBondContact N-OD1 3.26Å; S629-N636 VanDerWaalsContact OG-CG 3.29Å; S629-N636 PolarHBondContact OG-ND2 3.31Å; S629-N636 PolarHBondContact OG-OD1 2.82Å; N636-P642 HydrophobicContact CB-CB 4.42Å; N636-P642 PolarHBondContact OD1-O 3.36Å
637	T	91.2	Very high	95.1	Very high	92 Å²	92	41.7 Å²	41.7	56%	0.564	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.5	-179.5	57.4	0	0	0	0	113.7	Q635	Q635-T637 PolarHBondContact NE2-OG1 3.41Å; Q635-T637 PolarHBondContact O-N 2.89Å
638	K	92.9	Very high	95.1	Very high	91 Å²	91	38.7 Å²	38.7	40%	0.396	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-7.7	179.2	-65.5	-62.6	-173	177.6	0	113.1	D605 Q635	D605-K638 IonicContact OD2-NZ 3.94Å; Q635-K638 HydrophobicContact CG-CB 3.98Å; Q635-K638 HydrophobicContact CG-CG 3.96Å; Q635-K638 PolarHBondContact O-N 2.94Å
639	D	96.5	Very high	95.1	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.064	23%	0.228	C	C	.	.			trans	-81.7	125.4	176.2	-172.7	-8.1	0	0	0	111.6	H634 Q635 C641 P642 N646 Q649	H634-D639 HydrophobicContact CB-CB 3.89Å; Q635-D639 WeakPolarHBondContact O-CB 3.11Å; Q635-D639 PolarHBondContact O-N 3.42Å; D639-C641 VanDerWaalsContact C-N 3.27Å; D639-C641 VanDerWaalsContact OD1-C 3.23Å; D639-C641 WeakPolarHBondContact OD1-CA 3.3Å; D639-C641 PolarHBondContact OD1-N 2.79Å; D639-P642 HydrophobicContact CB-CG 4.32Å; D639-P642 WeakPolarHBondContact O-CD 2.97Å; D639-P642 WeakPolarHBondContact O-CG 3.04Å; D639-P642 VanDerWaalsContact OD2-CA 3.23Å; D639-P642 WeakPolarHBondContact OD2-CA 2.96Å; D639-N646 PolarHBondContact OD1-OD1 3.28Å; D639-Q649 PolarHBondContact OD1-NE2 2.91Å
640	N	96.8	Very high	95.1	Very high	28 Å²	28	35.1 Å²	35.1	15%	0.15	21%	0.205	C	C	.	.	S	Bend	trans	-76.2	-11.9	174.8	67	-2.4	0	0	0	113.2	N646 Q649 L650 G658	N640-N646 PolarHBondContact OD1-ND2 2.95Å; N640-Q649 PolarHBondContact ND2-O 3.05Å; N640-Q649 VanDerWaalsContact OD1-CD 3.27Å; N640-Q649 PolarHBondContact OD1-NE2 2.03Å; N640-Q649 PolarHBondContact OD1-OE1 3.35Å; N640-Q649 VanDerWaalsContact OD1-OE1 3.05Å; N640-L650 PolarHBondContact ND2-O 3.22Å; N640-G658 VanDerWaalsContact CG-CA 3.5Å; N640-G658 WeakPolarHBondContact ND2-CA 3.41Å; N640-G658 PolarHBondContact O-N 3.03Å
641	C	96.8	Very high	95.2	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.014	21%	0.211	C	C	.	.	S	Bend	trans	-136	68.5	170.9	-66.8	0	0	0	0	113.6	D639 T643 V644 N646 G658 C661	D639-C641 VanDerWaalsContact C-N 3.27Å; D639-C641 VanDerWaalsContact OD1-C 3.23Å; D639-C641 WeakPolarHBondContact OD1-CA 3.3Å; D639-C641 PolarHBondContact OD1-N 2.79Å; C641-T643 PolarHBondContact O-N 2.73Å; C641-V644 HydrophobicContact CB-CB 4.25Å; C641-V644 PolarHBondContact O-N 2.85Å; C641-V644 VanDerWaalsContact O-O 3.07Å; C641-N646 WeakPolarHBondContact CB-ND2 3.37Å; C641-N646 PolarHBondContact SG-ND2 2.65Å; C641-G658 WeakPolarHBondContact SG-CA 2.95Å; C641-G658 PolarHBondContact SG-O 2.78Å; C641-C661 WeakPolarHBondContact CA-SG 3.06Å; C641-C661 HydrophobicContact CB-CB 3.76Å; C641-C661 WeakPolarHBondContact CB-SG 3.2Å; C641-C661 WeakPolarHBondContact SG-CB 3.29Å; C641-C661 PolarHBondContact SG-N 2.73Å; C641-C661 CovalentContact SG-SG 2.04Å; C641-C661 PolarHBondContact SG-SG 2.86Å
642	P	96.6	Very high	95.2	Very high	49 Å²	49	37.4 Å²	37.4	32%	0.318	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-0.5	-169.8	-27.7	35.7	0	0	0	119.8	N636 D639	N636-P642 HydrophobicContact CB-CB 4.42Å; N636-P642 PolarHBondContact OD1-O 3.36Å; D639-P642 HydrophobicContact CB-CG 4.32Å; D639-P642 WeakPolarHBondContact O-CD 2.97Å; D639-P642 WeakPolarHBondContact O-CG 3.04Å; D639-P642 VanDerWaalsContact OD2-CA 3.23Å; D639-P642 WeakPolarHBondContact OD2-CA 2.96Å
643	T	95.2	Very high	95.2	Very high	120 Å²	120	39.2 Å²	39.2	74%	0.736	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.9	-0.3	-179.8	61.7	0	0	0	0	113.5	D630 C641	D630-T643 PolarHBondContact OD2-N 3.33Å; C641-T643 PolarHBondContact O-N 2.73Å
644	V	95.4	Very high	95.2	Very high	52 Å²	52	46.2 Å²	46.2	32%	0.315	25%	0.247	S	C	.	.	S	Bend	trans	-129	118.5	-177.3	-179.4	0	0	0	0	107.6	D630 C641 N646 E660 C661	D630-V644 PolarHBondContact OD2-N 3.25Å; C641-V644 HydrophobicContact CB-CB 4.25Å; C641-V644 PolarHBondContact O-N 2.85Å; C641-V644 VanDerWaalsContact O-O 3.07Å; V644-N646 PolarHBondContact O-N 2.86Å; V644-N646 VanDerWaalsContact O-N 3.13Å; V644-N646 PolarHBondContact O-OD1 2.9Å; V644-N646 VanDerWaalsContact O-OD1 3.1Å; V644-E660 HydrophobicContact CG1-CB 3.98Å; V644-C661 HydrophobicContact CB-CB 4.34Å; V644-C661 HydrophobicContact CG2-CB 4.18Å
645	I	95.4	Very high	95.3	Very high	34 Å²	34	47.7 Å²	47.7	17%	0.174	26%	0.257	C	S	.	.			trans	-55.6	116.3	-176.8	-56.1	162.6	0	0	0	110.5	D630 D632 R911	D630-I645 HydrophobicContact CB-CG1 4.29Å; D630-I645 PolarHBondContact OD2-N 2.9Å; D632-I645 HydrophobicContact CB-CB 4.35Å; D632-I645 HydrophobicContact CB-CG2 3.77Å; I645-R911 HydrophobicContact CD1-CB 4.05Å; I645-R911 HydrophobicContact CD1-CG 4.19Å; I645-R911 HydrophobicContact CG1-CB 4.18Å; I645-R911 HydrophobicContact CG2-CB 3.74Å; I645-R911 WeakPolarHBondContact CG2-O 3.24Å
646	N	95.6	Very high	95.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	28%	0.28	C	S	.	.			trans	-152.9	63.4	178.2	70.1	-35	0	0	0	111.5	D632 D639 N640 C641 V644 S648 Q649 E660	D632-N646 PolarHBondContact OD2-N 2.76Å; D632-N646 PolarHBondContact OD2-OD1 2.86Å; D639-N646 PolarHBondContact OD1-OD1 3.28Å; N640-N646 PolarHBondContact OD1-ND2 2.95Å; C641-N646 WeakPolarHBondContact CB-ND2 3.37Å; C641-N646 PolarHBondContact SG-ND2 2.65Å; V644-N646 PolarHBondContact O-N 2.86Å; V644-N646 VanDerWaalsContact O-N 3.13Å; V644-N646 PolarHBondContact O-OD1 2.9Å; V644-N646 VanDerWaalsContact O-OD1 3.1Å; N646-S648 PolarHBondContact O-N 2.84Å; N646-Q649 PolarHBondContact ND2-NE2 3.12Å; N646-Q649 PolarHBondContact O-N 2.9Å; N646-Q649 PolarHBondContact O-NE2 3.49Å; N646-Q649 PolarHBondContact OD1-NE2 3.18Å; N646-E660 HydrophobicContact CB-CB 3.81Å; N646-E660 HydrophobicContact CB-CG 3.64Å
647	S	95.5	Very high	95.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.007	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-23.7	-175.6	-56.6	0	0	0	0	114.8	D632 H634 Q649 A769 S771 R911 G912 G913	D632-S647 PolarHBondContact O-OG 3.34Å; D632-S647 WeakPolarHBondContact OD2-CA 3.21Å; D632-S647 PolarHBondContact OD2-N 3.42Å; H634-S647 PolarHBondContact NE2-O 3Å; S647-Q649 VanDerWaalsContact C-N 3.32Å; S647-A769 WeakPolarHBondContact O-CB 3.46Å; S647-S771 PolarHBondContact N-OG 2.61Å; S647-R911 PolarHBondContact OG-O 3.07Å; S647-G912 VanDerWaalsContact OG-C 3.28Å; S647-G912 VanDerWaalsContact OG-CA 3.23Å; S647-G912 WeakPolarHBondContact OG-CA 3.47Å; S647-G913 PolarHBondContact OG-N 2.82Å
648	S	94.8	Very high	95.6	Very high	31 Å²	31	47.3 Å²	47.3	22%	0.217	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-19.2	174.5	51.8	0	0	0	0	114.4	N646 L650 S771	N646-S648 PolarHBondContact O-N 2.84Å; S648-L650 PolarHBondContact O-N 2.91Å; S648-S771 PolarHBondContact OG-OG 3.44Å
649	Q	95.6	Very high	95.7	Very high	37 Å²	37	43.7 Å²	43.7	17%	0.173	25%	0.247	C	C	.	.			trans	49.8	38.6	-178.7	-62.8	-77.4	-65.9	0	0	112.8	H634 D639 N640 N646 S647 D651	H634-Q649 VanDerWaalsContact CD2-CG 3.44Å; H634-Q649 WeakPolarHBondContact CD2-CG 3.19Å; H634-Q649 WeakPolarHBondContact NE2-CG 3.37Å; D639-Q649 PolarHBondContact OD1-NE2 2.91Å; N640-Q649 PolarHBondContact ND2-O 3.05Å; N640-Q649 VanDerWaalsContact OD1-CD 3.27Å; N640-Q649 PolarHBondContact OD1-NE2 2.03Å; N640-Q649 PolarHBondContact OD1-OE1 3.35Å; N640-Q649 VanDerWaalsContact OD1-OE1 3.05Å; N646-Q649 PolarHBondContact ND2-NE2 3.12Å; N646-Q649 PolarHBondContact O-N 2.9Å; N646-Q649 PolarHBondContact O-NE2 3.49Å; N646-Q649 PolarHBondContact OD1-NE2 3.18Å; S647-Q649 VanDerWaalsContact C-N 3.32Å; Q649-D651 PolarHBondContact O-N 3.03Å
650	L	95.3	Very high	95.6	Very high	21 Å²	21	48.1 Å²	48.1	11%	0.11	27%	0.268	C	S	.	.			trans	-64.4	135.8	177.2	-167.7	64	0	0	0	109.1	N640 S648 G658 D659 E715 N716	N640-L650 PolarHBondContact ND2-O 3.22Å; S648-L650 PolarHBondContact O-N 2.91Å; L650-G658 CarbonylContact O-C 3.59Å; L650-G658 WeakPolarHBondContact O-CA 3.44Å; L650-D659 WeakPolarHBondContact CD2-OD2 3.23Å; L650-D659 VanDerWaalsContact CG-OD2 3.24Å; L650-D659 WeakPolarHBondContact CG-OD2 3.24Å; L650-D659 PolarHBondContact O-N 3.07Å; L650-E715 WeakPolarHBondContact CD2-O 3.48Å; L650-N716 HydrophobicContact CD2-CB 4.42Å
651	D	96.2	Very high	95.6	Very high	36 Å²	36	49 Å²	49	19%	0.193	28%	0.275	C	S	.	.			trans	-148.4	82.6	-179.8	175.1	0	0	0	0	106.3	Q649 D653 K654 D655 G656 M657 D659	Q649-D651 PolarHBondContact O-N 3.03Å; D651-D653 PolarHBondContact O-N 3.2Å; D651-K654 WeakPolarHBondContact O-CG 3.33Å; D651-K654 PolarHBondContact O-N 3.18Å; D651-K654 WeakPolarHBondContact OD1-CA 3.28Å; D651-K654 PolarHBondContact OD1-N 3.23Å; D651-K654 WeakPolarHBondContact OD2-CA 3.23Å; D651-D655 PolarHBondContact OD1-N 3.18Å; D651-G656 VanDerWaalsContact OD2-CA 3.31Å; D651-G656 WeakPolarHBondContact OD2-CA 3.48Å; D651-G656 PolarHBondContact OD2-N 2.89Å; D651-M657 VanDerWaalsContact CG-O 3.29Å; D651-D659 WeakPolarHBondContact CA-OD1 3.45Å; D651-D659 PolarHBondContact N-OD1 3.14Å
652	T	95.4	Very high	95.6	Very high	42 Å²	42	50.1 Å²	50.1	26%	0.258	28%	0.281	S	S	.	.	S	Bend	trans	-64.5	-40.3	-166.2	-73.9	0	0	0	0	112.2	D659 D665 L679	T652-D659 WeakPolarHBondContact CB-OD2 3.5Å; T652-D659 PolarHBondContact N-OD1 2.93Å; T652-D659 PolarHBondContact OG1-OD2 3.25Å; T652-D665 VanDerWaalsContact CB-O 3.27Å; T652-D665 WeakPolarHBondContact CB-O 3.24Å; T652-L679 HydrophobicContact CG2-CB 4.13Å; T652-L679 HydrophobicContact CG2-CD2 4.29Å; T652-L679 WeakPolarHBondContact CG2-O 3.43Å
653	D	94.6	Very high	95.6	Very high	40 Å²	40	54.2 Å²	54.2	21%	0.214	30%	0.301	C	S	.	.	S	Bend	trans	-91.5	-11.4	179	66.5	29.9	0	0	0	115.1	D651 D655 D665 N667	D651-D653 PolarHBondContact O-N 3.2Å; D653-D655 VanDerWaalsContact OD1-CB 3.27Å; D653-D655 WeakPolarHBondContact OD1-CB 3.3Å; D653-D655 PolarHBondContact OD1-N 2.69Å; D653-D665 WeakPolarHBondContact CB-O 3.13Å; D653-D665 PolarHBondContact N-O 3.4Å; D653-N667 HydrophobicContact CB-CB 3.91Å; D653-N667 VanDerWaalsContact CG-ND2 3.31Å; D653-N667 WeakPolarHBondContact OD2-CB 3.49Å; D653-N667 PolarHBondContact OD2-ND2 3.03Å
654	K	95.7	Very high	95.7	Very high	169 Å²	169	50 Å²	50	74%	0.735	27%	0.273	S	S	*	.			trans	67.3	34.3	177	-53.3	-177.5	-179	-172.2	0	113.6	D651 G656	D651-K654 WeakPolarHBondContact O-CG 3.33Å; D651-K654 PolarHBondContact O-N 3.18Å; D651-K654 WeakPolarHBondContact OD1-CA 3.28Å; D651-K654 PolarHBondContact OD1-N 3.23Å; D651-K654 WeakPolarHBondContact OD2-CA 3.23Å; K654-G656 VanDerWaalsContact C-N 3.35Å
655	D	95.5	Very high	95.8	Very high	90 Å²	90	47.7 Å²	47.7	48%	0.481	26%	0.259	S	S	.	.	S	Bend	trans	-85.1	-11.6	176.1	95.5	-1.2	0	0	0	113.5	D651 D653 M657 N667	D651-D655 PolarHBondContact OD1-N 3.18Å; D653-D655 VanDerWaalsContact OD1-CB 3.27Å; D653-D655 WeakPolarHBondContact OD1-CB 3.3Å; D653-D655 PolarHBondContact OD1-N 2.69Å; D655-M657 VanDerWaalsContact OD1-CB 3.27Å; D655-M657 WeakPolarHBondContact OD1-CB 3.44Å; D655-M657 PolarHBondContact OD1-N 3.36Å; D655-N667 PolarHBondContact OD2-ND2 2.93Å
656	G	94.7	Very high	95.8	Very high	51 Å²	51	46.6 Å²	46.6	53%	0.526	25%	0.254	S	S	.	.	S	Bend	trans	96	1.2	178.6	0	0	0	0	0	114.7	D651 K654	D651-G656 VanDerWaalsContact OD2-CA 3.31Å; D651-G656 WeakPolarHBondContact OD2-CA 3.48Å; D651-G656 PolarHBondContact OD2-N 2.89Å; K654-G656 VanDerWaalsContact C-N 3.35Å
657	M	96.4	Very high	95.9	Very high	86 Å²	86	50.8 Å²	50.8	42%	0.424	28%	0.276	S	S	.	.	S	Bend	trans	-93.8	137.5	162.4	-166.4	161.9	-60.5	0	0	108.6	D651 D655 D662	D651-M657 VanDerWaalsContact CG-O 3.29Å; D655-M657 VanDerWaalsContact OD1-CB 3.27Å; D655-M657 WeakPolarHBondContact OD1-CB 3.44Å; D655-M657 PolarHBondContact OD1-N 3.36Å; M657-D662 HydrophobicContact CG-CB 4.05Å; M657-D662 HydrophobicContact SD-CB 4.28Å
658	G	96.6	Very high	95.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.281	C	S	.	.			trans	-83.7	149.6	177.2	0	0	0	0	0	112.2	N640 C641 L650 E660 C661 D662	N640-G658 VanDerWaalsContact CG-CA 3.5Å; N640-G658 WeakPolarHBondContact ND2-CA 3.41Å; N640-G658 PolarHBondContact O-N 3.03Å; C641-G658 WeakPolarHBondContact SG-CA 2.95Å; C641-G658 PolarHBondContact SG-O 2.78Å; L650-G658 CarbonylContact O-C 3.59Å; L650-G658 WeakPolarHBondContact O-CA 3.44Å; G658-E660 PolarHBondContact O-N 2.99Å; G658-E660 VanDerWaalsContact O-N 3.09Å; G658-C661 CarbonylContact O-C 3.58Å; G658-C661 PolarHBondContact O-N 2.91Å; G658-C661 PolarHBondContact O-SG 2.76Å; G658-D662 PolarHBondContact O-N 3.32Å
659	D	96	Very high	96	Very high	15 Å²	15	52.8 Å²	52.8	8%	0.08	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-52.6	-37.9	-175.1	-65.3	23.9	0	0	0	112.9	L650 D651 T652 C661 D662 D665	L650-D659 WeakPolarHBondContact CD2-OD2 3.23Å; L650-D659 VanDerWaalsContact CG-OD2 3.24Å; L650-D659 WeakPolarHBondContact CG-OD2 3.24Å; L650-D659 PolarHBondContact O-N 3.07Å; D651-D659 WeakPolarHBondContact CA-OD1 3.45Å; D651-D659 PolarHBondContact N-OD1 3.14Å; T652-D659 WeakPolarHBondContact CB-OD2 3.5Å; T652-D659 PolarHBondContact N-OD1 2.93Å; T652-D659 PolarHBondContact OG1-OD2 3.25Å; D659-C661 PolarHBondContact O-N 3.22Å; D659-C661 VanDerWaalsContact O-N 3.15Å; D659-D662 PolarHBondContact O-N 2.85Å; D659-D665 WeakPolarHBondContact CA-OD1 3.37Å; D659-D665 WeakPolarHBondContact CB-OD1 3.23Å
660	E	94.6	Very high	96.1	Very high	106 Å²	106	53.2 Å²	53.2	50%	0.495	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-66.8	-17.6	179.7	-69.2	-73.3	165.8	0	0	114.2	V644 N646 G658	V644-E660 HydrophobicContact CG1-CB 3.98Å; N646-E660 HydrophobicContact CB-CB 3.81Å; N646-E660 HydrophobicContact CB-CG 3.64Å; G658-E660 PolarHBondContact O-N 2.99Å; G658-E660 VanDerWaalsContact O-N 3.09Å
661	C	95.8	Very high	96.1	Very high	45 Å²	45	55 Å²	55	30%	0.304	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-124.1	4.2	177.3	70.6	0	0	0	0	114.5	C641 V644 G658 D659	C641-C661 WeakPolarHBondContact CA-SG 3.06Å; C641-C661 HydrophobicContact CB-CB 3.76Å; C641-C661 WeakPolarHBondContact CB-SG 3.2Å; C641-C661 WeakPolarHBondContact SG-CB 3.29Å; C641-C661 PolarHBondContact SG-N 2.73Å; C641-C661 CovalentContact SG-SG 2.04Å; C641-C661 PolarHBondContact SG-SG 2.86Å; V644-C661 HydrophobicContact CB-CB 4.34Å; V644-C661 HydrophobicContact CG2-CB 4.18Å; G658-C661 CarbonylContact O-C 3.58Å; G658-C661 PolarHBondContact O-N 2.91Å; G658-C661 PolarHBondContact O-SG 2.76Å; D659-C661 PolarHBondContact O-N 3.22Å; D659-C661 VanDerWaalsContact O-N 3.15Å
662	D	97	Very high	96.1	Very high	26 Å²	26	55 Å²	55	14%	0.139	31%	0.313	C	S	.	.			trans	-85.2	156	165.7	-149.4	-37.8	0	0	0	110.1	M657 G658 D659 D664	M657-D662 HydrophobicContact CG-CB 4.05Å; M657-D662 HydrophobicContact SD-CB 4.28Å; G658-D662 PolarHBondContact O-N 3.32Å; D659-D662 PolarHBondContact O-N 2.85Å; D662-D664 PolarHBondContact OD1-N 2.81Å
663	D	96.5	Very high	96.1	Very high	136 Å²	136	58.5 Å²	58.5	73%	0.727	34%	0.34	S	S	*	.	S	Bend	trans	-107.5	-3	171.3	-71.6	-45.6	0	0	0	111.5	P671 D672	D663-P671 CarbonylContact O-C 3.5Å; D663-P671 WeakPolarHBondContact O-CA 3.36Å; D663-D672 WeakPolarHBondContact CA-OD2 3.41Å; D663-D672 PolarHBondContact O-N 2.81Å
664	D	97.1	Very high	96.1	Very high	30 Å²	30	63.9 Å²	63.9	16%	0.16	36%	0.363	C	S	.	.			trans	-147.8	72.1	-176.3	-172.6	0	0	0	0	110.8	D662 D666 N667 D668 G669 D672	D662-D664 PolarHBondContact OD1-N 2.81Å; D664-D666 PolarHBondContact O-N 3.44Å; D664-N667 PolarHBondContact O-N 3.44Å; D664-N667 VanDerWaalsContact O-N 3.08Å; D664-N667 WeakPolarHBondContact OD1-CA 3.43Å; D664-N667 PolarHBondContact OD1-N 3.09Å; D664-D668 PolarHBondContact OD1-N 3.12Å; D664-G669 VanDerWaalsContact OD2-CA 3.31Å; D664-G669 WeakPolarHBondContact OD2-CA 3.37Å; D664-G669 PolarHBondContact OD2-N 2.82Å; D664-D672 WeakPolarHBondContact CA-OD1 3.05Å; D664-D672 PolarHBondContact N-OD2 3.07Å
665	D	96.9	Very high	96.1	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.027	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.6	-169.2	-74.2	-15.6	0	0	0	114.9	T652 D653 D659 D672 R678 L679	T652-D665 VanDerWaalsContact CB-O 3.27Å; T652-D665 WeakPolarHBondContact CB-O 3.24Å; D653-D665 WeakPolarHBondContact CB-O 3.13Å; D653-D665 PolarHBondContact N-O 3.4Å; D659-D665 WeakPolarHBondContact CA-OD1 3.37Å; D659-D665 WeakPolarHBondContact CB-OD1 3.23Å; D665-D672 PolarHBondContact N-OD1 2.69Å; D665-R678 HydrophobicContact CB-CG 4.11Å; D665-R678 WeakPolarHBondContact CB-O 3.46Å; D665-R678 WeakPolarHBondContact OD2-CD 3.42Å; D665-R678 VanDerWaalsContact OD2-CG 3.24Å; D665-R678 WeakPolarHBondContact OD2-CG 3.07Å; D665-R678 IonicContact OD2-NE 3.28Å; D665-R678 PolarHBondContact OD2-NE 2.61Å; D665-L679 HydrophobicContact CB-CD2 4.15Å
666	D	96.3	Very high	96.1	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.053	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	2.4	-176.9	77.1	7.3	0	0	0	114.1	D664 D668 R678 V680 P681	D664-D666 PolarHBondContact O-N 3.44Å; D666-D668 PolarHBondContact O-N 3.48Å; D666-D668 WeakPolarHBondContact OD1-CB 3.42Å; D666-D668 PolarHBondContact OD1-N 3.04Å; D666-R678 WeakPolarHBondContact CB-O 3.35Å; D666-V680 PolarHBondContact OD2-N 3.17Å; D666-P681 HydrophobicContact CB-CG 3.92Å; D666-P681 WeakPolarHBondContact OD2-CA 3.21Å
667	N	96.9	Very high	96.2	Very high	89 Å²	89	51.1 Å²	51.1	48%	0.476	29%	0.291	S	S	.	.			trans	53.6	31.9	178.1	-110.5	-49.3	0	0	0	113.8	D653 D655 D664 G669	D653-N667 HydrophobicContact CB-CB 3.91Å; D653-N667 VanDerWaalsContact CG-ND2 3.31Å; D653-N667 WeakPolarHBondContact OD2-CB 3.49Å; D653-N667 PolarHBondContact OD2-ND2 3.03Å; D655-N667 PolarHBondContact OD2-ND2 2.93Å; D664-N667 PolarHBondContact O-N 3.44Å; D664-N667 VanDerWaalsContact O-N 3.08Å; D664-N667 WeakPolarHBondContact OD1-CA 3.43Å; D664-N667 PolarHBondContact OD1-N 3.09Å; N667-G669 VanDerWaalsContact C-N 3.33Å
668	D	96.8	Very high	96.1	Very high	21 Å²	21	50 Å²	50	11%	0.112	28%	0.282	C	S	.	.	S	Bend	trans	-84	-11.1	178.7	98.1	1.7	0	0	0	113.7	D664 D666 I670 P681 N682 S683	D664-D668 PolarHBondContact OD1-N 3.12Å; D666-D668 PolarHBondContact O-N 3.48Å; D666-D668 WeakPolarHBondContact OD1-CB 3.42Å; D666-D668 PolarHBondContact OD1-N 3.04Å; D668-I670 VanDerWaalsContact OD1-CB 3.29Å; D668-I670 WeakPolarHBondContact OD1-CB 3.23Å; D668-I670 VanDerWaalsContact OD1-CG1 3.29Å; D668-I670 WeakPolarHBondContact OD1-CG1 3.44Å; D668-I670 PolarHBondContact OD1-N 2.96Å; D668-P681 HydrophobicContact CB-CB 3.91Å; D668-N682 WeakPolarHBondContact OD2-CA 3.5Å; D668-N682 PolarHBondContact OD2-N 3.09Å; D668-N682 PolarHBondContact OD2-OD1 3.34Å; D668-S683 PolarHBondContact O-OG 3.32Å; D668-S683 VanDerWaalsContact OD2-CA 3.31Å; D668-S683 WeakPolarHBondContact OD2-CA 3.43Å; D668-S683 PolarHBondContact OD2-N 3.4Å
669	G	95.8	Very high	96.1	Very high	54 Å²	54	50.4 Å²	50.4	56%	0.557	28%	0.284	S	S	*	.	S	Bend	trans	95.4	6.2	178.4	0	0	0	0	0	115.2	D664 N667	D664-G669 VanDerWaalsContact OD2-CA 3.31Å; D664-G669 WeakPolarHBondContact OD2-CA 3.37Å; D664-G669 PolarHBondContact OD2-N 2.82Å; N667-G669 VanDerWaalsContact C-N 3.33Å
670	I	97.3	Very high	96.1	Very high	46 Å²	46	49.8 Å²	49.8	24%	0.236	28%	0.281	C	S	.	.	S	Bend	trans	-106.8	123.3	171.4	-56.1	-61.1	0	0	0	108.5	D668 E674 D675 Q685	D668-I670 VanDerWaalsContact OD1-CB 3.29Å; D668-I670 WeakPolarHBondContact OD1-CB 3.23Å; D668-I670 VanDerWaalsContact OD1-CG1 3.29Å; D668-I670 WeakPolarHBondContact OD1-CG1 3.44Å; D668-I670 PolarHBondContact OD1-N 2.96Å; I670-E674 HydrophobicContact CG2-CB 4.33Å; I670-D675 WeakPolarHBondContact CB-OD2 3.34Å; I670-D675 HydrophobicContact CG2-CB 4.05Å; I670-Q685 HydrophobicContact CD1-CG 4.45Å; I670-Q685 HydrophobicContact CG1-CG 4.01Å; I670-Q685 HydrophobicContact CG2-CG 4.4Å
671	P	96.9	Very high	96.2	Very high	59 Å²	59	48.9 Å²	48.9	38%	0.383	28%	0.284	S	S	.	.			trans	-66.1	145.9	-180	-19.1	30.9	0	0	0	112.4	D663 S673 E674 D675	D663-P671 CarbonylContact O-C 3.5Å; D663-P671 WeakPolarHBondContact O-CA 3.36Å; P671-S673 PolarHBondContact O-N 3.06Å; P671-E674 CarbonylContact O-C 3.55Å; P671-E674 WeakPolarHBondContact O-CA 3.49Å; P671-E674 PolarHBondContact O-N 3.3Å; P671-D675 PolarHBondContact O-N 2.83Å; P671-D675 VanDerWaalsContact O-N 3.11Å
672	D	95.1	Very high	96.2	Very high	34 Å²	34	47.1 Å²	47.1	18%	0.182	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-51.8	-37.7	-172.7	-53.7	-36.8	0	0	0	113.9	D663 D664 D665 E674 D675 R678	D663-D672 WeakPolarHBondContact CA-OD2 3.41Å; D663-D672 PolarHBondContact O-N 2.81Å; D664-D672 WeakPolarHBondContact CA-OD1 3.05Å; D664-D672 PolarHBondContact N-OD2 3.07Å; D665-D672 PolarHBondContact N-OD1 2.69Å; D672-E674 PolarHBondContact O-N 2.72Å; D672-D675 PolarHBondContact O-N 3.45Å; D672-R678 HydrophobicContact CB-CG 3.83Å
673	S	94.9	Very high	96.1	Very high	117 Å²	117	49.9 Å²	49.9	82%	0.818	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-66	-18.9	179.9	67.3	0	0	0	0	114.4	P671	P671-S673 PolarHBondContact O-N 3.06Å
674	E	95.5	Very high	96.1	Very high	153 Å²	153	49.1 Å²	49.1	72%	0.715	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-113	-3.4	177.1	-61.5	-170.1	-174.1	0	0	112.6	I670 P671 D672	I670-E674 HydrophobicContact CG2-CB 4.33Å; P671-E674 CarbonylContact O-C 3.55Å; P671-E674 WeakPolarHBondContact O-CA 3.49Å; P671-E674 PolarHBondContact O-N 3.3Å; D672-E674 PolarHBondContact O-N 2.72Å
675	D	96.6	Very high	96	Very high	21 Å²	21	50 Å²	50	11%	0.112	29%	0.292	C	S	.	.			trans	-85.9	133.7	-178	-151.7	-49.1	0	0	0	112.4	I670 P671 D672 C677 N682 Q685	I670-D675 WeakPolarHBondContact CB-OD2 3.34Å; I670-D675 HydrophobicContact CG2-CB 4.05Å; P671-D675 PolarHBondContact O-N 2.83Å; P671-D675 VanDerWaalsContact O-N 3.11Å; D672-D675 PolarHBondContact O-N 3.45Å; D675-C677 VanDerWaalsContact OD1-C 3.26Å; D675-C677 WeakPolarHBondContact OD1-CA 3.43Å; D675-C677 PolarHBondContact OD1-N 3.31Å; D675-N682 PolarHBondContact OD1-OD1 2.89Å; D675-Q685 PolarHBondContact OD1-NE2 3.05Å; D675-Q685 PolarHBondContact OD2-NE2 3.03Å
676	N	94.8	Very high	96	Very high	20 Å²	20	54.8 Å²	54.8	11%	0.107	31%	0.313	C	S	.	.	S	Bend	trans	-91.4	-6.4	173.9	70.7	-4.5	0	0	0	114.5	N682 Q685 K692 G694 C697	N676-N682 PolarHBondContact OD1-ND2 3.4Å; N676-Q685 PolarHBondContact ND2-O 3.39Å; N676-Q685 PolarHBondContact OD1-OE1 3.36Å; N676-Q685 VanDerWaalsContact OD1-OE1 3.06Å; N676-K692 WeakPolarHBondContact CB-O 3.35Å; N676-G694 VanDerWaalsContact CG-CA 3.48Å; N676-G694 VanDerWaalsContact ND2-CA 3.29Å; N676-G694 WeakPolarHBondContact ND2-CA 3.42Å; N676-G694 PolarHBondContact O-N 3.1Å; N676-C697 PolarHBondContact O-SG 3.3Å
677	C	95.6	Very high	95.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-141	65.5	172.4	-73.8	0	0	0	0	111.2	D675 L679 V680 N682 G694 C697	D675-C677 VanDerWaalsContact OD1-C 3.26Å; D675-C677 WeakPolarHBondContact OD1-CA 3.43Å; D675-C677 PolarHBondContact OD1-N 3.31Å; C677-L679 PolarHBondContact O-N 2.92Å; C677-V680 HydrophobicContact CB-CB 4.25Å; C677-V680 PolarHBondContact O-N 3.04Å; C677-N682 WeakPolarHBondContact CB-ND2 3.3Å; C677-G694 WeakPolarHBondContact SG-CA 3.47Å; C677-G694 PolarHBondContact SG-O 3.35Å; C677-G694 VanDerWaalsContact SG-O 3.33Å; C677-C697 WeakPolarHBondContact CA-SG 3.47Å; C677-C697 HydrophobicContact CB-CB 3.74Å; C677-C697 WeakPolarHBondContact CB-SG 3.18Å; C677-C697 WeakPolarHBondContact SG-CB 3.44Å; C677-C697 PolarHBondContact SG-N 3.42Å; C677-C697 CovalentContact SG-SG 2.04Å; C677-C697 PolarHBondContact SG-SG 2.68Å
678	R	95.6	Very high	95.8	Very high	63 Å²	63	56 Å²	56	24%	0.238	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42	-37.6	-175.6	-165.8	179.4	76.2	-120.6	1.3	116	D665 D666 D672 F701 E715	D665-R678 HydrophobicContact CB-CG 4.11Å; D665-R678 WeakPolarHBondContact CB-O 3.46Å; D665-R678 WeakPolarHBondContact OD2-CD 3.42Å; D665-R678 VanDerWaalsContact OD2-CG 3.24Å; D665-R678 WeakPolarHBondContact OD2-CG 3.07Å; D665-R678 IonicContact OD2-NE 3.28Å; D665-R678 PolarHBondContact OD2-NE 2.61Å; D666-R678 WeakPolarHBondContact CB-O 3.35Å; D672-R678 HydrophobicContact CB-CG 3.83Å; R678-F701 HydrophobicContact CB-CE1 4.49Å; R678-F701 HydrophobicContact CB-CZ 4.04Å; R678-E715 IonicContact CZ-OE2 3.44Å; R678-E715 IonicContact NH1-OE2 3.9Å; R678-E715 PolarHBondContact NH1-OE2 3.5Å; R678-E715 IonicContact NH2-OE2 3.7Å; R678-E715 PolarHBondContact NH2-OE2 2.94Å
679	L	95.6	Very high	95.6	Very high	9 Å²	9	59.7 Å²	59.7	5%	0.047	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	1	-174.1	-52.6	179.1	0	0	0	113.6	T652 D665 C677 F701 D702 E715	T652-L679 HydrophobicContact CG2-CB 4.13Å; T652-L679 HydrophobicContact CG2-CD2 4.29Å; T652-L679 WeakPolarHBondContact CG2-O 3.43Å; D665-L679 HydrophobicContact CB-CD2 4.15Å; C677-L679 PolarHBondContact O-N 2.92Å; L679-F701 HydrophobicContact CD1-CD1 3.86Å; L679-F701 HydrophobicContact CD1-CE1 3.81Å; L679-F701 HydrophobicContact CG-CD1 4.32Å; L679-F701 HydrophobicContact CG-CE1 3.89Å; L679-D702 HydrophobicContact CD1-CB 3.73Å; L679-E715 HydrophobicContact CD1-CB 4.18Å
680	V	96.1	Very high	95.3	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.012	36%	0.357	C	S	.	.	S	Bend	trans	-136.3	109.2	-169.5	-179.3	0	0	0	0	111.2	D666 C677 N682 A696 C697 F701 K703	D666-V680 PolarHBondContact OD2-N 3.17Å; C677-V680 HydrophobicContact CB-CB 4.25Å; C677-V680 PolarHBondContact O-N 3.04Å; V680-N682 PolarHBondContact O-N 3.38Å; V680-N682 VanDerWaalsContact O-N 3.11Å; V680-N682 PolarHBondContact O-OD1 3.06Å; V680-A696 HydrophobicContact CG1-CB 4.3Å; V680-C697 HydrophobicContact CB-CB 4.14Å; V680-C697 HydrophobicContact CG2-CB 3.99Å; V680-F701 WeakPolarHBondContact CG2-O 3.29Å; V680-K703 HydrophobicContact CG1-CD 3.73Å; V680-K703 VanDerWaalsContact CG1-NZ 3.35Å; V680-K703 HydrophobicContact CG2-CB 3.77Å; V680-K703 HydrophobicContact CG2-CD 4.09Å
681	P	96.5	Very high	94.8	Very high	86 Å²	86	66 Å²	66	56%	0.558	36%	0.364	S	S	*	.			trans	-56.1	117.5	-171.1	-28.8	33.8	0	0	0	113.5	D666 D668	D666-P681 HydrophobicContact CB-CG 3.92Å; D666-P681 WeakPolarHBondContact OD2-CA 3.21Å; D668-P681 HydrophobicContact CB-CB 3.91Å
682	N	95.9	Very high	94.4	Very high	8 Å²	8	71.6 Å²	71.6	4%	0.043	38%	0.382	C	S	.	.			trans	-150.9	62.1	-176.8	75.1	-30.2	0	0	0	113.4	D668 D675 N676 C677 V680 D684 Q685 A696	D668-N682 WeakPolarHBondContact OD2-CA 3.5Å; D668-N682 PolarHBondContact OD2-N 3.09Å; D668-N682 PolarHBondContact OD2-OD1 3.34Å; D675-N682 PolarHBondContact OD1-OD1 2.89Å; N676-N682 PolarHBondContact OD1-ND2 3.4Å; C677-N682 WeakPolarHBondContact CB-ND2 3.3Å; V680-N682 PolarHBondContact O-N 3.38Å; V680-N682 VanDerWaalsContact O-N 3.11Å; V680-N682 PolarHBondContact O-OD1 3.06Å; N682-D684 PolarHBondContact O-N 2.83Å; N682-Q685 PolarHBondContact O-N 3.44Å; N682-Q685 PolarHBondContact O-NE2 3.34Å; N682-Q685 PolarHBondContact OD1-NE2 3.07Å; N682-A696 HydrophobicContact CB-CB 3.68Å
683	S	95.8	Very high	94.3	Very high	84 Å²	84	72 Å²	72	59%	0.587	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-6.4	-174.3	-33.4	0	0	0	0	116.6	D668	D668-S683 PolarHBondContact O-OG 3.32Å; D668-S683 VanDerWaalsContact OD2-CA 3.31Å; D668-S683 WeakPolarHBondContact OD2-CA 3.43Å; D668-S683 PolarHBondContact OD2-N 3.4Å
684	D	95.3	Very high	94.3	Very high	120 Å²	120	66.5 Å²	66.5	64%	0.642	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-9.3	171.6	73.2	-23.8	0	0	0	114.4	N682 K686	N682-D684 PolarHBondContact O-N 2.83Å; D684-K686 PolarHBondContact O-N 3.32Å
685	Q	96.3	Very high	94.2	Very high	48 Å²	48	61.9 Å²	61.9	22%	0.224	33%	0.327	C	S	.	.			trans	49.1	43.4	173.9	-65.5	-73.4	-51.1	0	0	111.3	I670 D675 N676 N682 D687	I670-Q685 HydrophobicContact CD1-CG 4.45Å; I670-Q685 HydrophobicContact CG1-CG 4.01Å; I670-Q685 HydrophobicContact CG2-CG 4.4Å; D675-Q685 PolarHBondContact OD1-NE2 3.05Å; D675-Q685 PolarHBondContact OD2-NE2 3.03Å; N676-Q685 PolarHBondContact ND2-O 3.39Å; N676-Q685 PolarHBondContact OD1-OE1 3.36Å; N676-Q685 VanDerWaalsContact OD1-OE1 3.06Å; N682-Q685 PolarHBondContact O-N 3.44Å; N682-Q685 PolarHBondContact O-NE2 3.34Å; N682-Q685 PolarHBondContact OD1-NE2 3.07Å; Q685-D687 PolarHBondContact O-N 3.34Å
686	K	96.7	Very high	94.1	Very high	107 Å²	107	63 Å²	63	47%	0.465	34%	0.339	S	S	.	.			trans	-79.4	116.3	-173.2	-175.6	172.3	174.6	-79.5	0	110.2	D684 S688 D695	D684-K686 PolarHBondContact O-N 3.32Å; K686-S688 PolarHBondContact NZ-OG 3.25Å; K686-D695 IonicContact NZ-OD2 2.62Å; K686-D695 PolarHBondContact NZ-OD2 2.77Å; K686-D695 WeakPolarHBondContact O-CB 3.43Å; K686-D695 PolarHBondContact O-N 3.43Å
687	D	94.7	Very high	94.1	Very high	43 Å²	43	62.1 Å²	62.1	23%	0.23	34%	0.335	C	S	.	.			trans	-129.3	109.3	175.8	167.7	-0.6	0	0	0	107.8	Q685 D689 M690 K692	Q685-D687 PolarHBondContact O-N 3.34Å; D687-D689 PolarHBondContact OD1-N 2.89Å; D687-M690 WeakPolarHBondContact OD1-CA 3.12Å; D687-M690 PolarHBondContact OD1-N 3.19Å; D687-M690 VanDerWaalsContact OD2-CA 3.29Å; D687-M690 WeakPolarHBondContact OD2-CA 3.45Å; D687-K692 PolarHBondContact OD2-N 2.05Å; D687-K692 VanDerWaalsContact OD2-N 3.15Å
688	S	94.9	Very high	93.9	Very high	82 Å²	82	66.5 Å²	66.5	57%	0.573	36%	0.355	S	S	*	.	S	Bend	trans	-84.1	-27.5	-170.6	-69.9	0	0	0	0	114.1	K686 D695	K686-S688 PolarHBondContact NZ-OG 3.25Å; S688-D695 VanDerWaalsContact CB-OD1 3.32Å; S688-D695 WeakPolarHBondContact CB-OD1 3.48Å; S688-D695 PolarHBondContact N-OD1 2.84Å; S688-D695 PolarHBondContact OG-OD1 3.09Å; S688-D695 PolarHBondContact OG-OD2 3.06Å
689	D	91.1	Very high	93.6	Very high	98 Å²	98	65.1 Å²	65.1	52%	0.524	36%	0.36	S	S	.	.	S	Bend	trans	-111	-3.1	-176.8	55.1	-1.9	0	0	0	114.4	D687	D687-D689 PolarHBondContact OD1-N 2.89Å
690	M	90	Very high	93.4	Very high	162 Å²	162	66.1 Å²	66.1	80%	0.798	37%	0.366	S	S	*	.			trans	65.9	36.1	170.4	-55.2	173.9	-69.6	0	0	113.9	D687	D687-M690 WeakPolarHBondContact OD1-CA 3.12Å; D687-M690 PolarHBondContact OD1-N 3.19Å; D687-M690 VanDerWaalsContact OD2-CA 3.29Å; D687-M690 WeakPolarHBondContact OD2-CA 3.45Å
691	D	87.4	Confident	93.3	Very high	71 Å²	71	67.3 Å²	67.3	38%	0.38	37%	0.371	S	S	.	.	S	Bend	trans	-91.4	-1.9	177.1	78.4	-11.7	0	0	0	113.6	V693	D691-V693 VanDerWaalsContact C-N 3.33Å; D691-V693 PolarHBondContact OD1-N 3.41Å
692	K	89.1	Confident	93.2	Very high	175 Å²	175	63.7 Å²	63.7	76%	0.761	35%	0.347	S	S	*	.	S	Bend	trans	78.9	4.2	-177.5	-49.1	173	177.4	-179.5	0	115.2	N676 D687	N676-K692 WeakPolarHBondContact CB-O 3.35Å; D687-K692 PolarHBondContact OD2-N 2.05Å; D687-K692 VanDerWaalsContact OD2-N 3.15Å
693	V	91.8	Very high	93.1	Very high	44 Å²	44	69 Å²	69	27%	0.267	37%	0.37	S	S	.	.	S	Bend	trans	-96.1	135	164	-176.6	0	0	0	0	106.9	D691	D691-V693 VanDerWaalsContact C-N 3.33Å; D691-V693 PolarHBondContact OD1-N 3.41Å
694	G	94.3	Very high	93	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.348	C	S	.	.			trans	-76.7	149	179.9	0	0	0	0	0	111.9	N676 C677 A696 C697 E698	N676-G694 VanDerWaalsContact CG-CA 3.48Å; N676-G694 VanDerWaalsContact ND2-CA 3.29Å; N676-G694 WeakPolarHBondContact ND2-CA 3.42Å; N676-G694 PolarHBondContact O-N 3.1Å; C677-G694 WeakPolarHBondContact SG-CA 3.47Å; C677-G694 PolarHBondContact SG-O 3.35Å; C677-G694 VanDerWaalsContact SG-O 3.33Å; G694-A696 PolarHBondContact O-N 2.75Å; G694-C697 PolarHBondContact O-N 3.11Å; G694-C697 VanDerWaalsContact O-N 3.13Å; G694-C697 PolarHBondContact O-SG 3.07Å; G694-E698 PolarHBondContact O-N 3.04Å
695	D	94.8	Very high	92.9	Very high	57 Å²	57	67.5 Å²	67.5	31%	0.305	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-18.3	177.1	-68.5	-4.9	0	0	0	113	K686 S688	K686-D695 IonicContact NZ-OD2 2.62Å; K686-D695 PolarHBondContact NZ-OD2 2.77Å; K686-D695 WeakPolarHBondContact O-CB 3.43Å; K686-D695 PolarHBondContact O-N 3.43Å; S688-D695 VanDerWaalsContact CB-OD1 3.32Å; S688-D695 WeakPolarHBondContact CB-OD1 3.48Å; S688-D695 PolarHBondContact N-OD1 2.84Å; S688-D695 PolarHBondContact OG-OD1 3.09Å; S688-D695 PolarHBondContact OG-OD2 3.06Å
696	A	94.7	Very high	92.8	Very high	44 Å²	44	66.5 Å²	66.5	36%	0.364	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-26.2	-176.2	0	0	0	0	0	113.9	V680 N682 G694	V680-A696 HydrophobicContact CG1-CB 4.3Å; N682-A696 HydrophobicContact CB-CB 3.68Å; G694-A696 PolarHBondContact O-N 2.75Å
697	C	93.8	Very high	92.5	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.014	35%	0.351	C	S	.	.	S	Bend	trans	-124	13.9	-176.4	61	0	0	0	0	111.9	N676 C677 V680 G694 G699 D700	N676-C697 PolarHBondContact O-SG 3.3Å; C677-C697 WeakPolarHBondContact CA-SG 3.47Å; C677-C697 HydrophobicContact CB-CB 3.74Å; C677-C697 WeakPolarHBondContact CB-SG 3.18Å; C677-C697 WeakPolarHBondContact SG-CB 3.44Å; C677-C697 PolarHBondContact SG-N 3.42Å; C677-C697 CovalentContact SG-SG 2.04Å; C677-C697 PolarHBondContact SG-SG 2.68Å; V680-C697 HydrophobicContact CB-CB 4.14Å; V680-C697 HydrophobicContact CG2-CB 3.99Å; G694-C697 PolarHBondContact O-N 3.11Å; G694-C697 VanDerWaalsContact O-N 3.13Å; G694-C697 PolarHBondContact O-SG 3.07Å; C697-G699 PolarHBondContact O-N 2.8Å; C697-D700 CarbonylContact C-O 3.51Å; C697-D700 CarbonylContact O-C 3.51Å; C697-D700 PolarHBondContact O-N 3.32Å
698	E	91.8	Very high	92.2	Very high	91 Å²	91	65 Å²	65	43%	0.425	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	114.9	-178.8	-177.4	63	-156.7	0	0	111.7	G694 D700	G694-E698 PolarHBondContact O-N 3.04Å; E698-D700 VanDerWaalsContact C-N 3.28Å; E698-D700 PolarHBondContact O-N 2.9Å
699	G	88.3	Confident	91.8	Very high	34 Å²	34	65.2 Å²	65.2	35%	0.351	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	1.6	176.7	0	0	0	0	0	115.8	C697 I707 D708	C697-G699 PolarHBondContact O-N 2.8Å; G699-I707 VanDerWaalsContact O-CA 3.28Å; G699-I707 WeakPolarHBondContact O-CA 2.94Å; G699-I707 WeakPolarHBondContact O-CB 3.5Å; G699-D708 PolarHBondContact O-N 3.22Å
700	D	93.3	Very high	91.7	Very high	30 Å²	30	65.1 Å²	65.1	16%	0.16	34%	0.341	C	S	.	.			trans	-156.7	86.6	174.7	177.7	-1.3	0	0	0	106.7	C697 E698 K703 D704 N705 D708	C697-D700 CarbonylContact C-O 3.51Å; C697-D700 CarbonylContact O-C 3.51Å; C697-D700 PolarHBondContact O-N 3.32Å; E698-D700 VanDerWaalsContact C-N 3.28Å; E698-D700 PolarHBondContact O-N 2.9Å; D700-K703 WeakPolarHBondContact OD1-CA 3.47Å; D700-K703 PolarHBondContact OD1-N 3.15Å; D700-D704 PolarHBondContact OD1-N 2.8Å; D700-N705 VanDerWaalsContact OD2-CA 3.32Å; D700-N705 WeakPolarHBondContact OD2-CA 3.5Å; D700-N705 PolarHBondContact OD2-N 3.04Å; D700-N705 VanDerWaalsContact OD2-N 3.13Å; D700-D708 VanDerWaalsContact CA-OD1 3.29Å; D700-D708 WeakPolarHBondContact CA-OD1 3.41Å; D700-D708 PolarHBondContact N-OD1 3.3Å
701	F	93.7	Very high	91.8	Very high	27 Å²	27	57.5 Å²	57.5	12%	0.118	30%	0.303	C	S	.	.	S	Bend	trans	-73	-31.8	-164.4	-177.2	-91.6	0	0	0	113.4	R678 L679 V680 D708 P714 E715	R678-F701 HydrophobicContact CB-CE1 4.49Å; R678-F701 HydrophobicContact CB-CZ 4.04Å; L679-F701 HydrophobicContact CD1-CD1 3.86Å; L679-F701 HydrophobicContact CD1-CE1 3.81Å; L679-F701 HydrophobicContact CG-CD1 4.32Å; L679-F701 HydrophobicContact CG-CE1 3.89Å; V680-F701 WeakPolarHBondContact CG2-O 3.29Å; F701-D708 PolarHBondContact N-OD1 3.2Å; F701-P714 WeakPolarHBondContact CB-O 3.32Å; F701-P714 WeakPolarHBondContact CD1-O 3.48Å; F701-E715 HydrophobicContact CD1-CG 3.81Å; F701-E715 HydrophobicContact CE1-CG 3.91Å
702	D	93.8	Very high	92.1	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.059	29%	0.29	C	S	.	.	S	Bend	trans	-103.3	-2.9	177.5	63.9	21.2	0	0	0	113.9	L679 D704 C713 N716 A717	L679-D702 HydrophobicContact CD1-CB 3.73Å; D702-D704 VanDerWaalsContact C-N 3.33Å; D702-D704 PolarHBondContact O-N 3.36Å; D702-D704 WeakPolarHBondContact OD1-CB 3.05Å; D702-D704 PolarHBondContact OD1-N 3.18Å; D702-C713 VanDerWaalsContact OD2-O 3.13Å; D702-N716 WeakPolarHBondContact OD2-CA 3.17Å; D702-N716 PolarHBondContact OD2-N 3.4Å; D702-A717 HydrophobicContact CB-CB 4.05Å; D702-A717 PolarHBondContact OD2-N 3.01Å; D702-A717 VanDerWaalsContact OD2-N 3.15Å
703	K	94.1	Very high	92.3	Very high	119 Å²	119	46.9 Å²	46.9	52%	0.517	25%	0.254	S	S	.	.			trans	65.4	32.6	171.3	-155.3	177.6	-168	158	0	114.1	V680 D700 N705	V680-K703 HydrophobicContact CG1-CD 3.73Å; V680-K703 VanDerWaalsContact CG1-NZ 3.35Å; V680-K703 HydrophobicContact CG2-CB 3.77Å; V680-K703 HydrophobicContact CG2-CD 4.09Å; D700-K703 WeakPolarHBondContact OD1-CA 3.47Å; D700-K703 PolarHBondContact OD1-N 3.15Å; K703-N705 VanDerWaalsContact C-N 3.26Å; K703-N705 PolarHBondContact O-N 2.92Å
704	D	93.4	Very high	92.4	Very high	25 Å²	25	45 Å²	45	13%	0.134	24%	0.243	C	C	.	.	S	Bend	trans	-84.9	1.6	177.4	77.3	10.7	0	0	0	114	D700 D702 V706 A717 T720	D700-D704 PolarHBondContact OD1-N 2.8Å; D702-D704 VanDerWaalsContact C-N 3.33Å; D702-D704 PolarHBondContact O-N 3.36Å; D702-D704 WeakPolarHBondContact OD1-CB 3.05Å; D702-D704 PolarHBondContact OD1-N 3.18Å; D704-V706 WeakPolarHBondContact OD1-CA 3.25Å; D704-V706 VanDerWaalsContact OD1-CB 3.24Å; D704-V706 WeakPolarHBondContact OD1-CB 3.46Å; D704-V706 PolarHBondContact OD1-N 3.22Å; D704-A717 HydrophobicContact CB-CB 3.9Å; D704-T720 HydrophobicContact CB-CG2 4.38Å; D704-T720 WeakPolarHBondContact OD2-CG2 3.06Å
705	N	93.2	Very high	92.4	Very high	148 Å²	148	48 Å²	48	79%	0.791	26%	0.257	S	S	*	.	S	Bend	trans	77.8	11.6	-176.2	-45.6	-90.6	0	0	0	115.1	D700 K703	D700-N705 VanDerWaalsContact OD2-CA 3.32Å; D700-N705 WeakPolarHBondContact OD2-CA 3.5Å; D700-N705 PolarHBondContact OD2-N 3.04Å; D700-N705 VanDerWaalsContact OD2-N 3.13Å; K703-N705 VanDerWaalsContact C-N 3.26Å; K703-N705 PolarHBondContact O-N 2.92Å
706	V	93.6	Very high	92.3	Very high	26 Å²	26	46 Å²	46	16%	0.158	25%	0.246	C	C	.	.	S	Bend	trans	-109.4	131.6	171.2	-175.4	0	0	0	0	108.6	D704 I710 D711 T720	D704-V706 WeakPolarHBondContact OD1-CA 3.25Å; D704-V706 VanDerWaalsContact OD1-CB 3.24Å; D704-V706 WeakPolarHBondContact OD1-CB 3.46Å; D704-V706 PolarHBondContact OD1-N 3.22Å; V706-I710 HydrophobicContact CG1-CD1 4.03Å; V706-I710 HydrophobicContact CG1-CG1 3.57Å; V706-D711 HydrophobicContact CB-CB 4.44Å; V706-D711 HydrophobicContact CG1-CB 3.88Å; V706-T720 HydrophobicContact CB-CG2 4.09Å; V706-T720 HydrophobicContact CG2-CG2 3.42Å; V706-T720 VanDerWaalsContact CG2-CG2 3.42Å
707	I	91.4	Very high	92.2	Very high	88 Å²	88	46.3 Å²	46.3	45%	0.451	25%	0.248	S	C	.	.			trans	-74.9	142.9	-177.1	62.3	175.3	0	0	0	110.6	G699 I709 I710 D711	G699-I707 VanDerWaalsContact O-CA 3.28Å; G699-I707 WeakPolarHBondContact O-CA 2.94Å; G699-I707 WeakPolarHBondContact O-CB 3.5Å; I707-I709 PolarHBondContact O-N 3.3Å; I707-I710 HydrophobicContact CD1-CD1 4.41Å; I707-I710 HydrophobicContact CD1-CG2 4.47Å; I707-I710 HydrophobicContact CG1-CB 4.49Å; I707-I710 HydrophobicContact CG1-CD1 3.81Å; I707-I710 HydrophobicContact CG1-CG1 3.66Å; I707-I710 HydrophobicContact CG1-CG2 4.37Å; I707-I710 WeakPolarHBondContact O-CG1 3.37Å; I707-I710 PolarHBondContact O-N 3.35Å; I707-D711 WeakPolarHBondContact O-CB 3.46Å; I707-D711 PolarHBondContact O-N 2.84Å
708	D	88.4	Confident	92	Very high	31 Å²	31	51.6 Å²	51.6	17%	0.166	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-31.1	-174.6	-58.3	-15.8	0	0	0	114.8	G699 D700 F701 P714	G699-D708 PolarHBondContact O-N 3.22Å; D700-D708 VanDerWaalsContact CA-OD1 3.29Å; D700-D708 WeakPolarHBondContact CA-OD1 3.41Å; D700-D708 PolarHBondContact N-OD1 3.3Å; F701-D708 PolarHBondContact N-OD1 3.2Å; D708-P714 HydrophobicContact CB-CB 4.17Å; D708-P714 HydrophobicContact CB-CG 4.38Å
709	I	86.4	Confident	92.1	Very high	87 Å²	87	47.6 Å²	47.6	45%	0.446	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-34.8	-176.6	-61.5	172.9	0	0	0	111.7	I707	I707-I709 PolarHBondContact O-N 3.3Å
710	I	88.6	Confident	92.3	Very high	96 Å²	96	48.3 Å²	48.3	49%	0.492	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-13.2	178.8	71.5	-176.3	0	0	0	112	V706 I707 L721	V706-I710 HydrophobicContact CG1-CD1 4.03Å; V706-I710 HydrophobicContact CG1-CG1 3.57Å; I707-I710 HydrophobicContact CD1-CD1 4.41Å; I707-I710 HydrophobicContact CD1-CG2 4.47Å; I707-I710 HydrophobicContact CG1-CB 4.49Å; I707-I710 HydrophobicContact CG1-CD1 3.81Å; I707-I710 HydrophobicContact CG1-CG1 3.66Å; I707-I710 HydrophobicContact CG1-CG2 4.37Å; I707-I710 WeakPolarHBondContact O-CG1 3.37Å; I707-I710 PolarHBondContact O-N 3.35Å; I710-L721 WeakPolarHBondContact O-CD2 3.19Å
711	D	92.3	Very high	92.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.266	C	S	.	.			trans	-72.5	129.5	176.3	-168.9	-7.9	0	0	0	111.6	V706 I707 C713 P714	V706-D711 HydrophobicContact CB-CB 4.44Å; V706-D711 HydrophobicContact CG1-CB 3.88Å; I707-D711 WeakPolarHBondContact O-CB 3.46Å; I707-D711 PolarHBondContact O-N 2.84Å; D711-C713 PolarHBondContact OD1-N 2.92Å; D711-P714 HydrophobicContact CB-CG 4.12Å; D711-P714 VanDerWaalsContact OD2-CA 3.3Å; D711-P714 WeakPolarHBondContact OD2-CA 3.23Å
712	H	93.3	Very high	92.3	Very high	23 Å²	23	49.9 Å²	49.9	11%	0.106	26%	0.262	C	S	.	.	S	Bend	trans	-78.7	-22.6	176.8	-71.8	-178.7	0	0	0	112.5	T720 T722 K931 Y932 R933 C934	H712-T720 PolarHBondContact N-O 3.21Å; H712-T722 PolarHBondContact CE1-OG1 3.15Å; H712-T722 PolarHBondContact ND1-N 3.23Å; H712-T722 VanDerWaalsContact ND1-N 3.15Å; H712-T722 PolarHBondContact ND1-OG1 2.75Å; H712-K931 WeakPolarHBondContact NE2-CE 3.12Å; H712-Y932 WeakPolarHBondContact CB-O 3.41Å; H712-Y932 VanDerWaalsContact CG-O 3.32Å; H712-Y932 PolarHBondContact ND1-O 3.36Å; H712-R933 CarbonylContact O-C 3.14Å; H712-R933 VanDerWaalsContact O-CA 3.29Å; H712-R933 WeakPolarHBondContact O-CA 3.29Å; H712-R933 WeakPolarHBondContact O-CG 3.29Å; H712-C934 PolarHBondContact O-N 3.45Å
713	C	94.4	Very high	92.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.274	C	S	.	.			trans	-139	74.5	174	-62.1	0	0	0	0	111.4	D702 D711 E715 N716 V719 C934	D702-C713 VanDerWaalsContact OD2-O 3.13Å; D711-C713 PolarHBondContact OD1-N 2.92Å; C713-E715 PolarHBondContact O-N 3.35Å; C713-N716 HydrophobicContact CB-CB 3.98Å; C713-N716 PolarHBondContact O-N 3.4Å; C713-V719 HydrophobicContact CB-CB 4.05Å; C713-V719 HydrophobicContact CB-CG1 4.31Å; C713-V719 VanDerWaalsContact CB-O 3.31Å; C713-V719 WeakPolarHBondContact CB-O 3.21Å; C713-C934 HydrophobicContact CB-CB 3.62Å; C713-C934 WeakPolarHBondContact CB-SG 3.41Å; C713-C934 WeakPolarHBondContact SG-CB 3.15Å; C713-C934 PolarHBondContact SG-N 3.11Å; C713-C934 CovalentContact SG-SG 2.03Å; C713-C934 PolarHBondContact SG-SG 2.03Å
714	P	93.4	Very high	92.4	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.032	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	0.9	-177.4	-20	30.7	0	0	0	116.8	F701 D708 D711	F701-P714 WeakPolarHBondContact CB-O 3.32Å; F701-P714 WeakPolarHBondContact CD1-O 3.48Å; D708-P714 HydrophobicContact CB-CB 4.17Å; D708-P714 HydrophobicContact CB-CG 4.38Å; D711-P714 HydrophobicContact CB-CG 4.12Å; D711-P714 VanDerWaalsContact OD2-CA 3.3Å; D711-P714 WeakPolarHBondContact OD2-CA 3.23Å
715	E	92.8	Very high	92.3	Very high	64 Å²	64	51.4 Å²	51.4	30%	0.299	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	24.2	178.2	-61.5	-174.6	-141.9	0	0	109.8	R440 L650 R678 L679 F701 C713	R440-E715 IonicContact CZ-OE1 2.86Å; R440-E715 IonicContact NH1-OE1 3.24Å; R440-E715 PolarHBondContact NH1-OE1 2.72Å; R440-E715 IonicContact NH2-OE1 3.56Å; R440-E715 PolarHBondContact NH2-OE1 3.25Å; L650-E715 WeakPolarHBondContact CD2-O 3.48Å; R678-E715 IonicContact CZ-OE2 3.44Å; R678-E715 IonicContact NH1-OE2 3.9Å; R678-E715 PolarHBondContact NH1-OE2 3.5Å; R678-E715 IonicContact NH2-OE2 3.7Å; R678-E715 PolarHBondContact NH2-OE2 2.94Å; L679-E715 HydrophobicContact CD1-CB 4.18Å; F701-E715 HydrophobicContact CD1-CG 3.81Å; F701-E715 HydrophobicContact CE1-CG 3.91Å; C713-E715 PolarHBondContact O-N 3.35Å
716	N	93.8	Very high	92.1	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.07	25%	0.252	C	S	.	.			trans	-154.4	96.4	-177.8	-175.2	-26.9	0	0	0	110.3	L650 D702 C713 E718 V719	L650-N716 HydrophobicContact CD2-CB 4.42Å; D702-N716 WeakPolarHBondContact OD2-CA 3.17Å; D702-N716 PolarHBondContact OD2-N 3.4Å; C713-N716 HydrophobicContact CB-CB 3.98Å; C713-N716 PolarHBondContact O-N 3.4Å; N716-E718 PolarHBondContact O-N 3.05Å; N716-E718 WeakPolarHBondContact OD1-CB 3.37Å; N716-E718 PolarHBondContact OD1-N 3.4Å; N716-V719 PolarHBondContact O-N 2.9Å
717	A	92.1	Very high	92.1	Very high	51 Å²	51	49 Å²	49	42%	0.421	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-9.3	-177.4	0	0	0	0	0	114.8	D702 D704	D702-A717 HydrophobicContact CB-CB 4.05Å; D702-A717 PolarHBondContact OD2-N 3.01Å; D702-A717 VanDerWaalsContact OD2-N 3.15Å; D704-A717 HydrophobicContact CB-CB 3.9Å
718	E	90.6	Very high	92.2	Very high	114 Å²	114	45.5 Å²	45.5	53%	0.533	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.2	176.2	-51.1	-158	156.2	0	0	114	N716 K768	N716-E718 PolarHBondContact O-N 3.05Å; N716-E718 WeakPolarHBondContact OD1-CB 3.37Å; N716-E718 PolarHBondContact OD1-N 3.4Å; E718-K768 WeakPolarHBondContact O-CE 3.1Å; E718-K768 PolarHBondContact O-NZ 2.65Å; E718-K768 IonicContact OE2-NZ 2.7Å; E718-K768 PolarHBondContact OE2-NZ 2.76Å
719	V	92.5	Very high	92.4	Very high	6 Å²	6	47 Å²	47	4%	0.036	25%	0.249	C	C	.	.			trans	-133.6	82.9	-171.4	-170.3	0	0	0	0	112	C713 N716 K768 F770 Y932	C713-V719 HydrophobicContact CB-CB 4.05Å; C713-V719 HydrophobicContact CB-CG1 4.31Å; C713-V719 VanDerWaalsContact CB-O 3.31Å; C713-V719 WeakPolarHBondContact CB-O 3.21Å; N716-V719 PolarHBondContact O-N 2.9Å; V719-K768 HydrophobicContact CG2-CB 4.29Å; V719-K768 HydrophobicContact CG2-CD 3.86Å; V719-K768 HydrophobicContact CG2-CG 4.06Å; V719-F770 HydrophobicContact CG1-CE1 4.25Å; V719-F770 HydrophobicContact CG1-CZ 4.44Å; V719-Y932 HydrophobicContact CG1-CE2 3.67Å
720	T	92.3	Very high	92.8	Very high	50 Å²	50	42.9 Å²	42.9	31%	0.307	23%	0.227	S	C	.	.			trans	-75.4	-52.7	179	49.3	0	0	0	0	114.6	D704 V706 H712	D704-T720 HydrophobicContact CB-CG2 4.38Å; D704-T720 WeakPolarHBondContact OD2-CG2 3.06Å; V706-T720 HydrophobicContact CB-CG2 4.09Å; V706-T720 HydrophobicContact CG2-CG2 3.42Å; V706-T720 VanDerWaalsContact CG2-CG2 3.42Å; H712-T720 PolarHBondContact N-O 3.21Å
721	L	92.9	Very high	93	Very high	85 Å²	85	40 Å²	40	45%	0.445	22%	0.215	S	C	.	.	S	Bend	trans	-136.9	169.9	-170.9	-68.1	174.6	0	0	0	110.6	I710 D723 Y932	I710-L721 WeakPolarHBondContact O-CD2 3.19Å; L721-D723 PolarHBondContact O-N 2.77Å; L721-Y932 PolarHBondContact O-OH 2.73Å
722	T	94.9	Very high	93	Very high	5 Å²	5	40 Å²	40	3%	0.031	21%	0.214	C	C	.	.			trans	-73.3	119.4	172.3	-65.2	0	0	0	0	111.1	H712 F724 M751 L930 K931 Y932	H712-T722 PolarHBondContact CE1-OG1 3.15Å; H712-T722 PolarHBondContact ND1-N 3.23Å; H712-T722 VanDerWaalsContact ND1-N 3.15Å; H712-T722 PolarHBondContact ND1-OG1 2.75Å; T722-F724 HydrophobicContact CG2-CD2 4.01Å; T722-F724 HydrophobicContact CG2-CE2 3.88Å; T722-M751 HydrophobicContact CG2-CG 4.18Å; T722-M751 WeakPolarHBondContact O-CG 3.18Å; T722-L930 HydrophobicContact CG2-CB 4.23Å; T722-L930 VanDerWaalsContact CG2-O 3.31Å; T722-L930 WeakPolarHBondContact CG2-O 3.45Å; T722-K931 WeakPolarHBondContact OG1-CA 3.49Å; T722-Y932 VanDerWaalsContact CA-CZ 3.47Å; T722-Y932 WeakPolarHBondContact CA-OH 3.44Å; T722-Y932 HydrophobicContact CG2-CD1 3.73Å; T722-Y932 HydrophobicContact CG2-CE1 3.61Å; T722-Y932 HydrophobicContact CG2-CG 4.43Å; T722-Y932 PolarHBondContact OG1-N 2.71Å
723	D	95.3	Very high	92.9	Very high	57 Å²	57	39 Å²	39	31%	0.305	21%	0.21	S	C	.	.			trans	-147	110	-178.6	-171.4	-6.5	0	0	0	111.1	L721 R725 Y932	L721-D723 PolarHBondContact O-N 2.77Å; D723-R725 WeakPolarHBondContact OD1-CB 3.03Å; D723-R725 WeakPolarHBondContact OD1-CG 3.42Å; D723-R725 IonicContact OD1-CZ 2.65Å; D723-R725 PolarHBondContact OD1-N 3Å; D723-R725 IonicContact OD1-NE 3.24Å; D723-R725 PolarHBondContact OD1-NE 3.32Å; D723-R725 IonicContact OD2-CZ 3.34Å; D723-R725 VanDerWaalsContact OD2-CZ 3.29Å; D723-R725 IonicContact OD2-NE 3Å; D723-R725 PolarHBondContact OD2-NE 2.97Å; D723-R725 VanDerWaalsContact OD2-NE 3.07Å; D723-R725 IonicContact OD2-NH2 3.01Å; D723-R725 PolarHBondContact OD2-NH2 3.21Å; D723-Y932 PolarHBondContact N-OH 3.16Å
724	F	95.4	Very high	92.4	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.009	23%	0.233	C	C	.	.			trans	-104.8	18.2	171.8	-71.6	-89.3	0	0	0	113.4	T722 A726 Y727 G750 I753 F775 L915 L930 Y932	T722-F724 HydrophobicContact CG2-CD2 4.01Å; T722-F724 HydrophobicContact CG2-CE2 3.88Å; F724-A726 VanDerWaalsContact C-N 3.28Å; F724-A726 PolarHBondContact O-N 3.43Å; F724-Y727 VanDerWaalsContact O-CD1 3.28Å; F724-Y727 WeakPolarHBondContact O-CD1 3.42Å; F724-G750 WeakPolarHBondContact CB-O 3.15Å; F724-G750 WeakPolarHBondContact CD2-O 2.93Å; F724-G750 PolarHBondContact N-O 3.19Å; F724-I753 HydrophobicContact CB-CD1 3.8Å; F724-I753 HydrophobicContact CB-CG1 4.39Å; F724-I753 HydrophobicContact CD1-CD1 4.37Å; F724-I753 HydrophobicContact CG-CD1 4.07Å; F724-F775 HydrophobicContact CE2-CE2 4.25Å; F724-F775 HydrophobicContact CZ-CE2 4.19Å; F724-F775 HydrophobicContact CZ-CZ 4.27Å; F724-L915 HydrophobicContact CE1-CB 4.33Å; F724-L915 HydrophobicContact CZ-CB 4.1Å; F724-L930 HydrophobicContact CD2-CD1 3.87Å; F724-L930 HydrophobicContact CE2-CB 4.38Å; F724-L930 HydrophobicContact CE2-CD1 4.09Å; F724-Y932 HydrophobicContact CD2-CE1 4.33Å; F724-Y932 AromaticContact CE2-CD1 3.74Å; F724-Y932 HydrophobicContact CE2-CD1 3.74Å; F724-Y932 AromaticContact CE2-CE1 3.67Å; F724-Y932 HydrophobicContact CE2-CE1 3.67Å; F724-Y932 AromaticContact CZ-CD1 3.94Å; F724-Y932 HydrophobicContact CZ-CD1 3.94Å; F724-Y932 AromaticContact CZ-CE1 3.97Å; F724-Y932 HydrophobicContact CZ-CE1 3.97Å
725	R	90	Very high	91.5	Very high	128 Å²	128	50 Å²	50	48%	0.483	27%	0.267	S	S	.	.	S	Bend	trans	-63.3	-36.3	176.6	-68.8	177.1	-66.8	-176.2	-0.2	112.3	D723 V746 Q749	D723-R725 WeakPolarHBondContact OD1-CB 3.03Å; D723-R725 WeakPolarHBondContact OD1-CG 3.42Å; D723-R725 IonicContact OD1-CZ 2.65Å; D723-R725 PolarHBondContact OD1-N 3Å; D723-R725 IonicContact OD1-NE 3.24Å; D723-R725 PolarHBondContact OD1-NE 3.32Å; D723-R725 IonicContact OD2-CZ 3.34Å; D723-R725 VanDerWaalsContact OD2-CZ 3.29Å; D723-R725 IonicContact OD2-NE 3Å; D723-R725 PolarHBondContact OD2-NE 2.97Å; D723-R725 VanDerWaalsContact OD2-NE 3.07Å; D723-R725 IonicContact OD2-NH2 3.01Å; D723-R725 PolarHBondContact OD2-NH2 3.21Å; R725-V746 HydrophobicContact CG-CG1 4Å; R725-Q749 PolarHBondContact NE-O 2.77Å
726	A	89.3	Confident	90	Very high	61 Å²	61	47.2 Å²	47.2	50%	0.504	26%	0.255	S	S	.	.	S	Bend	trans	-97.1	114.8	170	0	0	0	0	0	108.9	F724 Y767	F724-A726 VanDerWaalsContact C-N 3.28Å; F724-A726 PolarHBondContact O-N 3.43Å; A726-Y767 HydrophobicContact CB-CD2 3.86Å; A726-Y767 HydrophobicContact CB-CE2 4.1Å; A726-Y767 WeakPolarHBondContact O-CD2 3.47Å
727	Y	93.5	Very high	88.3	Confident	61 Å²	61	53.5 Å²	53.5	24%	0.239	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150	-179.7	63.6	-84.5	0	0	0	111.2	F724 T729 W744 V746 A764 V765	F724-Y727 VanDerWaalsContact O-CD1 3.28Å; F724-Y727 WeakPolarHBondContact O-CD1 3.42Å; Y727-T729 WeakPolarHBondContact CE2-OG1 3.28Å; Y727-W744 HydrophobicContact CE2-CB 4.04Å; Y727-W744 AromaticContact CE2-CD1 3.75Å; Y727-W744 HydrophobicContact CE2-CG 4.08Å; Y727-V746 HydrophobicContact CD1-CG2 4.07Å; Y727-V746 HydrophobicContact CE1-CG2 3.62Å; Y727-A764 HydrophobicContact CD2-CB 3.72Å; Y727-A764 HydrophobicContact CE2-CB 4.22Å; Y727-A764 HydrophobicContact CG-CB 4.34Å; Y727-V765 CarbonylContact C-O 3.59Å; Y727-V765 WeakPolarHBondContact CA-O 3.46Å; Y727-V765 WeakPolarHBondContact CB-O 3.39Å
728	Q	93.8	Very high	86.8	Confident	16 Å²	16	53.7 Å²	53.7	8%	0.075	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.4	167.7	-174.7	-178.6	6.5	0	0	109	D616 V730 A764 V765 Y767 R914	D616-Q728 PolarHBondContact O-NE2 3.21Å; Q728-V730 HydrophobicContact CG-CG2 3.98Å; Q728-A764 WeakPolarHBondContact O-CA 3.4Å; Q728-V765 PolarHBondContact N-O 2.93Å; Q728-V765 PolarHBondContact O-N 3.28Å; Q728-Y767 HydrophobicContact CB-CE1 4.19Å; Q728-R914 VanDerWaalsContact OE1-CZ 3.26Å
729	T	92.9	Very high	85.5	Confident	62 Å²	62	55 Å²	55	38%	0.38	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.3	169.3	-60.5	0	0	0	0	108.8	Y727 L763	Y727-T729 WeakPolarHBondContact CE2-OG1 3.28Å; T729-L763 WeakPolarHBondContact CA-O 3.21Å
730	V	94.8	Very high	85	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.1	-179.9	-175.7	0	0	0	0	108.9	D616 Q728 L732 G762 L763 V765 Y796	D616-V730 HydrophobicContact CB-CG1 4.17Å; D616-V730 HydrophobicContact CB-CG2 4.4Å; Q728-V730 HydrophobicContact CG-CG2 3.98Å; V730-L732 HydrophobicContact CG1-CD2 3.92Å; V730-G762 CarbonylContact O-C 3.47Å; V730-G762 VanDerWaalsContact O-CA 3.23Å; V730-G762 WeakPolarHBondContact O-CA 3.24Å; V730-L763 HydrophobicContact CB-CB 4.07Å; V730-L763 HydrophobicContact CB-CD1 4.18Å; V730-L763 HydrophobicContact CB-CG 4.39Å; V730-L763 HydrophobicContact CG1-CD1 4.33Å; V730-L763 PolarHBondContact N-O 2.78Å; V730-L763 PolarHBondContact O-N 2.78Å; V730-V765 HydrophobicContact CG2-CG2 3.97Å; V730-Y796 HydrophobicContact CG2-CE2 4.32Å; V730-Y796 WeakPolarHBondContact CG2-OH 3.19Å
731	V	92.5	Very high	84.6	Confident	37 Å²	37	60.9 Å²	60.9	22%	0.224	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.2	-179	-179.5	0	0	0	0	109.4
732	L	93.1	Very high	84.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-91.3	-4.8	-171.8	-57.6	178.1	0	0	0	114	V730 P761 L763 F802 G840 M843 L847 F918	V730-L732 HydrophobicContact CG1-CD2 3.92Å; L732-P761 HydrophobicContact CB-CB 4.06Å; L732-P761 HydrophobicContact CB-CG 4.05Å; L732-P761 WeakPolarHBondContact CB-O 3.11Å; L732-P761 HydrophobicContact CD1-CB 4.45Å; L732-P761 PolarHBondContact N-O 3.05Å; L732-L763 HydrophobicContact CD1-CD1 4.15Å; L732-L763 HydrophobicContact CD1-CD2 4.14Å; L732-L763 HydrophobicContact CD1-CG 3.95Å; L732-L763 HydrophobicContact CD2-CD1 4.06Å; L732-L763 HydrophobicContact CD2-CG 4.46Å; L732-L763 HydrophobicContact CG-CD1 4.41Å; L732-L763 HydrophobicContact CG-CG 4.31Å; L732-F802 HydrophobicContact CD1-CZ 4.09Å; L732-F802 HydrophobicContact CD2-CE1 4.41Å; L732-F802 HydrophobicContact CD2-CZ 4.46Å; L732-G840 PolarHBondContact O-N 3.07Å; L732-M843 HydrophobicContact CD1-CE 4.44Å; L732-M843 HydrophobicContact CD2-CE 3.99Å; L732-L847 HydrophobicContact CB-CD1 4.47Å; L732-L847 HydrophobicContact CD1-CD1 3.73Å; L732-F918 HydrophobicContact CD1-CD2 4.49Å; L732-F918 HydrophobicContact CD1-CE2 4.2Å
733	D	90.6	Very high	84.4	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.016	32%	0.322	C	S	.	.			trans	-141.2	70.6	171.2	-171.5	34.4	0	0	0	112.2	E735 G736 P761 R844	D733-E735 PolarHBondContact O-N 2.85Å; D733-E735 VanDerWaalsContact O-N 3.15Å; D733-G736 PolarHBondContact O-N 3.23Å; D733-G736 VanDerWaalsContact O-N 3.12Å; D733-G736 WeakPolarHBondContact OD2-CA 3.12Å; D733-P761 HydrophobicContact CB-CG 3.97Å; D733-R844 HydrophobicContact CB-CB 4.29Å; D733-R844 HydrophobicContact CB-CG 4.38Å; D733-R844 IonicContact OD1-NH1 2.77Å; D733-R844 PolarHBondContact OD1-NH1 2.97Å; D733-R844 WeakPolarHBondContact OD2-CD 3.24Å; D733-R844 IonicContact OD2-CZ 3.38Å; D733-R844 IonicContact OD2-NE 2.61Å; D733-R844 IonicContact OD2-NH1 3.5Å; D733-R844 PolarHBondContact OD2-NH1 3.39Å
734	P	83.8	Confident	84.3	Confident	74 Å²	74	59.1 Å²	59.1	48%	0.481	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.4	-177.8	26.6	-34.8	0	0	0	113.6	P839	P734-P839 HydrophobicContact CG-CB 4.42Å
735	E	74.3	Confident	84.2	Confident	162 Å²	162	61.8 Å²	61.8	76%	0.757	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	6.7	178.4	-58.8	-165.8	159.2	0	0	113.6	D733	D733-E735 PolarHBondContact O-N 2.85Å; D733-E735 VanDerWaalsContact O-N 3.15Å
736	G	62.6	Low	84.3	Confident	4 Å²	4	57.6 Å²	57.6	4%	0.041	32%	0.316	C	S	.	.			trans	-59.9	155.4	-173.4	0	0	0	0	0	115.4	D733 Q739	D733-G736 PolarHBondContact O-N 3.23Å; D733-G736 VanDerWaalsContact O-N 3.12Å; D733-G736 WeakPolarHBondContact OD2-CA 3.12Å; G736-Q739 WeakPolarHBondContact O-CG 2.94Å
737	D	56.3	Low	84.5	Confident	146 Å²	146	57.4 Å²	57.4	78%	0.781	31%	0.307	S	S	*	.	S	Bend	trans	-80.5	-17	178.7	-78.1	-47.3	0	0	0	112.8	Q816	D737-Q816 PolarHBondContact OD2-NE2 3.45Å
738	S	61.8	Low	84.5	Confident	55 Å²	55	55.7 Å²	55.7	39%	0.385	30%	0.302	S	S	.	.	S	Bend	trans	-82.7	-46.3	177.9	-2.1	0	0	0	0	111.7	I740 D760	S738-I740 PolarHBondContact O-N 3.23Å; S738-D760 WeakPolarHBondContact CB-OD1 3.15Å; S738-D760 PolarHBondContact OG-OD1 2.71Å
739	Q	62.3	Low	84.5	Confident	142 Å²	142	61.7 Å²	61.7	66%	0.664	33%	0.33	S	S	*	.			trans	47.4	36.8	-174.2	-59	-164.7	-33.1	0	0	113.4	G736 D760	G736-Q739 WeakPolarHBondContact O-CG 2.94Å; Q739-D760 WeakPolarHBondContact CA-OD2 3.34Å; Q739-D760 PolarHBondContact N-OD2 2.79Å
740	I	82.2	Confident	84.4	Confident	84 Å²	84	58.8 Å²	58.8	43%	0.431	31%	0.312	S	S	.	.			trans	-104.1	106.4	172.9	-58.6	177.2	0	0	0	106.1	S738 M757 S759 D760	S738-I740 PolarHBondContact O-N 3.23Å; I740-M757 HydrophobicContact CG2-CB 4.32Å; I740-S759 CarbonylContact O-C 3.56Å; I740-S759 VanDerWaalsContact O-CA 3.27Å; I740-S759 WeakPolarHBondContact O-CA 3.46Å; I740-S759 WeakPolarHBondContact O-CB 3.06Å; I740-D760 PolarHBondContact N-OD2 3.5Å; I740-D760 PolarHBondContact O-N 3.31Å
741	D	85.5	Confident	84.5	Confident	94 Å²	94	61.2 Å²	61.2	50%	0.503	32%	0.324	S	S	.	.			trans	-71.5	151.1	176	-61	-37.4	0	0	0	110.6
742	P	91.2	Very high	84.8	Confident	12 Å²	12	59.5 Å²	59.5	8%	0.078	31%	0.313	C	S	.	.			trans	-59.8	140.1	172.5	-16.8	27	0	0	0	111.2	W744 Q755 S759	P742-W744 HydrophobicContact CB-CD2 4.24Å; P742-W744 HydrophobicContact CB-CH2 4.32Å; P742-W744 HydrophobicContact CB-CZ2 3.54Å; P742-W744 HydrophobicContact CG-CZ2 3.89Å; P742-Q755 HydrophobicContact CB-CG 4.11Å; P742-S759 WeakPolarHBondContact CG-OG 3.03Å
743	N	91.1	Very high	85	Confident	77 Å²	77	59.6 Å²	59.6	41%	0.412	31%	0.314	S	S	.	.			trans	-102.7	114.8	169.1	177.7	-71.8	0	0	0	108.2	Q755 T756 M757	N743-Q755 VanDerWaalsContact O-CA 3.3Å; N743-Q755 WeakPolarHBondContact O-CA 3Å; N743-T756 WeakPolarHBondContact CB-OG1 3.33Å; N743-T756 PolarHBondContact O-N 3.13Å; N743-T756 PolarHBondContact OD1-OG1 2.94Å; N743-M757 HydrophobicContact CB-CB 4.47Å; N743-M757 HydrophobicContact CB-CG 3.68Å
744	W	93.4	Very high	85.3	Confident	21 Å²	21	60.5 Å²	60.5	8%	0.08	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.2	-179	-50.8	107.1	0	0	0	110.3	Y727 P742 I753 Q755 A764 V917 C919 W927	Y727-W744 HydrophobicContact CE2-CB 4.04Å; Y727-W744 AromaticContact CE2-CD1 3.75Å; Y727-W744 HydrophobicContact CE2-CG 4.08Å; P742-W744 HydrophobicContact CB-CD2 4.24Å; P742-W744 HydrophobicContact CB-CH2 4.32Å; P742-W744 HydrophobicContact CB-CZ2 3.54Å; P742-W744 HydrophobicContact CG-CZ2 3.89Å; W744-I753 HydrophobicContact CE3-CG2 3.88Å; W744-Q755 HydrophobicContact CD2-CG 4.31Å; W744-Q755 HydrophobicContact CE3-CB 3.72Å; W744-Q755 HydrophobicContact CE3-CG 3.75Å; W744-Q755 HydrophobicContact CH2-CG 4.13Å; W744-Q755 HydrophobicContact CZ3-CB 3.68Å; W744-Q755 HydrophobicContact CZ3-CG 3.66Å; W744-A764 HydrophobicContact CD2-CB 3.74Å; W744-A764 HydrophobicContact CE3-CB 4.09Å; W744-A764 HydrophobicContact CG-CB 4.1Å; W744-A764 HydrophobicContact CH2-CB 4.4Å; W744-A764 HydrophobicContact CZ2-CB 4.08Å; W744-A764 HydrophobicContact CZ3-CB 4.39Å; W744-V917 HydrophobicContact CE3-CG2 4.17Å; W744-V917 HydrophobicContact CH2-CG2 4.13Å; W744-V917 HydrophobicContact CZ3-CG2 3.64Å; W744-C919 HydrophobicContact CH2-CB 4.14Å; W744-C919 VanDerWaalsContact CH2-SG 3.53Å; W744-W927 HydrophobicContact CE3-CZ3 4.31Å; W744-W927 HydrophobicContact CH2-CH2 4.36Å; W744-W927 AromaticContact CZ3-CH2 3.69Å; W744-W927 HydrophobicContact CZ3-CH2 3.69Å; W744-W927 AromaticContact CZ3-CZ3 3.67Å; W744-W927 HydrophobicContact CZ3-CZ3 3.67Å
745	V	92.5	Very high	85.9	Confident	58 Å²	58	57 Å²	57	35%	0.352	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.6	173.3	-177.6	0	0	0	0	107.6	L747 I753 V754 T756	V745-L747 HydrophobicContact CG1-CD2 4.2Å; V745-L747 HydrophobicContact CG1-CG 4.27Å; V745-I753 CarbonylContact O-C 3.41Å; V745-I753 WeakPolarHBondContact O-CA 3.38Å; V745-V754 HydrophobicContact CB-CB 4.37Å; V745-V754 PolarHBondContact N-O 3.44Å; V745-V754 PolarHBondContact O-N 2.85Å; V745-T756 HydrophobicContact CG2-CG2 4.44Å
746	V	93.3	Very high	86.7	Confident	40 Å²	40	51 Å²	51	24%	0.242	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.4	-179.3	-175.4	0	0	0	0	109.4	R725 Y727 E752	R725-V746 HydrophobicContact CG-CG1 4Å; Y727-V746 HydrophobicContact CD1-CG2 4.07Å; Y727-V746 HydrophobicContact CE1-CG2 3.62Å; V746-E752 CarbonylContact C-O 3.56Å; V746-E752 WeakPolarHBondContact CA-O 2.99Å
747	L	93.3	Very high	88	Confident	57 Å²	57	54.8 Å²	54.8	30%	0.298	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	178.8	-178.6	-60.1	172.7	0	0	0	109.8	V745 Q749 G750 E752 V754	V745-L747 HydrophobicContact CG1-CD2 4.2Å; V745-L747 HydrophobicContact CG1-CG 4.27Å; L747-Q749 PolarHBondContact O-N 3.06Å; L747-G750 PolarHBondContact O-N 3.4Å; L747-E752 HydrophobicContact CB-CB 4.06Å; L747-E752 HydrophobicContact CB-CG 4.23Å; L747-E752 PolarHBondContact N-O 3.1Å; L747-E752 PolarHBondContact O-N 3.14Å; L747-V754 HydrophobicContact CD1-CG2 4.04Å
748	N	94.3	Very high	89.7	Confident	25 Å²	25	50.7 Å²	50.7	13%	0.134	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	47.7	43	177.8	-165.5	12.3	0	0	0	113.2	S491 G492 E494 G750 M751 E752	S491-N748 VanDerWaalsContact CB-ND2 3.34Å; S491-N748 WeakPolarHBondContact CB-ND2 3.3Å; S491-N748 PolarHBondContact O-ND2 3.47Å; S491-N748 PolarHBondContact OG-ND2 3.33Å; G492-N748 VanDerWaalsContact CA-CG 3.46Å; E494-N748 PolarHBondContact OE1-N 2.93Å; N748-G750 PolarHBondContact O-N 2.84Å; N748-M751 HydrophobicContact CB-CB 4.28Å; N748-M751 WeakPolarHBondContact O-CB 3.22Å; N748-M751 WeakPolarHBondContact O-CE 3.03Å; N748-M751 PolarHBondContact O-N 3.2Å; N748-M751 WeakPolarHBondContact OD1-CE 2.85Å; N748-E752 HydrophobicContact CB-CB 3.91Å
749	Q	91.9	Very high	91.1	Very high	143 Å²	143	48.3 Å²	48.3	67%	0.668	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	54	29.3	-180	-53.9	177.3	14.1	0	0	115.1	R725 L747	R725-Q749 PolarHBondContact NE-O 2.77Å; L747-Q749 PolarHBondContact O-N 3.06Å
750	G	92.6	Very high	92.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	104	-0.6	-179.1	0	0	0	0	0	114.6	F724 L747 N748	F724-G750 WeakPolarHBondContact CB-O 3.15Å; F724-G750 WeakPolarHBondContact CD2-O 2.93Å; F724-G750 PolarHBondContact N-O 3.19Å; L747-G750 PolarHBondContact O-N 3.4Å; N748-G750 PolarHBondContact O-N 2.84Å
751	M	96.2	Very high	93	Very high	51 Å²	51	37.7 Å²	37.7	25%	0.251	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	0.7	177.2	-63	-178.4	-69.7	0	0	113.1	T722 N748 N929 L930	T722-M751 HydrophobicContact CG2-CG 4.18Å; T722-M751 WeakPolarHBondContact O-CG 3.18Å; N748-M751 HydrophobicContact CB-CB 4.28Å; N748-M751 WeakPolarHBondContact O-CB 3.22Å; N748-M751 WeakPolarHBondContact O-CE 3.03Å; N748-M751 PolarHBondContact O-N 3.2Å; N748-M751 WeakPolarHBondContact OD1-CE 2.85Å; M751-N929 PolarHBondContact O-N 2.87Å; M751-L930 WeakPolarHBondContact O-CB 3.07Å; M751-L930 PolarHBondContact O-N 2.93Å
752	E	98.1	Very high	93.5	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	135.6	174.2	-178.6	165.2	107.9	0	0	111	N490 S491 V746 L747 N748 I926 W927 S928	N490-E752 WeakPolarHBondContact CA-OE2 3.46Å; S491-E752 PolarHBondContact N-OE2 2.88Å; S491-E752 PolarHBondContact OG-OE2 2.92Å; V746-E752 CarbonylContact C-O 3.56Å; V746-E752 WeakPolarHBondContact CA-O 2.99Å; L747-E752 HydrophobicContact CB-CB 4.06Å; L747-E752 HydrophobicContact CB-CG 4.23Å; L747-E752 PolarHBondContact N-O 3.1Å; L747-E752 PolarHBondContact O-N 3.14Å; N748-E752 HydrophobicContact CB-CB 3.91Å; E752-I926 HydrophobicContact CG-CG2 4.33Å; E752-W927 CarbonylContact C-O 3.54Å; E752-W927 VanDerWaalsContact CA-O 3.3Å; E752-W927 WeakPolarHBondContact CA-O 3Å; E752-S928 WeakPolarHBondContact OE2-CB 3.34Å; E752-S928 PolarHBondContact OE2-OG 3.06Å
753	I	97.9	Very high	93.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.7	177.6	-54.9	174.2	0	0	0	108	F724 W744 V745 V917 W927 L930	F724-I753 HydrophobicContact CB-CD1 3.8Å; F724-I753 HydrophobicContact CB-CG1 4.39Å; F724-I753 HydrophobicContact CD1-CD1 4.37Å; F724-I753 HydrophobicContact CG-CD1 4.07Å; W744-I753 HydrophobicContact CE3-CG2 3.88Å; V745-I753 CarbonylContact O-C 3.41Å; V745-I753 WeakPolarHBondContact O-CA 3.38Å; I753-V917 HydrophobicContact CD1-CG1 4.22Å; I753-V917 HydrophobicContact CD1-CG2 3.92Å; I753-V917 HydrophobicContact CG2-CG2 4.16Å; I753-W927 HydrophobicContact CB-CE3 4.33Å; I753-W927 HydrophobicContact CG2-CE3 4.28Å; I753-W927 PolarHBondContact N-O 2.88Å; I753-W927 PolarHBondContact O-N 3.33Å; I753-L930 HydrophobicContact CD1-CD1 3.84Å; I753-L930 HydrophobicContact CG1-CD1 3.91Å
754	V	97.1	Very high	94.1	Very high	22 Å²	22	29 Å²	29	13%	0.133	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.3	173.6	-175.8	0	0	0	0	109	V745 L747 T756 I925 I926	V745-V754 HydrophobicContact CB-CB 4.37Å; V745-V754 PolarHBondContact N-O 3.44Å; V745-V754 PolarHBondContact O-N 2.85Å; L747-V754 HydrophobicContact CD1-CG2 4.04Å; V754-T756 HydrophobicContact CG1-CG2 4.17Å; V754-I925 CarbonylContact C-O 3.54Å; V754-I925 VanDerWaalsContact CA-O 3.31Å; V754-I925 WeakPolarHBondContact CA-O 3.43Å; V754-I926 HydrophobicContact CG1-CG1 4.3Å; V754-I926 HydrophobicContact CG2-CG1 4.2Å; V754-I926 HydrophobicContact CG2-CG2 4.26Å
755	Q	95.8	Very high	94.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.1	172.3	-166.5	-71.8	-18	0	0	109.3	P742 N743 W744 M757 S759 C919 Q922 N924 I925 W927	P742-Q755 HydrophobicContact CB-CG 4.11Å; N743-Q755 VanDerWaalsContact O-CA 3.3Å; N743-Q755 WeakPolarHBondContact O-CA 3Å; W744-Q755 HydrophobicContact CD2-CG 4.31Å; W744-Q755 HydrophobicContact CE3-CB 3.72Å; W744-Q755 HydrophobicContact CE3-CG 3.75Å; W744-Q755 HydrophobicContact CH2-CG 4.13Å; W744-Q755 HydrophobicContact CZ3-CB 3.68Å; W744-Q755 HydrophobicContact CZ3-CG 3.66Å; Q755-M757 VanDerWaalsContact CD-O 3.26Å; Q755-M757 PolarHBondContact NE2-O 3.45Å; Q755-M757 PolarHBondContact OE1-O 3.22Å; Q755-S759 PolarHBondContact NE2-OG 3.47Å; Q755-C919 HydrophobicContact CG-CB 4.41Å; Q755-Q922 PolarHBondContact OE1-O 3.22Å; Q755-Q922 VanDerWaalsContact OE1-O 3.1Å; Q755-N924 CarbonylContact O-C 3.53Å; Q755-N924 WeakPolarHBondContact O-CA 3.44Å; Q755-N924 PolarHBondContact O-N 3.48Å; Q755-I925 PolarHBondContact N-O 3.48Å; Q755-I925 PolarHBondContact O-N 2.04Å; Q755-W927 HydrophobicContact CB-CH2 3.88Å; Q755-W927 HydrophobicContact CB-CZ3 3.54Å
756	T	91.1	Very high	94.5	Very high	37 Å²	37	25.5 Å²	25.5	23%	0.227	13%	0.134	C	C	.	.			trans	-107.5	-14.3	-166.1	58.9	0	0	0	0	114.6	N743 V745 V754	N743-T756 WeakPolarHBondContact CB-OG1 3.33Å; N743-T756 PolarHBondContact O-N 3.13Å; N743-T756 PolarHBondContact OD1-OG1 2.94Å; V745-T756 HydrophobicContact CG2-CG2 4.44Å; V754-T756 HydrophobicContact CG1-CG2 4.17Å
757	M	90.4	Very high	94.5	Very high	84 Å²	84	28.9 Å²	28.9	41%	0.414	14%	0.143	S	C	.	.	S	Bend	trans	-107.5	144.6	-170.1	-69.3	-65.2	114.4	0	0	112.6	I740 N743 Q755 S759	I740-M757 HydrophobicContact CG2-CB 4.32Å; N743-M757 HydrophobicContact CB-CB 4.47Å; N743-M757 HydrophobicContact CB-CG 3.68Å; Q755-M757 VanDerWaalsContact CD-O 3.26Å; Q755-M757 PolarHBondContact NE2-O 3.45Å; Q755-M757 PolarHBondContact OE1-O 3.22Å; M757-S759 PolarHBondContact O-N 2.85Å
758	N	91.1	Very high	94.5	Very high	59 Å²	59	29.8 Å²	29.8	32%	0.316	15%	0.145	S	C	.	.			trans	-76	93	163	-171.9	-14.7	0	0	0	109	D786 S921 E923	N758-D786 PolarHBondContact ND2-OD2 3.07Å; N758-S921 WeakPolarHBondContact OD1-CA 3.39Å; N758-S921 PolarHBondContact OD1-O 3.07Å; N758-S921 VanDerWaalsContact OD1-O 3.11Å; N758-S921 PolarHBondContact OD1-OG 3.3Å; N758-E923 HydrophobicContact CB-CB 4.28Å
759	S	91.2	Very high	94.6	Very high	5 Å²	5	29.6 Å²	29.6	4%	0.035	15%	0.146	C	C	.	.			trans	-111.6	165.8	-166	63.8	0	0	0	0	114.4	I740 P742 Q755 M757 S921	I740-S759 CarbonylContact O-C 3.56Å; I740-S759 VanDerWaalsContact O-CA 3.27Å; I740-S759 WeakPolarHBondContact O-CA 3.46Å; I740-S759 WeakPolarHBondContact O-CB 3.06Å; P742-S759 WeakPolarHBondContact CG-OG 3.03Å; Q755-S759 PolarHBondContact NE2-OG 3.47Å; M757-S759 PolarHBondContact O-N 2.85Å; S759-S921 VanDerWaalsContact O-CA 3.32Å; S759-S921 WeakPolarHBondContact O-CA 3.5Å; S759-S921 PolarHBondContact O-N 2.9Å
760	D	90.7	Very high	94.8	Very high	4 Å²	4	23 Å²	23	2%	0.021	12%	0.115	C	C	.	.	S	Bend	trans	-56.9	159.4	163	-73.2	-37.6	0	0	0	110.8	S738 Q739 I740 G762	S738-D760 WeakPolarHBondContact CB-OD1 3.15Å; S738-D760 PolarHBondContact OG-OD1 2.71Å; Q739-D760 WeakPolarHBondContact CA-OD2 3.34Å; Q739-D760 PolarHBondContact N-OD2 2.79Å; I740-D760 PolarHBondContact N-OD2 3.5Å; I740-D760 PolarHBondContact O-N 3.31Å; D760-G762 PolarHBondContact O-N 3.1Å
761	P	94.4	Very high	94.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-63	127.1	-178.2	25.5	-31.9	0	0	0	110	L732 D733 R844 F918 C919 F920	L732-P761 HydrophobicContact CB-CB 4.06Å; L732-P761 HydrophobicContact CB-CG 4.05Å; L732-P761 WeakPolarHBondContact CB-O 3.11Å; L732-P761 HydrophobicContact CD1-CB 4.45Å; L732-P761 PolarHBondContact N-O 3.05Å; D733-P761 HydrophobicContact CB-CG 3.97Å; P761-R844 HydrophobicContact CG-CG 4.23Å; P761-F918 HydrophobicContact CB-CE2 4.45Å; P761-C919 WeakPolarHBondContact CA-O 3.47Å; P761-F920 HydrophobicContact CB-CB 4.01Å; P761-F920 HydrophobicContact CB-CD1 3.63Å; P761-F920 HydrophobicContact CB-CD2 3.92Å; P761-F920 HydrophobicContact CB-CE1 4Å; P761-F920 HydrophobicContact CB-CE2 4.21Å; P761-F920 HydrophobicContact CB-CG 3.62Å; P761-F920 HydrophobicContact CB-CZ 4.27Å; P761-F920 HydrophobicContact CG-CD1 3.97Å; P761-F920 HydrophobicContact CG-CE1 3.84Å; P761-F920 HydrophobicContact CG-CE2 4.38Å; P761-F920 HydrophobicContact CG-CG 4.37Å; P761-F920 HydrophobicContact CG-CZ 4.05Å
762	G	95.2	Very high	94.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	162.1	-177.9	0	0	0	0	0	113.3	V730 D760 C919	V730-G762 CarbonylContact O-C 3.47Å; V730-G762 VanDerWaalsContact O-CA 3.23Å; V730-G762 WeakPolarHBondContact O-CA 3.24Å; D760-G762 PolarHBondContact O-N 3.1Å; G762-C919 PolarHBondContact N-O 2.87Å; G762-C919 VanDerWaalsContact N-O 3.08Å; G762-C919 PolarHBondContact O-N 3.22Å; G762-C919 VanDerWaalsContact O-N 3.17Å
763	L	97.9	Very high	94.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143	-177.9	-48.5	171.2	0	0	0	109.6	T729 V730 L732 V765 I793 Y796 F802 V917 F918	T729-L763 WeakPolarHBondContact CA-O 3.21Å; V730-L763 HydrophobicContact CB-CB 4.07Å; V730-L763 HydrophobicContact CB-CD1 4.18Å; V730-L763 HydrophobicContact CB-CG 4.39Å; V730-L763 HydrophobicContact CG1-CD1 4.33Å; V730-L763 PolarHBondContact N-O 2.78Å; V730-L763 PolarHBondContact O-N 2.78Å; L732-L763 HydrophobicContact CD1-CD1 4.15Å; L732-L763 HydrophobicContact CD1-CD2 4.14Å; L732-L763 HydrophobicContact CD1-CG 3.95Å; L732-L763 HydrophobicContact CD2-CD1 4.06Å; L732-L763 HydrophobicContact CD2-CG 4.46Å; L732-L763 HydrophobicContact CG-CD1 4.41Å; L732-L763 HydrophobicContact CG-CG 4.31Å; L763-V765 HydrophobicContact CB-CG2 3.68Å; L763-V765 HydrophobicContact CD1-CG2 4.39Å; L763-I793 HydrophobicContact CB-CD1 4.33Å; L763-I793 HydrophobicContact CD1-CD1 3.95Å; L763-I793 HydrophobicContact CD2-CD1 4.17Å; L763-I793 HydrophobicContact CD2-CG2 3.67Å; L763-I793 HydrophobicContact CG-CD1 4.39Å; L763-Y796 HydrophobicContact CD1-CD2 4.01Å; L763-Y796 HydrophobicContact CD1-CE2 3.7Å; L763-F802 HydrophobicContact CD1-CE1 4.09Å; L763-F802 HydrophobicContact CD1-CE2 4.44Å; L763-F802 HydrophobicContact CD1-CZ 4.04Å; L763-V917 WeakPolarHBondContact CA-O 3.45Å; L763-F918 HydrophobicContact CD2-CB 3.8Å; L763-F918 HydrophobicContact CD2-CD2 3.51Å; L763-F918 HydrophobicContact CD2-CG 4.11Å
764	A	97.6	Very high	94.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.5	157.5	0	0	0	0	0	107.3	Y727 Q728 W744 G916 V917	Y727-A764 HydrophobicContact CD2-CB 3.72Å; Y727-A764 HydrophobicContact CE2-CB 4.22Å; Y727-A764 HydrophobicContact CG-CB 4.34Å; Q728-A764 WeakPolarHBondContact O-CA 3.4Å; W744-A764 HydrophobicContact CD2-CB 3.74Å; W744-A764 HydrophobicContact CE3-CB 4.09Å; W744-A764 HydrophobicContact CG-CB 4.1Å; W744-A764 HydrophobicContact CH2-CB 4.4Å; W744-A764 HydrophobicContact CZ2-CB 4.08Å; W744-A764 HydrophobicContact CZ3-CB 4.39Å; A764-G916 CarbonylContact O-C 3.46Å; A764-G916 WeakPolarHBondContact O-CA 3.44Å; A764-V917 HydrophobicContact CB-CG2 3.85Å; A764-V917 PolarHBondContact N-O 3.13Å; A764-V917 VanDerWaalsContact N-O 3.13Å; A764-V917 PolarHBondContact O-N 3.18Å
765	V	98.1	Very high	94.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.9	-171.7	-167.9	0	0	0	0	109.1	Y727 Q728 V730 L763 I793 Y796 R914 L915	Y727-V765 CarbonylContact C-O 3.59Å; Y727-V765 WeakPolarHBondContact CA-O 3.46Å; Y727-V765 WeakPolarHBondContact CB-O 3.39Å; Q728-V765 PolarHBondContact N-O 2.93Å; Q728-V765 PolarHBondContact O-N 3.28Å; V730-V765 HydrophobicContact CG2-CG2 3.97Å; L763-V765 HydrophobicContact CB-CG2 3.68Å; L763-V765 HydrophobicContact CD1-CG2 4.39Å; V765-I793 HydrophobicContact CG1-CD1 4.3Å; V765-I793 HydrophobicContact CG2-CD1 3.65Å; V765-Y796 HydrophobicContact CG1-CD1 3.87Å; V765-Y796 HydrophobicContact CG1-CE1 4.48Å; V765-Y796 HydrophobicContact CG1-CG 3.93Å; V765-Y796 HydrophobicContact CG2-CD2 4.21Å; V765-Y796 HydrophobicContact CG2-CE2 4.25Å; V765-Y796 HydrophobicContact CG2-CG 4.4Å; V765-R914 HydrophobicContact CG1-CB 3.7Å; V765-L915 CarbonylContact C-O 3.57Å; V765-L915 WeakPolarHBondContact CA-O 3.4Å; V765-L915 WeakPolarHBondContact CG1-O 3.21Å
766	G	95.9	Very high	94.8	Very high	5 Å²	5	23.3 Å²	23.3	5%	0.052	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	151.7	173.1	0	0	0	0	0	110.9	R914 L915	G766-R914 WeakPolarHBondContact O-CD 3.44Å; G766-L915 PolarHBondContact N-O 3.1Å
767	Y	93.4	Very high	95.1	Very high	112 Å²	112	21.5 Å²	21.5	44%	0.439	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-23.7	-178.9	-71.5	-76.9	0	0	0	113.9	L618 A726 Q728 R914	L618-Y767 HydrophobicContact CD1-CD1 4.12Å; L618-Y767 HydrophobicContact CD1-CE1 4.21Å; L618-Y767 HydrophobicContact CD2-CE1 4.47Å; A726-Y767 HydrophobicContact CB-CD2 3.86Å; A726-Y767 HydrophobicContact CB-CE2 4.1Å; A726-Y767 WeakPolarHBondContact O-CD2 3.47Å; Q728-Y767 HydrophobicContact CB-CE1 4.19Å; Y767-R914 WeakPolarHBondContact O-CD 3.44Å
768	K	94.5	Very high	95.5	Very high	76 Å²	76	17.5 Å²	17.5	33%	0.33	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.7	-179.6	-61	-55.4	-167	169.5	0	111.1	E718 V719 F770	E718-K768 WeakPolarHBondContact O-CE 3.1Å; E718-K768 PolarHBondContact O-NZ 2.65Å; E718-K768 IonicContact OE2-NZ 2.7Å; E718-K768 PolarHBondContact OE2-NZ 2.76Å; V719-K768 HydrophobicContact CG2-CB 4.29Å; V719-K768 HydrophobicContact CG2-CD 3.86Å; V719-K768 HydrophobicContact CG2-CG 4.06Å; K768-F770 HydrophobicContact CB-CE2 4.11Å; K768-F770 HydrophobicContact CB-CZ 4.09Å; K768-F770 VanDerWaalsContact O-CE2 3.31Å; K768-F770 WeakPolarHBondContact O-CE2 3.02Å
769	A	95.1	Very high	95.8	Very high	20 Å²	20	15.2 Å²	15.2	17%	0.165	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	152.6	178.7	0	0	0	0	0	110.8	S647 R914	S647-A769 WeakPolarHBondContact O-CB 3.46Å; A769-R914 HydrophobicContact CB-CG 3.86Å
770	F	96.1	Very high	96.1	Very high	6 Å²	6	15 Å²	15	3%	0.026	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.5	-172.3	-57	-93.7	0	0	0	111.3	V719 K768 V773 G912 G913 L915 Y932	V719-F770 HydrophobicContact CG1-CE1 4.25Å; V719-F770 HydrophobicContact CG1-CZ 4.44Å; K768-F770 HydrophobicContact CB-CE2 4.11Å; K768-F770 HydrophobicContact CB-CZ 4.09Å; K768-F770 VanDerWaalsContact O-CE2 3.31Å; K768-F770 WeakPolarHBondContact O-CE2 3.02Å; F770-V773 HydrophobicContact CB-CB 3.88Å; F770-V773 HydrophobicContact CB-CG1 4.32Å; F770-V773 HydrophobicContact CB-CG2 4.32Å; F770-V773 HydrophobicContact CD1-CB 4.36Å; F770-V773 HydrophobicContact CD1-CG2 3.99Å; F770-V773 HydrophobicContact CD2-CG2 4.49Å; F770-V773 HydrophobicContact CE1-CG2 4.45Å; F770-V773 HydrophobicContact CG-CB 4.14Å; F770-V773 HydrophobicContact CG-CG2 4.01Å; F770-G912 VanDerWaalsContact O-CA 3.24Å; F770-G912 WeakPolarHBondContact O-CA 3.49Å; F770-G913 PolarHBondContact N-O 3.35Å; F770-G913 PolarHBondContact O-N 2.78Å; F770-L915 HydrophobicContact CD2-CD1 4.07Å; F770-L915 HydrophobicContact CD2-CG 3.9Å; F770-L915 HydrophobicContact CE2-CD1 3.77Å; F770-L915 HydrophobicContact CE2-CG 3.89Å; F770-L915 HydrophobicContact CZ-CD1 4.34Å; F770-Y932 AromaticContact CE1-CD2 3.8Å; F770-Y932 HydrophobicContact CE1-CD2 3.8Å; F770-Y932 HydrophobicContact CE1-CE2 4.12Å; F770-Y932 HydrophobicContact CE1-CG 4.37Å; F770-Y932 HydrophobicContact CZ-CD1 4.25Å; F770-Y932 AromaticContact CZ-CD2 3.56Å; F770-Y932 HydrophobicContact CZ-CD2 3.56Å; F770-Y932 HydrophobicContact CZ-CE1 4.31Å; F770-Y932 AromaticContact CZ-CE2 3.69Å; F770-Y932 HydrophobicContact CZ-CE2 3.69Å; F770-Y932 AromaticContact CZ-CG 3.88Å; F770-Y932 HydrophobicContact CZ-CG 3.88Å
771	S	91.7	Very high	96.5	Very high	14 Å²	14	14.9 Å²	14.9	10%	0.098	7%	0.072	C	C	.	.	S	Bend	trans	-83	-31	171.6	-55.8	0	0	0	0	112.4	S647 S648 P883	S647-S771 PolarHBondContact N-OG 2.61Å; S648-S771 PolarHBondContact OG-OG 3.44Å; S771-P883 WeakPolarHBondContact O-CB 3.43Å; S771-P883 WeakPolarHBondContact O-CD 3.38Å; S771-P883 WeakPolarHBondContact O-CG 3.01Å
772	G	95.1	Very high	96.6	Very high	3 Å²	3	16.9 Å²	16.9	3%	0.031	8%	0.083	C	C	.	.	S	Bend	trans	-152.8	132.8	172.4	0	0	0	0	0	110.6	N935 D936	G772-N935 CarbonylContact C-O 3.55Å; G772-N935 PolarHBondContact O-N 2.76Å; G772-D936 WeakPolarHBondContact CA-OD1 3.33Å; G772-D936 PolarHBondContact N-OD1 3.24Å
773	V	97.6	Very high	96.5	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.018	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	140.5	-166.5	69	0	0	0	0	113.5	F770 H881 R882 L915 R933	F770-V773 HydrophobicContact CB-CB 3.88Å; F770-V773 HydrophobicContact CB-CG1 4.32Å; F770-V773 HydrophobicContact CB-CG2 4.32Å; F770-V773 HydrophobicContact CD1-CB 4.36Å; F770-V773 HydrophobicContact CD1-CG2 3.99Å; F770-V773 HydrophobicContact CD2-CG2 4.49Å; F770-V773 HydrophobicContact CE1-CG2 4.45Å; F770-V773 HydrophobicContact CG-CB 4.14Å; F770-V773 HydrophobicContact CG-CG2 4.01Å; V773-H881 HydrophobicContact CG1-CB 4.12Å; V773-H881 PolarHBondContact N-O 2.01Å; V773-H881 PolarHBondContact O-N 3.48Å; V773-R882 PolarHBondContact O-NH1 2.84Å; V773-R882 VanDerWaalsContact O-NH1 3.07Å; V773-L915 HydrophobicContact CG1-CD2 4.21Å; V773-L915 HydrophobicContact CG2-CD1 3.96Å; V773-R933 WeakPolarHBondContact CA-O 3.31Å
774	D	97.8	Very high	96.3	Very high	20 Å²	20	22.5 Å²	22.5	11%	0.107	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124	160.1	-66.9	-20.3	0	0	0	108.2	F878 L879 Q880 R882 Y932 R933 N935	D774-F878 HydrophobicContact CB-CZ 4.33Å; D774-L879 CarbonylContact C-O 3.59Å; D774-L879 VanDerWaalsContact CA-O 3.26Å; D774-L879 WeakPolarHBondContact CA-O 3.23Å; D774-Q880 WeakPolarHBondContact OD1-CG 3.16Å; D774-R882 IonicContact OD1-CZ 3.85Å; D774-R882 VanDerWaalsContact OD1-CZ 3.26Å; D774-R882 IonicContact OD1-NH1 2.72Å; D774-R882 PolarHBondContact OD1-NH1 2.01Å; D774-R882 IonicContact OD1-NH2 3.21Å; D774-R882 PolarHBondContact OD1-NH2 3.23Å; D774-R882 IonicContact OD2-NH2 3.96Å; D774-R882 PolarHBondContact OD2-NH2 2.03Å; D774-Y932 CarbonylContact O-C 3.52Å; D774-Y932 VanDerWaalsContact O-CA 3.24Å; D774-Y932 WeakPolarHBondContact O-CA 3.46Å; D774-R933 PolarHBondContact N-O 2.78Å; D774-R933 PolarHBondContact O-N 2.91Å; D774-N935 PolarHBondContact OD2-ND2 3.48Å
775	F	98.4	Very high	96	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.8	-177.2	177.8	-135.5	0	0	0	111.1	F724 F792 W877 L879 L915 L930 K931	F724-F775 HydrophobicContact CE2-CE2 4.25Å; F724-F775 HydrophobicContact CZ-CE2 4.19Å; F724-F775 HydrophobicContact CZ-CZ 4.27Å; F775-F792 HydrophobicContact CD1-CD2 4.02Å; F775-F792 HydrophobicContact CD1-CE2 4.44Å; F775-F792 HydrophobicContact CE1-CB 4.06Å; F775-F792 AromaticContact CE1-CD2 3.95Å; F775-F792 HydrophobicContact CE1-CD2 3.95Å; F775-F792 HydrophobicContact CE1-CG 4.16Å; F775-W877 AromaticContact CD1-NE1 3.97Å; F775-W877 HydrophobicContact CE1-CZ2 4.21Å; F775-W877 AromaticContact CE1-NE1 3.99Å; F775-W877 AromaticContact CZ-CZ2 3.99Å; F775-W877 HydrophobicContact CZ-CZ2 3.99Å; F775-L879 HydrophobicContact CB-CB 4.33Å; F775-L879 HydrophobicContact CB-CD2 4.24Å; F775-L879 PolarHBondContact N-O 2.04Å; F775-L879 WeakPolarHBondContact O-CA 2.98Å; F775-L879 VanDerWaalsContact O-CB 3.28Å; F775-L879 WeakPolarHBondContact O-CB 2.99Å; F775-L879 PolarHBondContact O-N 2.92Å; F775-L915 HydrophobicContact CB-CD1 4.04Å; F775-L915 HydrophobicContact CB-CD2 4.4Å; F775-L915 HydrophobicContact CD1-CD1 4.34Å; F775-L915 HydrophobicContact CD1-CD2 4.19Å; F775-L915 HydrophobicContact CD2-CD1 3.94Å; F775-L915 HydrophobicContact CE2-CD1 4.49Å; F775-L915 HydrophobicContact CG-CD1 3.86Å; F775-L915 HydrophobicContact CG-CD2 4.37Å; F775-L930 HydrophobicContact CE2-CD2 4.09Å; F775-L930 HydrophobicContact CZ-CD2 4.01Å; F775-K931 WeakPolarHBondContact CD2-O 3.44Å
776	E	97.6	Very high	95.7	Very high	41 Å²	41	27.9 Å²	27.9	19%	0.192	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	159.2	-177.1	62.2	169.6	150.4	0	0	111.9	R876 W877 F878 K931	E776-R876 IonicContact OE1-NH2 2.8Å; E776-R876 IonicContact OE2-CZ 2.67Å; E776-R876 IonicContact OE2-NE 2.76Å; E776-R876 PolarHBondContact OE2-NE 2.82Å; E776-R876 IonicContact OE2-NH2 3.71Å; E776-R876 PolarHBondContact OE2-NH2 3.47Å; E776-W877 VanDerWaalsContact CA-O 3.28Å; E776-W877 WeakPolarHBondContact CA-O 3.41Å; E776-W877 WeakPolarHBondContact CB-O 3.3Å; E776-F878 HydrophobicContact CB-CD2 3.83Å; E776-F878 HydrophobicContact CG-CD2 4.36Å; E776-K931 HydrophobicContact CG-CB 3.86Å; E776-K931 PolarHBondContact N-O 2.75Å; E776-K931 PolarHBondContact O-N 3.03Å
777	G	97.9	Very high	95.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	168.8	-177.6	0	0	0	0	0	111.5	R876 W877	G777-R876 VanDerWaalsContact C-NH1 3.32Å; G777-R876 VanDerWaalsContact CA-NH1 3.35Å; G777-R876 WeakPolarHBondContact O-CA 3.37Å; G777-R876 WeakPolarHBondContact O-CD 3.27Å; G777-W877 VanDerWaalsContact C-CZ3 3.46Å; G777-W877 VanDerWaalsContact CA-CZ2 3.46Å; G777-W877 PolarHBondContact N-O 2.84Å; G777-W877 PolarHBondContact O-N 3.02Å
778	T	98.3	Very high	95.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.5	-179.4	-65.2	0	0	0	0	109.7	D464 I465 P489 Y875 R876 W927 S928	D464-T778 VanDerWaalsContact O-CG2 3.25Å; D464-T778 WeakPolarHBondContact O-CG2 3.43Å; I465-T778 HydrophobicContact CB-CG2 4.02Å; I465-T778 WeakPolarHBondContact O-CB 3.36Å; I465-T778 PolarHBondContact O-OG1 2.97Å; P489-T778 HydrophobicContact CB-CG2 4.48Å; P489-T778 HydrophobicContact CG-CG2 4.25Å; T778-Y875 CarbonylContact C-O 3.59Å; T778-Y875 WeakPolarHBondContact CA-O 3.21Å; T778-R876 WeakPolarHBondContact OG1-CD 3.06Å; T778-R876 PolarHBondContact OG1-NH1 2.95Å; T778-W927 CarbonylContact O-C 3.56Å; T778-W927 VanDerWaalsContact O-CA 3.27Å; T778-W927 WeakPolarHBondContact O-CA 3.49Å; T778-S928 WeakPolarHBondContact CB-O 3.13Å; T778-S928 PolarHBondContact N-O 2.9Å; T778-S928 PolarHBondContact O-N 2.65Å
779	F	97.6	Very high	95.8	Very high	11 Å²	11	20.7 Å²	20.7	5%	0.048	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.2	177.6	169.8	-109.6	0	0	0	109.9	V781 A790 W807 W869 S874 Y875 W877 I925	F779-V781 HydrophobicContact CE1-CG2 4.3Å; F779-V781 HydrophobicContact CE2-CG2 3.85Å; F779-V781 HydrophobicContact CZ-CG2 3.49Å; F779-V781 VanDerWaalsContact CZ-CG2 3.49Å; F779-A790 HydrophobicContact CD2-CB 4.46Å; F779-A790 HydrophobicContact CE2-CB 3.43Å; F779-A790 VanDerWaalsContact CE2-CB 3.43Å; F779-A790 HydrophobicContact CZ-CB 3.93Å; F779-W807 AromaticContact CD1-CE3 3.9Å; F779-W807 HydrophobicContact CD1-CE3 3.9Å; F779-W807 HydrophobicContact CD1-CZ3 4.07Å; F779-W807 AromaticContact CE1-CE3 3.83Å; F779-W807 HydrophobicContact CE1-CE3 3.83Å; F779-W807 HydrophobicContact CE1-CZ3 4.26Å; F779-W869 HydrophobicContact CE1-CB 3.74Å; F779-W869 AromaticContact CE1-CG 3.86Å; F779-W869 HydrophobicContact CE1-CG 3.86Å; F779-W869 HydrophobicContact CZ-CB 4.46Å; F779-W869 AromaticContact CZ-CD1 4Å; F779-W869 HydrophobicContact CZ-CD2 4.47Å; F779-W869 HydrophobicContact CZ-CG 4.09Å; F779-S874 WeakPolarHBondContact O-CA 3.4Å; F779-Y875 AromaticContact CD1-CD2 3.84Å; F779-Y875 HydrophobicContact CD1-CD2 3.84Å; F779-Y875 HydrophobicContact CD1-CG 4.45Å; F779-Y875 HydrophobicContact CE1-CD2 4.3Å; F779-Y875 PolarHBondContact N-O 2.9Å; F779-Y875 PolarHBondContact O-N 2.03Å; F779-W877 HydrophobicContact CB-CE3 3.8Å; F779-W877 HydrophobicContact CB-CZ3 3.69Å; F779-I925 HydrophobicContact CD2-CG2 4.18Å; F779-I925 HydrophobicContact CE2-CG2 3.82Å
780	H	98	Very high	95.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.6	176.7	-176.2	108.7	0	0	0	110.4	F487 P489 N782 K872 S874 I926	F487-H780 PolarHBondContact O-CE1 2.82Å; P489-H780 WeakPolarHBondContact CD-ND1 3.13Å; P489-H780 HydrophobicContact CG-CB 3.63Å; H780-N782 PolarHBondContact CD2-N 2.95Å; H780-K872 VanDerWaalsContact CE1-C 3.48Å; H780-S874 PolarHBondContact ND1-OG 2.93Å; H780-I926 HydrophobicContact CB-CB 4.36Å; H780-I926 PolarHBondContact N-O 2.04Å; H780-I926 PolarHBondContact O-N 3.45Å
781	V	97.9	Very high	96	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	106.8	172.6	-179.8	0	0	0	0	107.7	F779 T783 W869 K872 Q922	F779-V781 HydrophobicContact CE1-CG2 4.3Å; F779-V781 HydrophobicContact CE2-CG2 3.85Å; F779-V781 HydrophobicContact CZ-CG2 3.49Å; F779-V781 VanDerWaalsContact CZ-CG2 3.49Å; V781-T783 HydrophobicContact CG1-CG2 3.84Å; V781-T783 PolarHBondContact O-N 2.86Å; V781-W869 HydrophobicContact CB-CE3 4.25Å; V781-W869 HydrophobicContact CB-CH2 4.41Å; V781-W869 HydrophobicContact CB-CZ3 4Å; V781-W869 HydrophobicContact CG1-CH2 4.03Å; V781-W869 HydrophobicContact CG1-CZ3 3.97Å; V781-W869 HydrophobicContact CG2-CD2 4.28Å; V781-W869 HydrophobicContact CG2-CE3 4.12Å; V781-W869 HydrophobicContact CG2-CH2 4.31Å; V781-W869 HydrophobicContact CG2-CZ2 4.42Å; V781-W869 HydrophobicContact CG2-CZ3 4.14Å; V781-K872 WeakPolarHBondContact O-CA 3.45Å; V781-K872 PolarHBondContact O-N 3.47Å; V781-Q922 HydrophobicContact CG1-CG 4.47Å
782	N	96.4	Very high	96.3	Very high	41 Å²	41	19.2 Å²	19.2	22%	0.219	11%	0.11	C	C	.	.			trans	-84.1	31.5	-171.6	-168	13.5	0	0	0	112.8	V488 H780 K872 N924 I926	V488-N782 WeakPolarHBondContact CG1-ND2 3.01Å; H780-N782 PolarHBondContact CD2-N 2.95Å; N782-K872 PolarHBondContact O-NZ 2.82Å; N782-K872 PolarHBondContact OD1-NZ 3.02Å; N782-N924 PolarHBondContact N-O 3.09Å; N782-I926 HydrophobicContact CB-CD1 3.87Å; N782-I926 HydrophobicContact CB-CG1 4.5Å
783	T	93.8	Very high	96.5	Very high	17 Å²	17	19 Å²	19	10%	0.104	11%	0.108	C	C	.	.			trans	-142.3	164.3	176.5	-171.7	0	0	0	0	111	V781 T785 E923 N924	V781-T783 HydrophobicContact CG1-CG2 3.84Å; V781-T783 PolarHBondContact O-N 2.86Å; T783-T785 VanDerWaalsContact CG2-O 3.31Å; T783-T785 WeakPolarHBondContact CG2-O 3.33Å; T783-T785 WeakPolarHBondContact CG2-OG1 2.98Å; T783-T785 PolarHBondContact OG1-N 3.34Å; T783-T785 PolarHBondContact OG1-OG1 3.29Å; T783-E923 HydrophobicContact CG2-CG 4.29Å; T783-N924 HydrophobicContact CG2-CB 4.01Å
784	V	93.3	Very high	96.6	Very high	102 Å²	102	18.9 Å²	18.9	62%	0.618	11%	0.107	S	C	*	.	S	Bend	trans	-105.3	4	169.1	-60.3	0	0	0	0	111.2	D871	V784-D871 HydrophobicContact CG1-CB 3.95Å
785	T	91.4	Very high	96.6	Very high	60 Å²	60	18 Å²	18	37%	0.368	10%	0.103	S	C	.	.	S	Bend	trans	-92.8	144.8	177.2	55.3	0	0	0	0	110.1	T783 Q922 E923	T783-T785 VanDerWaalsContact CG2-O 3.31Å; T783-T785 WeakPolarHBondContact CG2-O 3.33Å; T783-T785 WeakPolarHBondContact CG2-OG1 2.98Å; T783-T785 PolarHBondContact OG1-N 3.34Å; T783-T785 PolarHBondContact OG1-OG1 3.29Å; T785-Q922 PolarHBondContact O-NE2 3.36Å; T785-E923 WeakPolarHBondContact CB-OE1 3.28Å; T785-E923 PolarHBondContact OG1-OE1 2.87Å
786	D	91.3	Very high	96.6	Very high	52 Å²	52	18.1 Å²	18.1	28%	0.278	10%	0.103	S	C	.	.			trans	63.5	170.8	-175.8	-129	-37.1	0	0	0	115.1	N758	N758-D786 PolarHBondContact ND2-OD2 3.07Å
787	D	92.9	Very high	96.5	Very high	40 Å²	40	16.8 Å²	16.8	21%	0.214	10%	0.097	C	C	.	.			trans	-148	24.9	-177.1	66.6	23	0	0	0	113.7	K808 Q809 T810 Q812	D787-K808 WeakPolarHBondContact O-CG 3.01Å; D787-K808 PolarHBondContact O-NZ 3.1Å; D787-K808 IonicContact OD1-NZ 3.67Å; D787-K808 PolarHBondContact OD1-NZ 3.48Å; D787-Q809 HydrophobicContact CB-CB 3.96Å; D787-Q809 HydrophobicContact CB-CG 4.25Å; D787-Q809 PolarHBondContact O-N 2.87Å; D787-T810 HydrophobicContact CB-CG2 3.94Å; D787-T810 PolarHBondContact OD1-OG1 3.49Å; D787-T810 WeakPolarHBondContact OD2-CG2 3.09Å; D787-T810 PolarHBondContact OD2-OG1 3.33Å; D787-Q812 PolarHBondContact OD1-OE1 2.83Å
788	D	95.8	Very high	96.4	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.011	10%	0.101	C	C	.	.			trans	-92.5	-162.6	-163.9	-85.6	-24.7	0	0	0	113.4	K808 Q812 W848 W869 S921 Q922	D788-K808 IonicContact OD1-NZ 3.15Å; D788-K808 PolarHBondContact OD1-NZ 2.9Å; D788-Q812 PolarHBondContact OD1-OE1 3.09Å; D788-Q812 VanDerWaalsContact OD1-OE1 3.12Å; D788-W848 WeakPolarHBondContact OD1-CH2 3.46Å; D788-W869 WeakPolarHBondContact O-CZ2 3.49Å; D788-W869 PolarHBondContact O-NE1 2.85Å; D788-S921 WeakPolarHBondContact CB-O 3.37Å; D788-S921 WeakPolarHBondContact OD2-CB 3.46Å; D788-S921 PolarHBondContact OD2-OG 2.99Å; D788-Q922 HydrophobicContact CB-CB 4.03Å
789	Y	97.6	Very high	96.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.5	-167.1	-83.5	-70.9	0	0	0	112.4	M806 K808 A824 Q829 W848 F920	Y789-M806 HydrophobicContact CD1-CB 3.86Å; Y789-M806 HydrophobicContact CD1-CG 4.04Å; Y789-M806 HydrophobicContact CD1-SD 4.06Å; Y789-M806 HydrophobicContact CE1-CB 4.26Å; Y789-M806 HydrophobicContact CE1-CG 3.92Å; Y789-M806 HydrophobicContact CE1-SD 3.79Å; Y789-K808 HydrophobicContact CD1-CB 3.69Å; Y789-K808 HydrophobicContact CD2-CB 4.48Å; Y789-K808 HydrophobicContact CD2-CD 4.21Å; Y789-K808 HydrophobicContact CE1-CB 3.58Å; Y789-K808 HydrophobicContact CE2-CB 4.4Å; Y789-K808 HydrophobicContact CE2-CD 3.96Å; Y789-K808 HydrophobicContact CG-CB 4.16Å; Y789-A824 HydrophobicContact CE2-CB 3.66Å; Y789-A824 VanDerWaalsContact OH-CB 3.25Å; Y789-A824 WeakPolarHBondContact OH-CB 3.41Å; Y789-Q829 PolarHBondContact OH-NE2 2.96Å; Y789-W848 HydrophobicContact CD2-CD2 4.43Å; Y789-W848 HydrophobicContact CD2-CE3 4.17Å; Y789-W848 HydrophobicContact CE2-CD2 4.18Å; Y789-W848 HydrophobicContact CE2-CE3 4.37Å; Y789-W848 HydrophobicContact CE2-CG 4.31Å; Y789-W848 PolarHBondContact OH-O 2.87Å; Y789-F920 PolarHBondContact N-O 2.78Å; Y789-F920 PolarHBondContact O-N 3.44Å
790	A	97.8	Very high	96.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	161.4	165.8	0	0	0	0	0	110	F779 M806 W807 F918 I925 W927	F779-A790 HydrophobicContact CD2-CB 4.46Å; F779-A790 HydrophobicContact CE2-CB 3.43Å; F779-A790 VanDerWaalsContact CE2-CB 3.43Å; F779-A790 HydrophobicContact CZ-CB 3.93Å; A790-M806 WeakPolarHBondContact O-CA 3.46Å; A790-W807 PolarHBondContact N-O 2.98Å; A790-W807 PolarHBondContact O-N 2.75Å; A790-F918 CarbonylContact C-O 3.5Å; A790-F918 WeakPolarHBondContact CA-O 3.31Å; A790-I925 HydrophobicContact CB-CD1 3.61Å; A790-I925 HydrophobicContact CB-CG1 4.08Å; A790-I925 HydrophobicContact CB-CG2 4.03Å; A790-W927 HydrophobicContact CB-CZ2 4.43Å
791	G	97.9	Very high	96.3	Very high	7 Å²	7	17.9 Å²	17.9	7%	0.072	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.9	-149.1	176.2	0	0	0	0	0	112.6	V805 F918 W927	G791-V805 CarbonylContact C-O 3.48Å; G791-V805 VanDerWaalsContact CA-O 3.26Å; G791-V805 WeakPolarHBondContact CA-O 3.24Å; G791-F918 PolarHBondContact N-O 3.35Å; G791-F918 PolarHBondContact O-N 3.32Å; G791-W927 PolarHBondContact O-NE1 3.13Å
792	F	98.7	Very high	96.3	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	161.8	-176.6	63.8	-93.4	0	0	0	111	F775 F794 V805 W877 L879 F892 G916	F775-F792 HydrophobicContact CD1-CD2 4.02Å; F775-F792 HydrophobicContact CD1-CE2 4.44Å; F775-F792 HydrophobicContact CE1-CB 4.06Å; F775-F792 AromaticContact CE1-CD2 3.95Å; F775-F792 HydrophobicContact CE1-CD2 3.95Å; F775-F792 HydrophobicContact CE1-CG 4.16Å; F792-F794 HydrophobicContact CE2-CD1 4.24Å; F792-V805 HydrophobicContact CD1-CB 4.17Å; F792-V805 HydrophobicContact CD1-CG1 4.31Å; F792-V805 HydrophobicContact CD2-CB 4.32Å; F792-V805 HydrophobicContact CD2-CG2 4.48Å; F792-V805 HydrophobicContact CE1-CB 3.78Å; F792-V805 HydrophobicContact CE1-CG1 3.7Å; F792-V805 HydrophobicContact CE1-CG2 4.21Å; F792-V805 HydrophobicContact CE2-CB 3.92Å; F792-V805 HydrophobicContact CE2-CG2 3.71Å; F792-V805 HydrophobicContact CG-CB 4.43Å; F792-V805 HydrophobicContact CZ-CB 3.65Å; F792-V805 HydrophobicContact CZ-CG1 3.9Å; F792-V805 HydrophobicContact CZ-CG2 3.57Å; F792-V805 PolarHBondContact N-O 3.09Å; F792-V805 PolarHBondContact O-N 2.97Å; F792-W877 HydrophobicContact CB-CZ2 4.47Å; F792-W877 AromaticContact CD1-CD1 3.94Å; F792-W877 AromaticContact CD1-CD2 3.66Å; F792-W877 HydrophobicContact CD1-CD2 3.66Å; F792-W877 AromaticContact CD1-CE2 3.63Å; F792-W877 HydrophobicContact CD1-CE3 4.2Å; F792-W877 AromaticContact CD1-CG 3.88Å; F792-W877 HydrophobicContact CD1-CG 3.88Å; F792-W877 HydrophobicContact CD1-CZ2 4.19Å; F792-W877 AromaticContact CD1-NE1 3.78Å; F792-W877 HydrophobicContact CE1-CB 3.8Å; F792-W877 AromaticContact CE1-CD1 3.38Å; F792-W877 AromaticContact CE1-CD2 3.62Å; F792-W877 HydrophobicContact CE1-CD2 3.62Å; F792-W877 AromaticContact CE1-CE2 3.89Å; F792-W877 HydrophobicContact CE1-CE3 4.39Å; F792-W877 AromaticContact CE1-CG 3.31Å; F792-W877 HydrophobicContact CE1-CG 3.31Å; F792-W877 AromaticContact CE1-NE1 3.72Å; F792-W877 HydrophobicContact CG-CZ2 4.43Å; F792-W877 HydrophobicContact CZ-CB 4.34Å; F792-W877 AromaticContact CZ-CD1 3.53Å; F792-W877 AromaticContact CZ-CG 3.89Å; F792-W877 HydrophobicContact CZ-CG 3.89Å; F792-W877 AromaticContact CZ-NE1 3.96Å; F792-L879 HydrophobicContact CE2-CB 4.17Å; F792-L879 HydrophobicContact CE2-CD2 4.07Å; F792-L879 HydrophobicContact CE2-CG 4.48Å; F792-L879 HydrophobicContact CZ-CB 4.38Å; F792-F892 HydrophobicContact CE1-CE1 4.18Å; F792-F892 HydrophobicContact CE1-CZ 4.34Å; F792-G916 WeakPolarHBondContact CA-O 3.27Å; F792-G916 WeakPolarHBondContact CB-O 3.15Å
793	I	98.7	Very high	96.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	159	178	66.3	169.5	0	0	0	111	L763 V765 Y796 F802 Y803 V804 G916 F918	L763-I793 HydrophobicContact CB-CD1 4.33Å; L763-I793 HydrophobicContact CD1-CD1 3.95Å; L763-I793 HydrophobicContact CD2-CD1 4.17Å; L763-I793 HydrophobicContact CD2-CG2 3.67Å; L763-I793 HydrophobicContact CG-CD1 4.39Å; V765-I793 HydrophobicContact CG1-CD1 4.3Å; V765-I793 HydrophobicContact CG2-CD1 3.65Å; I793-Y796 HydrophobicContact CD1-CD2 3.69Å; I793-Y796 HydrophobicContact CD1-CG 4.08Å; I793-F802 HydrophobicContact CB-CD2 4.37Å; I793-F802 HydrophobicContact CG2-CD2 3.88Å; I793-F802 HydrophobicContact CG2-CE2 4.1Å; I793-Y803 WeakPolarHBondContact CA-O 3.31Å; I793-Y803 VanDerWaalsContact CB-O 3.32Å; I793-Y803 WeakPolarHBondContact CB-O 2.99Å; I793-V804 HydrophobicContact CG2-CB 4.02Å; I793-V804 HydrophobicContact CG2-CG2 3.99Å; I793-G916 PolarHBondContact N-O 3.24Å; I793-G916 PolarHBondContact O-N 2.76Å; I793-F918 HydrophobicContact CG2-CB 4.1Å
794	F	98.6	Very high	96.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	158.9	172	64.2	-84.3	0	0	0	110	F792 Y796 Y803 V805 L830 L879 H881 I888 R914 L915	F792-F794 HydrophobicContact CE2-CD1 4.24Å; F794-Y796 PolarHBondContact O-N 2.03Å; F794-Y803 AromaticContact CD2-CD2 3.79Å; F794-Y803 HydrophobicContact CD2-CD2 3.79Å; F794-Y803 HydrophobicContact CD2-CG 4.12Å; F794-Y803 VanDerWaalsContact CE1-CB 3.43Å; F794-Y803 HydrophobicContact CE1-CG 4.3Å; F794-Y803 VanDerWaalsContact CE2-CB 3.48Å; F794-Y803 HydrophobicContact CE2-CD1 4.4Å; F794-Y803 AromaticContact CE2-CD2 3.42Å; F794-Y803 HydrophobicContact CE2-CD2 3.42Å; F794-Y803 VanDerWaalsContact CE2-CD2 3.42Å; F794-Y803 HydrophobicContact CE2-CE2 4.25Å; F794-Y803 AromaticContact CE2-CG 3.52Å; F794-Y803 HydrophobicContact CE2-CG 3.52Å; F794-Y803 HydrophobicContact CZ-CD1 4.28Å; F794-Y803 HydrophobicContact CZ-CD2 4.05Å; F794-Y803 AromaticContact CZ-CG 3.64Å; F794-Y803 HydrophobicContact CZ-CG 3.64Å; F794-Y803 PolarHBondContact N-O 2.82Å; F794-Y803 VanDerWaalsContact N-O 3.08Å; F794-Y803 WeakPolarHBondContact O-CB 3.49Å; F794-Y803 PolarHBondContact O-N 3.42Å; F794-V805 HydrophobicContact CE1-CG2 4.2Å; F794-L830 HydrophobicContact CE1-CD1 3.74Å; F794-L830 HydrophobicContact CZ-CD1 3.84Å; F794-L879 HydrophobicContact CB-CD2 3.6Å; F794-L879 HydrophobicContact CD1-CD1 4.15Å; F794-L879 HydrophobicContact CD1-CD2 3.47Å; F794-L879 VanDerWaalsContact CD1-CD2 3.47Å; F794-L879 HydrophobicContact CD1-CG 4.46Å; F794-L879 HydrophobicContact CD2-CD2 3.88Å; F794-L879 HydrophobicContact CE1-CD1 3.84Å; F794-L879 HydrophobicContact CE1-CD2 4.04Å; F794-L879 HydrophobicContact CE2-CD1 4.37Å; F794-L879 HydrophobicContact CE2-CD2 4.4Å; F794-L879 HydrophobicContact CG-CD2 3.37Å; F794-L879 HydrophobicContact CZ-CD1 3.95Å; F794-L879 HydrophobicContact CZ-CD2 4.46Å; F794-H881 HydrophobicContact CD2-CB 4.24Å; F794-H881 AromaticContact CD2-CE1 3.92Å; F794-H881 AromaticContact CD2-CG 3.83Å; F794-H881 AromaticContact CD2-ND1 3.61Å; F794-H881 HydrophobicContact CE2-CB 4.4Å; F794-H881 AromaticContact CE2-CD2 3.94Å; F794-H881 AromaticContact CE2-CG 3.9Å; F794-I888 HydrophobicContact CE2-CD1 4.11Å; F794-I888 HydrophobicContact CE2-CG1 4.16Å; F794-I888 HydrophobicContact CE2-CG2 4.24Å; F794-I888 HydrophobicContact CZ-CD1 4.22Å; F794-I888 HydrophobicContact CZ-CG1 4.41Å; F794-I888 HydrophobicContact CZ-CG2 3.77Å; F794-R914 CarbonylContact C-O 3.39Å; F794-L915 HydrophobicContact CB-CD2 3.58Å
795	G	97.8	Very high	96.9	Very high	2 Å²	2	10.4 Å²	10.4	2%	0.021	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.1	39.5	-174.5	0	0	0	0	0	112	G912 R914	G795-G912 CarbonylContact C-O 3.34Å; G795-G912 WeakPolarHBondContact CA-O 3.45Å; G795-R914 PolarHBondContact N-O 3.02Å; G795-R914 VanDerWaalsContact N-O 3.11Å
796	Y	98.5	Very high	97.2	Very high	1 Å²	1	7.6 Å²	7.6	0%	0.004	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	122.5	173.3	179.8	-77.4	0	0	0	109.1	D616 V730 L763 V765 I793 F794 D798 S799 F802 G913 R914	D616-Y796 PolarHBondContact O-OH 2.84Å; D616-Y796 VanDerWaalsContact O-OH 3.1Å; V730-Y796 HydrophobicContact CG2-CE2 4.32Å; V730-Y796 WeakPolarHBondContact CG2-OH 3.19Å; L763-Y796 HydrophobicContact CD1-CD2 4.01Å; L763-Y796 HydrophobicContact CD1-CE2 3.7Å; V765-Y796 HydrophobicContact CG1-CD1 3.87Å; V765-Y796 HydrophobicContact CG1-CE1 4.48Å; V765-Y796 HydrophobicContact CG1-CG 3.93Å; V765-Y796 HydrophobicContact CG2-CD2 4.21Å; V765-Y796 HydrophobicContact CG2-CE2 4.25Å; V765-Y796 HydrophobicContact CG2-CG 4.4Å; I793-Y796 HydrophobicContact CD1-CD2 3.69Å; I793-Y796 HydrophobicContact CD1-CG 4.08Å; F794-Y796 PolarHBondContact O-N 2.03Å; Y796-D798 WeakPolarHBondContact CE2-O 3.47Å; Y796-D798 VanDerWaalsContact CZ-C 3.43Å; Y796-S799 WeakPolarHBondContact OH-CA 3.38Å; Y796-S799 PolarHBondContact OH-N 3.09Å; Y796-S799 VanDerWaalsContact OH-N 3.11Å; Y796-F802 HydrophobicContact CD2-CB 3.83Å; Y796-F802 AromaticContact CD2-CD1 3.87Å; Y796-F802 HydrophobicContact CD2-CD1 3.87Å; Y796-F802 HydrophobicContact CD2-CG 4.02Å; Y796-F802 HydrophobicContact CE2-CD1 4.08Å; Y796-F802 HydrophobicContact CG-CB 4.31Å; Y796-G913 WeakPolarHBondContact O-CA 3.48Å; Y796-R914 PolarHBondContact N-O 3.2Å; Y796-R914 PolarHBondContact O-N 3.12Å
797	Q	96.9	Very high	97.5	Very high	13 Å²	13	5.7 Å²	5.7	6%	0.061	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-60.1	174.8	-59.8	175.8	-35.6	0	0	107.4	G631 D632 G633 S801 M910	G631-Q797 PolarHBondContact O-NE2 2.95Å; D632-Q797 PolarHBondContact O-NE2 3.42Å; D632-Q797 VanDerWaalsContact O-NE2 3.09Å; G633-Q797 VanDerWaalsContact CA-CD 3.45Å; Q797-S801 PolarHBondContact N-O 2.96Å; Q797-M910 HydrophobicContact CG-CG 4.39Å
798	D	96.3	Very high	97.7	Very high	16 Å²	16	3.8 Å²	3.8	9%	0.086	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	169.5	178.4	65.3	68.8	0	0	0	110.1	D615 D617 Y796 S800 S801	D615-D798 HydrophobicContact CB-CB 4.36Å; D617-D798 HydrophobicContact CB-CB 3.69Å; Y796-D798 WeakPolarHBondContact CE2-O 3.47Å; Y796-D798 VanDerWaalsContact CZ-C 3.43Å; D798-S800 PolarHBondContact O-N 3.22Å; D798-S800 WeakPolarHBondContact OD1-CA 3.24Å; D798-S800 WeakPolarHBondContact OD1-CB 3.16Å; D798-S800 PolarHBondContact OD1-N 2.55Å; D798-S801 VanDerWaalsContact CG-OG 3.3Å; D798-S801 CarbonylContact O-C 3.19Å; D798-S801 PolarHBondContact O-N 2.86Å; D798-S801 WeakPolarHBondContact OD1-CB 3.05Å; D798-S801 PolarHBondContact OD1-N 3.13Å; D798-S801 PolarHBondContact OD1-OG 2.87Å; D798-S801 VanDerWaalsContact OD1-OG 3.11Å; D798-S801 WeakPolarHBondContact OD2-CB 3.47Å; D798-S801 PolarHBondContact OD2-OG 2.99Å
799	S	96.2	Very high	97.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-8.4	-179.8	65.1	0	0	0	0	114	D615 Y796 F802 P839 M843	D615-S799 VanDerWaalsContact C-OG 3.23Å; D615-S799 WeakPolarHBondContact CA-OG 3.13Å; D615-S799 WeakPolarHBondContact O-CB 3.32Å; D615-S799 PolarHBondContact O-N 3.37Å; D615-S799 PolarHBondContact O-OG 2.02Å; Y796-S799 WeakPolarHBondContact OH-CA 3.38Å; Y796-S799 PolarHBondContact OH-N 3.09Å; Y796-S799 VanDerWaalsContact OH-N 3.11Å; S799-F802 WeakPolarHBondContact O-CE1 3.43Å; S799-P839 VanDerWaalsContact OG-CD 3.3Å; S799-P839 WeakPolarHBondContact OG-CD 3.46Å; S799-P839 VanDerWaalsContact OG-CG 3.3Å; S799-P839 WeakPolarHBondContact OG-CG 3.25Å; S799-M843 WeakPolarHBondContact O-CE 3.35Å
800	S	96.4	Very high	97.5	Very high	14 Å²	14	8.1 Å²	8.1	10%	0.098	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-13.4	172	-56.1	0	0	0	0	113.2	D798 V833 K834 S835 G838	D798-S800 PolarHBondContact O-N 3.22Å; D798-S800 WeakPolarHBondContact OD1-CA 3.24Å; D798-S800 WeakPolarHBondContact OD1-CB 3.16Å; D798-S800 PolarHBondContact OD1-N 2.55Å; S800-V833 CarbonylContact O-C 3.55Å; S800-V833 VanDerWaalsContact O-C 3.28Å; S800-V833 WeakPolarHBondContact O-CG1 3.47Å; S800-K834 CarbonylContact O-C 3.43Å; S800-K834 WeakPolarHBondContact O-CA 3.23Å; S800-K834 PolarHBondContact O-N 3.31Å; S800-S835 WeakPolarHBondContact CB-O 3.46Å; S800-S835 PolarHBondContact O-N 2.92Å; S800-G838 WeakPolarHBondContact OG-CA 3.28Å
801	S	97.4	Very high	97.4	Very high	6 Å²	6	14.4 Å²	14.4	4%	0.042	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	93.5	-169.5	-56.4	0	0	0	0	112.2	Q797 D798 V833 K834	Q797-S801 PolarHBondContact N-O 2.96Å; D798-S801 VanDerWaalsContact CG-OG 3.3Å; D798-S801 CarbonylContact O-C 3.19Å; D798-S801 PolarHBondContact O-N 2.86Å; D798-S801 WeakPolarHBondContact OD1-CB 3.05Å; D798-S801 PolarHBondContact OD1-N 3.13Å; D798-S801 PolarHBondContact OD1-OG 2.87Å; D798-S801 VanDerWaalsContact OD1-OG 3.11Å; D798-S801 WeakPolarHBondContact OD2-CB 3.47Å; D798-S801 PolarHBondContact OD2-OG 2.99Å; S801-V833 WeakPolarHBondContact CA-O 3.06Å; S801-K834 VanDerWaalsContact CB-NZ 3.29Å; S801-K834 WeakPolarHBondContact OG-CD 3.49Å; S801-K834 WeakPolarHBondContact OG-CE 3.07Å; S801-K834 PolarHBondContact OG-NZ 3.36Å
802	F	98.5	Very high	97.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	155.7	175.4	58.4	-92.7	0	0	0	112.6	L732 L763 I793 Y796 S799 V804 V833 M843 M910	L732-F802 HydrophobicContact CD1-CZ 4.09Å; L732-F802 HydrophobicContact CD2-CE1 4.41Å; L732-F802 HydrophobicContact CD2-CZ 4.46Å; L763-F802 HydrophobicContact CD1-CE1 4.09Å; L763-F802 HydrophobicContact CD1-CE2 4.44Å; L763-F802 HydrophobicContact CD1-CZ 4.04Å; I793-F802 HydrophobicContact CB-CD2 4.37Å; I793-F802 HydrophobicContact CG2-CD2 3.88Å; I793-F802 HydrophobicContact CG2-CE2 4.1Å; Y796-F802 HydrophobicContact CD2-CB 3.83Å; Y796-F802 AromaticContact CD2-CD1 3.87Å; Y796-F802 HydrophobicContact CD2-CD1 3.87Å; Y796-F802 HydrophobicContact CD2-CG 4.02Å; Y796-F802 HydrophobicContact CE2-CD1 4.08Å; Y796-F802 HydrophobicContact CG-CB 4.31Å; S799-F802 WeakPolarHBondContact O-CE1 3.43Å; F802-V804 HydrophobicContact CD2-CB 4.07Å; F802-V804 HydrophobicContact CE2-CB 3.94Å; F802-V804 HydrophobicContact CE2-CG1 4.17Å; F802-V833 HydrophobicContact CD1-CB 4.26Å; F802-V833 HydrophobicContact CD2-CB 4.33Å; F802-V833 HydrophobicContact CD2-CG2 3.9Å; F802-V833 HydrophobicContact CE1-CB 4.2Å; F802-V833 HydrophobicContact CE1-CG1 4.15Å; F802-V833 HydrophobicContact CE1-CG2 4.26Å; F802-V833 HydrophobicContact CE2-CB 4.25Å; F802-V833 HydrophobicContact CE2-CG2 3.53Å; F802-V833 HydrophobicContact CG-CB 4.33Å; F802-V833 HydrophobicContact CG-CG2 4.4Å; F802-V833 HydrophobicContact CZ-CB 4.19Å; F802-V833 HydrophobicContact CZ-CG1 4.29Å; F802-V833 HydrophobicContact CZ-CG2 3.73Å; F802-V833 PolarHBondContact N-O 3.2Å; F802-V833 WeakPolarHBondContact O-CB 3.21Å; F802-V833 PolarHBondContact O-N 2.71Å; F802-M843 HydrophobicContact CE1-CE 3.45Å; F802-M843 VanDerWaalsContact CE1-CE 3.45Å; F802-M843 HydrophobicContact CZ-CE 3.47Å; F802-M843 VanDerWaalsContact CZ-CE 3.47Å; F802-M910 WeakPolarHBondContact O-CE 3.11Å
803	Y	98.8	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	142.7	167.1	-62.7	-77.5	0	0	0	109.7	I793 F794 K831 V832 L860 H881 I888 D907 S909 M910	I793-Y803 WeakPolarHBondContact CA-O 3.31Å; I793-Y803 VanDerWaalsContact CB-O 3.32Å; I793-Y803 WeakPolarHBondContact CB-O 2.99Å; F794-Y803 AromaticContact CD2-CD2 3.79Å; F794-Y803 HydrophobicContact CD2-CD2 3.79Å; F794-Y803 HydrophobicContact CD2-CG 4.12Å; F794-Y803 VanDerWaalsContact CE1-CB 3.43Å; F794-Y803 HydrophobicContact CE1-CG 4.3Å; F794-Y803 VanDerWaalsContact CE2-CB 3.48Å; F794-Y803 HydrophobicContact CE2-CD1 4.4Å; F794-Y803 AromaticContact CE2-CD2 3.42Å; F794-Y803 HydrophobicContact CE2-CD2 3.42Å; F794-Y803 VanDerWaalsContact CE2-CD2 3.42Å; F794-Y803 HydrophobicContact CE2-CE2 4.25Å; F794-Y803 AromaticContact CE2-CG 3.52Å; F794-Y803 HydrophobicContact CE2-CG 3.52Å; F794-Y803 HydrophobicContact CZ-CD1 4.28Å; F794-Y803 HydrophobicContact CZ-CD2 4.05Å; F794-Y803 AromaticContact CZ-CG 3.64Å; F794-Y803 HydrophobicContact CZ-CG 3.64Å; F794-Y803 PolarHBondContact N-O 2.82Å; F794-Y803 VanDerWaalsContact N-O 3.08Å; F794-Y803 WeakPolarHBondContact O-CB 3.49Å; F794-Y803 PolarHBondContact O-N 3.42Å; Y803-K831 WeakPolarHBondContact CA-O 3.49Å; Y803-V832 HydrophobicContact CD1-CB 3.83Å; Y803-V832 HydrophobicContact CD1-CG2 4.23Å; Y803-V832 HydrophobicContact CE1-CB 3.77Å; Y803-V832 HydrophobicContact CE1-CG2 3.94Å; Y803-L860 HydrophobicContact CD1-CD1 3.91Å; Y803-L860 HydrophobicContact CE1-CD1 3.81Å; Y803-H881 AromaticContact CE2-NE2 3.89Å; Y803-I888 HydrophobicContact CD1-CD1 4.12Å; Y803-I888 HydrophobicContact CE1-CD1 3.78Å; Y803-I888 HydrophobicContact CE2-CD1 4.27Å; Y803-D907 HydrophobicContact CE1-CB 4.15Å; Y803-D907 WeakPolarHBondContact CE1-OD1 3.36Å; Y803-D907 PolarHBondContact OH-O 3.27Å; Y803-D907 PolarHBondContact OH-OD1 2.78Å; Y803-S909 PolarHBondContact OH-N 2.91Å; Y803-M910 HydrophobicContact CD1-CE 3.56Å; Y803-M910 HydrophobicContact CD2-CB 4.29Å; Y803-M910 HydrophobicContact CD2-CE 3.31Å; Y803-M910 HydrophobicContact CE1-CE 3.54Å; Y803-M910 HydrophobicContact CE2-CB 3.72Å; Y803-M910 HydrophobicContact CE2-CE 3.31Å; Y803-M910 HydrophobicContact CE2-CG 4.48Å; Y803-M910 HydrophobicContact CE2-SD 4.37Å; Y803-M910 HydrophobicContact CG-CE 3.43Å; Y803-M910 VanDerWaalsContact CG-CE 3.43Å; Y803-M910 VanDerWaalsContact CZ-CE 3.4Å; Y803-M910 VanDerWaalsContact N-CE 3.35Å; Y803-M910 PolarHBondContact OH-N 2.79Å
804	V	98.7	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	128.3	177.5	58	0	0	0	0	110.5	I793 F802 M806 K831 V833 L847 F918	I793-V804 HydrophobicContact CG2-CB 4.02Å; I793-V804 HydrophobicContact CG2-CG2 3.99Å; F802-V804 HydrophobicContact CD2-CB 4.07Å; F802-V804 HydrophobicContact CE2-CB 3.94Å; F802-V804 HydrophobicContact CE2-CG1 4.17Å; V804-M806 HydrophobicContact CB-CE 4.33Å; V804-M806 HydrophobicContact CG1-CE 3.65Å; V804-M806 HydrophobicContact CG2-CB 4.31Å; V804-M806 HydrophobicContact CG2-CE 3.66Å; V804-K831 HydrophobicContact CG1-CB 3.89Å; V804-K831 PolarHBondContact N-O 2.73Å; V804-K831 PolarHBondContact O-N 3.46Å; V804-V833 HydrophobicContact CG1-CG2 4.04Å; V804-L847 HydrophobicContact CG1-CD2 4.26Å; V804-F918 HydrophobicContact CG2-CB 4.36Å; V804-F918 HydrophobicContact CG2-CD1 3.94Å; V804-F918 HydrophobicContact CG2-CE1 4.39Å; V804-F918 HydrophobicContact CG2-CG 4.05Å
805	V	98.7	Very high	96	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.024	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.2	162.8	173.4	0	0	0	0	106.9	G791 F792 F794 I828 Q829 L830 F892	G791-V805 CarbonylContact C-O 3.48Å; G791-V805 VanDerWaalsContact CA-O 3.26Å; G791-V805 WeakPolarHBondContact CA-O 3.24Å; F792-V805 HydrophobicContact CD1-CB 4.17Å; F792-V805 HydrophobicContact CD1-CG1 4.31Å; F792-V805 HydrophobicContact CD2-CB 4.32Å; F792-V805 HydrophobicContact CD2-CG2 4.48Å; F792-V805 HydrophobicContact CE1-CB 3.78Å; F792-V805 HydrophobicContact CE1-CG1 3.7Å; F792-V805 HydrophobicContact CE1-CG2 4.21Å; F792-V805 HydrophobicContact CE2-CB 3.92Å; F792-V805 HydrophobicContact CE2-CG2 3.71Å; F792-V805 HydrophobicContact CG-CB 4.43Å; F792-V805 HydrophobicContact CZ-CB 3.65Å; F792-V805 HydrophobicContact CZ-CG1 3.9Å; F792-V805 HydrophobicContact CZ-CG2 3.57Å; F792-V805 PolarHBondContact N-O 3.09Å; F792-V805 PolarHBondContact O-N 2.97Å; F794-V805 HydrophobicContact CE1-CG2 4.2Å; V805-I828 HydrophobicContact CG1-CG2 3.87Å; V805-Q829 WeakPolarHBondContact CA-O 3.33Å; V805-L830 HydrophobicContact CG2-CD1 3.7Å; V805-F892 HydrophobicContact CG1-CE1 4Å; V805-F892 HydrophobicContact CG1-CZ 3.53Å
806	M	98	Very high	95.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147.4	179.3	59.3	177.9	58.9	0	0	111.2	Y789 A790 V804 Q829 K831 L847 F918	Y789-M806 HydrophobicContact CD1-CB 3.86Å; Y789-M806 HydrophobicContact CD1-CG 4.04Å; Y789-M806 HydrophobicContact CD1-SD 4.06Å; Y789-M806 HydrophobicContact CE1-CB 4.26Å; Y789-M806 HydrophobicContact CE1-CG 3.92Å; Y789-M806 HydrophobicContact CE1-SD 3.79Å; A790-M806 WeakPolarHBondContact O-CA 3.46Å; V804-M806 HydrophobicContact CB-CE 4.33Å; V804-M806 HydrophobicContact CG1-CE 3.65Å; V804-M806 HydrophobicContact CG2-CB 4.31Å; V804-M806 HydrophobicContact CG2-CE 3.66Å; M806-Q829 HydrophobicContact CG-CB 4.02Å; M806-Q829 PolarHBondContact N-O 2.79Å; M806-Q829 PolarHBondContact O-N 2.04Å; M806-K831 HydrophobicContact CE-CD 4.23Å; M806-K831 HydrophobicContact SD-CD 3.95Å; M806-K831 VanDerWaalsContact SD-CE 3.56Å; M806-K831 PolarHBondContact SD-NZ 3.48Å; M806-K831 VanDerWaalsContact SD-NZ 3.35Å; M806-L847 HydrophobicContact CE-CB 4.46Å; M806-L847 HydrophobicContact CE-CD2 3.93Å; M806-L847 VanDerWaalsContact SD-O 3.36Å; M806-F918 HydrophobicContact CB-CD1 4.12Å; M806-F918 HydrophobicContact CB-CE1 3.87Å; M806-F918 HydrophobicContact CE-CD1 4.49Å; M806-F918 HydrophobicContact CE-CE1 3.74Å; M806-F918 HydrophobicContact CE-CZ 3.92Å
807	W	98.2	Very high	94.9	Very high	13 Å²	13	30.4 Å²	30.4	5%	0.049	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	123	-177.2	-163.3	2.4	0	0	0	110.5	F779 A790 I828 V867 W869 Y875	F779-W807 AromaticContact CD1-CE3 3.9Å; F779-W807 HydrophobicContact CD1-CE3 3.9Å; F779-W807 HydrophobicContact CD1-CZ3 4.07Å; F779-W807 AromaticContact CE1-CE3 3.83Å; F779-W807 HydrophobicContact CE1-CE3 3.83Å; F779-W807 HydrophobicContact CE1-CZ3 4.26Å; A790-W807 PolarHBondContact N-O 2.98Å; A790-W807 PolarHBondContact O-N 2.75Å; W807-I828 HydrophobicContact CB-CG1 4.27Å; W807-I828 HydrophobicContact CD2-CD1 4.23Å; W807-I828 HydrophobicContact CD2-CG1 3.47Å; W807-I828 VanDerWaalsContact CD2-CG1 3.47Å; W807-I828 HydrophobicContact CE3-CD1 4.34Å; W807-I828 HydrophobicContact CE3-CG1 3.94Å; W807-I828 HydrophobicContact CG-CG1 3.63Å; W807-I828 HydrophobicContact CH2-CD1 4.34Å; W807-I828 HydrophobicContact CZ2-CD1 4.23Å; W807-I828 HydrophobicContact CZ2-CG1 4.19Å; W807-I828 HydrophobicContact CZ3-CD1 4.4Å; W807-I828 HydrophobicContact CZ3-CG1 4.46Å; W807-V867 PolarHBondContact NE1-O 2.89Å; W807-W869 AromaticContact CD1-CD1 3.97Å; W807-W869 HydrophobicContact CD2-CB 3.88Å; W807-W869 HydrophobicContact CD2-CG 4.39Å; W807-W869 HydrophobicContact CE3-CB 4.03Å; W807-W869 HydrophobicContact CG-CB 4.46Å; W807-W869 AromaticContact CG-CD1 3.72Å; W807-W869 HydrophobicContact CH2-CB 4.2Å; W807-W869 HydrophobicContact CZ2-CB 4.03Å; W807-W869 HydrophobicContact CZ3-CB 4.19Å; W807-W869 VanDerWaalsContact O-CD1 3.3Å; W807-W869 PolarHBondContact O-NE1 2.98Å; W807-Y875 AromaticContact CH2-CD1 3.52Å; W807-Y875 HydrophobicContact CH2-CD1 3.52Å; W807-Y875 HydrophobicContact CH2-CD2 4.06Å; W807-Y875 AromaticContact CH2-CE1 3.5Å; W807-Y875 HydrophobicContact CH2-CE1 3.5Å; W807-Y875 HydrophobicContact CH2-CE2 4.03Å; W807-Y875 AromaticContact CH2-CG 3.8Å; W807-Y875 HydrophobicContact CH2-CG 3.8Å; W807-Y875 AromaticContact CH2-CZ 3.75Å; W807-Y875 HydrophobicContact CZ2-CE1 4.44Å; W807-Y875 AromaticContact CZ3-CD1 3.79Å; W807-Y875 HydrophobicContact CZ3-CD1 3.79Å; W807-Y875 AromaticContact CZ3-CD2 3.78Å; W807-Y875 HydrophobicContact CZ3-CD2 3.78Å; W807-Y875 HydrophobicContact CZ3-CE1 4.16Å; W807-Y875 HydrophobicContact CZ3-CE2 4.14Å; W807-Y875 AromaticContact CZ3-CG 3.57Å; W807-Y875 HydrophobicContact CZ3-CG 3.57Å
808	K	96.3	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	146.8	173.9	-170.3	170.6	169.2	47.1	0	111.6	D787 D788 Y789 T810 Q812 A824 P826 G827 G868	D787-K808 WeakPolarHBondContact O-CG 3.01Å; D787-K808 PolarHBondContact O-NZ 3.1Å; D787-K808 IonicContact OD1-NZ 3.67Å; D787-K808 PolarHBondContact OD1-NZ 3.48Å; D788-K808 IonicContact OD1-NZ 3.15Å; D788-K808 PolarHBondContact OD1-NZ 2.9Å; Y789-K808 HydrophobicContact CD1-CB 3.69Å; Y789-K808 HydrophobicContact CD2-CB 4.48Å; Y789-K808 HydrophobicContact CD2-CD 4.21Å; Y789-K808 HydrophobicContact CE1-CB 3.58Å; Y789-K808 HydrophobicContact CE2-CB 4.4Å; Y789-K808 HydrophobicContact CE2-CD 3.96Å; Y789-K808 HydrophobicContact CG-CB 4.16Å; K808-T810 VanDerWaalsContact CD-O 3.23Å; K808-T810 WeakPolarHBondContact CD-O 3.47Å; K808-T810 WeakPolarHBondContact CE-O 3.27Å; K808-T810 VanDerWaalsContact CG-O 3.31Å; K808-T810 WeakPolarHBondContact CG-O 3.39Å; K808-Q812 VanDerWaalsContact CE-CB 3.47Å; K808-A824 HydrophobicContact CD-CB 3.63Å; K808-P826 WeakPolarHBondContact O-CA 3.2Å; K808-G827 PolarHBondContact O-N 3.47Å; K808-G868 WeakPolarHBondContact O-CA 3.32Å
809	Q	95.9	Very high	94.2	Very high	43 Å²	43	33.4 Å²	33.4	20%	0.201	18%	0.184	C	C	.	.	S	Bend	trans	-77.1	-49.7	178.6	175.3	179.3	95.1	0	0	113.2	D787 P826 G868 W869 D871	D787-Q809 HydrophobicContact CB-CB 3.96Å; D787-Q809 HydrophobicContact CB-CG 4.25Å; D787-Q809 PolarHBondContact O-N 2.87Å; Q809-P826 WeakPolarHBondContact O-CB 3.28Å; Q809-G868 WeakPolarHBondContact O-CA 3.45Å; Q809-W869 HydrophobicContact CB-CD2 3.69Å; Q809-W869 VanDerWaalsContact CB-CE2 3.48Å; Q809-W869 HydrophobicContact CB-CE3 3.98Å; Q809-W869 HydrophobicContact CB-CG 4.3Å; Q809-W869 HydrophobicContact CB-CH2 3.84Å; Q809-W869 HydrophobicContact CB-CZ2 3.56Å; Q809-W869 HydrophobicContact CB-CZ3 4.05Å; Q809-W869 HydrophobicContact CG-CD2 4.48Å; Q809-W869 HydrophobicContact CG-CE3 4.37Å; Q809-W869 HydrophobicContact CG-CZ3 4.39Å; Q809-W869 VanDerWaalsContact CG-O 3.32Å; Q809-W869 WeakPolarHBondContact CG-O 3.47Å; Q809-W869 PolarHBondContact NE2-O 3.21Å; Q809-D871 PolarHBondContact NE2-OD1 2.87Å
810	T	93.9	Very high	94.2	Very high	49 Å²	49	35.9 Å²	35.9	30%	0.301	20%	0.195	S	C	.	.	S	Bend	trans	-122.8	172.9	-178.5	82.1	0	0	0	0	113.4	D787 K808	D787-T810 HydrophobicContact CB-CG2 3.94Å; D787-T810 PolarHBondContact OD1-OG1 3.49Å; D787-T810 WeakPolarHBondContact OD2-CG2 3.09Å; D787-T810 PolarHBondContact OD2-OG1 3.33Å; K808-T810 VanDerWaalsContact CD-O 3.23Å; K808-T810 WeakPolarHBondContact CD-O 3.47Å; K808-T810 WeakPolarHBondContact CE-O 3.27Å; K808-T810 VanDerWaalsContact CG-O 3.31Å; K808-T810 WeakPolarHBondContact CG-O 3.39Å
811	E	95	Very high	94.1	Very high	133 Å²	133	43.2 Å²	43.2	62%	0.621	22%	0.22	S	C	*	.			trans	-83.9	129.6	175	-171.2	-169.8	161.2	0	0	110.4	A824	E811-A824 WeakPolarHBondContact CA-O 3.36Å; E811-A824 VanDerWaalsContact CG-O 3.26Å; E811-A824 WeakPolarHBondContact CG-O 3.35Å
812	Q	92.8	Very high	94	Very high	53 Å²	53	42.9 Å²	42.9	25%	0.248	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	137.3	179.8	-174.6	177.8	-14.2	0	0	112.5	D787 D788 K808 A824 W848	D787-Q812 PolarHBondContact OD1-OE1 2.83Å; D788-Q812 PolarHBondContact OD1-OE1 3.09Å; D788-Q812 VanDerWaalsContact OD1-OE1 3.12Å; K808-Q812 VanDerWaalsContact CE-CB 3.47Å; Q812-A824 PolarHBondContact N-O 3.37Å; Q812-A824 WeakPolarHBondContact O-CB 3.26Å; Q812-A824 PolarHBondContact O-N 2.96Å; Q812-W848 HydrophobicContact CB-CZ2 4.09Å; Q812-W848 HydrophobicContact CG-CZ2 3.87Å; Q812-W848 PolarHBondContact O-NE1 2.71Å; Q812-W848 VanDerWaalsContact O-NE1 3.07Å
813	T	93.5	Very high	93.9	Very high	54 Å²	54	44.6 Å²	44.6	33%	0.331	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.4	165.5	-56.1	0	0	0	0	108.8	R821 A822 V823	T813-R821 HydrophobicContact CG2-CG 3.83Å; T813-A822 WeakPolarHBondContact CA-O 3.05Å; T813-A822 WeakPolarHBondContact CG2-O 3.14Å; T813-V823 HydrophobicContact CG2-CG2 4.26Å
814	Y	91.6	Very high	93.8	Very high	6 Å²	6	44.6 Å²	44.6	2%	0.024	23%	0.229	C	C	.	.			trans	-57.3	140.4	175.8	-165.4	-123.4	0	0	0	110.8	Q816 A822 R844 W848 F920	Y814-Q816 VanDerWaalsContact C-N 3.31Å; Y814-Q816 HydrophobicContact CD1-CB 3.9Å; Y814-Q816 WeakPolarHBondContact CD1-O 3.16Å; Y814-Q816 HydrophobicContact CE1-CB 3.71Å; Y814-Q816 HydrophobicContact CE1-CG 4.36Å; Y814-Q816 PolarHBondContact O-N 2.99Å; Y814-A822 PolarHBondContact N-O 3.45Å; Y814-R844 HydrophobicContact CE1-CG 4.28Å; Y814-R844 VanDerWaalsContact CE1-NE 3.33Å; Y814-R844 WeakPolarHBondContact OH-CD 3.45Å; Y814-W848 AromaticContact CD2-CD2 3.39Å; Y814-W848 HydrophobicContact CD2-CD2 3.39Å; Y814-W848 AromaticContact CD2-CE2 3.73Å; Y814-W848 AromaticContact CD2-CE3 3.37Å; Y814-W848 HydrophobicContact CD2-CE3 3.37Å; Y814-W848 AromaticContact CD2-CG 3.97Å; Y814-W848 HydrophobicContact CD2-CG 3.97Å; Y814-W848 AromaticContact CD2-CH2 3.94Å; Y814-W848 HydrophobicContact CD2-CH2 3.94Å; Y814-W848 HydrophobicContact CD2-CZ2 4Å; Y814-W848 AromaticContact CD2-CZ3 3.65Å; Y814-W848 HydrophobicContact CD2-CZ3 3.65Å; Y814-W848 HydrophobicContact CE2-CD2 4.23Å; Y814-W848 AromaticContact CE2-CE3 3.75Å; Y814-W848 HydrophobicContact CE2-CE3 3.75Å; Y814-W848 HydrophobicContact CE2-CH2 4.44Å; Y814-W848 AromaticContact CE2-CZ3 3.86Å; Y814-W848 HydrophobicContact CE2-CZ3 3.86Å; Y814-W848 AromaticContact CG-CD2 3.98Å; Y814-W848 HydrophobicContact CG-CD2 3.98Å; Y814-W848 HydrophobicContact CG-CE3 4.34Å; Y814-W848 HydrophobicContact CG-CG 4.08Å; Y814-F920 HydrophobicContact CE2-CE1 4.04Å; Y814-F920 AromaticContact CE2-CZ 3.83Å; Y814-F920 HydrophobicContact CE2-CZ 3.83Å
815	W	86.9	Confident	93.7	Very high	132 Å²	132	48.2 Å²	48.2	50%	0.5	25%	0.246	S	C	.	.	S	Bend	trans	-69.6	-29.7	-171.6	58.7	86.7	0	0	0	112.6	W848	W815-W848 HydrophobicContact CZ3-CH2 4.12Å; W815-W848 HydrophobicContact CZ3-CZ3 4.27Å
816	Q	86.3	Confident	93.6	Very high	32 Å²	32	48.7 Å²	48.7	15%	0.15	25%	0.249	C	C	.	.			trans	-86.5	112.5	171.2	-73.6	164	-18.8	0	0	110.3	D737 Y814 A818 R844 N845	D737-Q816 PolarHBondContact OD2-NE2 3.45Å; Y814-Q816 VanDerWaalsContact C-N 3.31Å; Y814-Q816 HydrophobicContact CD1-CB 3.9Å; Y814-Q816 WeakPolarHBondContact CD1-O 3.16Å; Y814-Q816 HydrophobicContact CE1-CB 3.71Å; Y814-Q816 HydrophobicContact CE1-CG 4.36Å; Y814-Q816 PolarHBondContact O-N 2.99Å; Q816-A818 VanDerWaalsContact C-N 3.27Å; Q816-A818 PolarHBondContact O-N 3.23Å; Q816-R844 VanDerWaalsContact OE1-NH2 3.07Å; Q816-N845 PolarHBondContact O-ND2 2.88Å
817	A	86.2	Confident	93.5	Very high	70 Å²	70	48.7 Å²	48.7	58%	0.579	25%	0.249	S	C	*	.			trans	-80	-7.8	178.6	0	0	0	0	0	114	F820 R821	A817-F820 CarbonylContact O-C 3.56Å; A817-F820 WeakPolarHBondContact O-CA 3.29Å; A817-R821 PolarHBondContact O-N 2.92Å
818	A	87.5	Confident	93.5	Very high	56 Å²	56	48.1 Å²	48.1	46%	0.463	25%	0.247	S	C	.	.			trans	-100.9	146.7	172.9	0	0	0	0	0	109.2	Q816 R844 N845	Q816-A818 VanDerWaalsContact C-N 3.27Å; Q816-A818 PolarHBondContact O-N 3.23Å; A818-R844 PolarHBondContact O-NH2 3.22Å; A818-N845 PolarHBondContact O-ND2 3.45Å
819	P	91.9	Very high	93.6	Very high	37 Å²	37	48.1 Å²	48.1	24%	0.24	25%	0.247	C	C	.	.	S	Bend	cis	-75.1	-20	0.3	27.7	-33.8	0	0	0	113.7	E841 Y842	P819-E841 HydrophobicContact CB-CG 4.5Å; P819-E841 WeakPolarHBondContact CD-O 3.42Å; P819-E841 HydrophobicContact CG-CB 4.43Å; P819-E841 HydrophobicContact CG-CG 4.04Å; P819-Y842 HydrophobicContact CB-CD1 4Å; P819-Y842 HydrophobicContact CB-CD2 4.04Å; P819-Y842 HydrophobicContact CB-CE1 3.65Å; P819-Y842 HydrophobicContact CB-CE2 3.66Å; P819-Y842 HydrophobicContact CB-CG 4.18Å; P819-Y842 VanDerWaalsContact CB-CZ 3.46Å; P819-Y842 HydrophobicContact CG-CD1 3.69Å; P819-Y842 HydrophobicContact CG-CD2 3.78Å; P819-Y842 HydrophobicContact CG-CE1 3.9Å; P819-Y842 HydrophobicContact CG-CE2 3.96Å; P819-Y842 HydrophobicContact CG-CG 3.63Å
820	F	95.2	Very high	93.8	Very high	52 Å²	52	46.2 Å²	46.2	23%	0.228	24%	0.238	C	C	.	.	S	Bend	trans	-146.2	162.9	169.4	67.8	-86.4	0	0	0	111	A817 A822 N845 H849 T853	A817-F820 CarbonylContact O-C 3.56Å; A817-F820 WeakPolarHBondContact O-CA 3.29Å; F820-A822 HydrophobicContact CE2-CB 4.3Å; F820-A822 PolarHBondContact O-N 2.89Å; F820-A822 VanDerWaalsContact O-N 3.1Å; F820-N845 HydrophobicContact CD1-CB 4.28Å; F820-N845 HydrophobicContact CE1-CB 3.75Å; F820-N845 HydrophobicContact CE2-CB 4.39Å; F820-N845 HydrophobicContact CZ-CB 3.82Å; F820-N845 PolarHBondContact O-ND2 2.86Å; F820-H849 HydrophobicContact CE2-CB 4.12Å; F820-T853 HydrophobicContact CE1-CG2 3.73Å; F820-T853 HydrophobicContact CE2-CG2 4.49Å; F820-T853 HydrophobicContact CZ-CG2 3.67Å
821	R	95.1	Very high	94	Very high	167 Å²	167	43.9 Å²	43.9	63%	0.63	22%	0.223	S	C	*	.			trans	-74.1	104.6	-179.1	-174.5	179.8	178.8	-166.9	-3.5	110.8	T813 A817	T813-R821 HydrophobicContact CG2-CG 3.83Å; A817-R821 PolarHBondContact O-N 2.92Å
822	A	95.8	Very high	94.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.			trans	-86.2	131.2	174.2	0	0	0	0	0	111.6	T813 Y814 F820 N845 W848 H849	T813-A822 WeakPolarHBondContact CA-O 3.05Å; T813-A822 WeakPolarHBondContact CG2-O 3.14Å; Y814-A822 PolarHBondContact N-O 3.45Å; F820-A822 HydrophobicContact CE2-CB 4.3Å; F820-A822 PolarHBondContact O-N 2.89Å; F820-A822 VanDerWaalsContact O-N 3.1Å; A822-N845 HydrophobicContact CB-CB 4.09Å; A822-N845 WeakPolarHBondContact CB-O 3.45Å; A822-W848 HydrophobicContact CB-CB 4.1Å; A822-W848 HydrophobicContact CB-CG 4.29Å; A822-H849 HydrophobicContact CB-CB 3.91Å
823	V	96.4	Very high	94.4	Very high	36 Å²	36	35.2 Å²	35.2	22%	0.218	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.3	174.7	-176.7	0	0	0	0	108.4	T813 H849 T850	T813-V823 HydrophobicContact CG2-CG2 4.26Å; V823-H849 PolarHBondContact N-ND1 3.02Å; V823-H849 CarbonylContact O-C 3.55Å; V823-H849 WeakPolarHBondContact O-CA 3.03Å; V823-H849 PolarHBondContact O-ND1 2.04Å; V823-T850 PolarHBondContact O-N 3.35Å
824	A	96.3	Very high	94.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.9	175.3	0	0	0	0	0	110	Y789 K808 E811 Q812 W848	Y789-A824 HydrophobicContact CE2-CB 3.66Å; Y789-A824 VanDerWaalsContact OH-CB 3.25Å; Y789-A824 WeakPolarHBondContact OH-CB 3.41Å; K808-A824 HydrophobicContact CD-CB 3.63Å; E811-A824 WeakPolarHBondContact CA-O 3.36Å; E811-A824 VanDerWaalsContact CG-O 3.26Å; E811-A824 WeakPolarHBondContact CG-O 3.35Å; Q812-A824 PolarHBondContact N-O 3.37Å; Q812-A824 WeakPolarHBondContact O-CB 3.26Å; Q812-A824 PolarHBondContact O-N 2.96Å; A824-W848 HydrophobicContact CB-CG 4.35Å; A824-W848 VanDerWaalsContact CB-NE1 3.3Å; A824-W848 WeakPolarHBondContact CB-O 3.5Å
825	E	96.8	Very high	94.8	Very high	76 Å²	76	37.7 Å²	37.7	36%	0.355	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-101.7	149.8	169.4	-60.6	-177.9	170.7	0	0	109.9	Q829 T850 K862	E825-Q829 PolarHBondContact O-NE2 3.42Å; E825-Q829 VanDerWaalsContact O-NE2 3.09Å; E825-T850 HydrophobicContact CB-CG2 4.1Å; E825-T850 HydrophobicContact CG-CG2 4.23Å; E825-T850 PolarHBondContact N-OG1 2.87Å; E825-K862 WeakPolarHBondContact OE2-CE 3.15Å; E825-K862 IonicContact OE2-NZ 3.28Å; E825-K862 PolarHBondContact OE2-NZ 2.97Å
826	P	96.9	Very high	95.2	Very high	14 Å²	14	39.2 Å²	39.2	9%	0.091	20%	0.201	C	C	.	.	S	Bend	trans	-69.7	164.3	177.1	30.9	-36.3	0	0	0	112	K808 Q809 N866	K808-P826 WeakPolarHBondContact O-CA 3.2Å; Q809-P826 WeakPolarHBondContact O-CB 3.28Å; P826-N866 PolarHBondContact O-OD1 2.76Å
827	G	95.7	Very high	95.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.2	164.2	-177.7	0	0	0	0	0	113.6	K808 V867	K808-G827 PolarHBondContact O-N 3.47Å; G827-V867 VanDerWaalsContact CA-O 3.26Å; G827-V867 WeakPolarHBondContact CA-O 3.27Å
828	I	98.2	Very high	95.8	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	134.6	-175	-56.2	154.7	0	0	0	108.6	V805 W807 W861 K862 D863 F892 A900	V805-I828 HydrophobicContact CG1-CG2 3.87Å; W807-I828 HydrophobicContact CB-CG1 4.27Å; W807-I828 HydrophobicContact CD2-CD1 4.23Å; W807-I828 HydrophobicContact CD2-CG1 3.47Å; W807-I828 VanDerWaalsContact CD2-CG1 3.47Å; W807-I828 HydrophobicContact CE3-CD1 4.34Å; W807-I828 HydrophobicContact CE3-CG1 3.94Å; W807-I828 HydrophobicContact CG-CG1 3.63Å; W807-I828 HydrophobicContact CH2-CD1 4.34Å; W807-I828 HydrophobicContact CZ2-CD1 4.23Å; W807-I828 HydrophobicContact CZ2-CG1 4.19Å; W807-I828 HydrophobicContact CZ3-CD1 4.4Å; W807-I828 HydrophobicContact CZ3-CG1 4.46Å; I828-W861 HydrophobicContact CB-CH2 4.42Å; I828-W861 HydrophobicContact CB-CZ3 3.9Å; I828-W861 HydrophobicContact CG2-CZ3 3.84Å; I828-W861 WeakPolarHBondContact O-CZ3 3.44Å; I828-K862 WeakPolarHBondContact O-CA 3.48Å; I828-D863 HydrophobicContact CB-CB 4.38Å; I828-D863 PolarHBondContact O-N 2.68Å; I828-F892 HydrophobicContact CD1-CB 3.99Å; I828-F892 HydrophobicContact CD1-CD1 3.85Å; I828-F892 HydrophobicContact CD1-CD2 3.69Å; I828-F892 HydrophobicContact CD1-CE1 4.29Å; I828-F892 HydrophobicContact CD1-CE2 4.17Å; I828-F892 HydrophobicContact CD1-CG 3.55Å; I828-F892 HydrophobicContact CD1-CZ 4.46Å; I828-F892 HydrophobicContact CG2-CD2 4.43Å; I828-F892 HydrophobicContact CG2-CE1 4.16Å; I828-F892 HydrophobicContact CG2-CE2 3.79Å; I828-F892 HydrophobicContact CG2-CZ 3.65Å; I828-A900 HydrophobicContact CD1-CB 3.71Å
829	Q	98.4	Very high	96.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.9	179	-62.7	172.1	52.6	0	0	108.3	Y789 V805 M806 E825 K831 T850 L859 K862	Y789-Q829 PolarHBondContact OH-NE2 2.96Å; V805-Q829 WeakPolarHBondContact CA-O 3.33Å; M806-Q829 HydrophobicContact CG-CB 4.02Å; M806-Q829 PolarHBondContact N-O 2.79Å; M806-Q829 PolarHBondContact O-N 2.04Å; E825-Q829 PolarHBondContact O-NE2 3.42Å; E825-Q829 VanDerWaalsContact O-NE2 3.09Å; Q829-K831 VanDerWaalsContact OE1-NZ 3.11Å; Q829-T850 PolarHBondContact NE2-OG1 3.34Å; Q829-T850 PolarHBondContact OE1-OG1 2.85Å; Q829-L859 HydrophobicContact CB-CD1 3.87Å; Q829-L859 HydrophobicContact CG-CD1 4.21Å; Q829-K862 HydrophobicContact CG-CD 4.23Å; Q829-K862 HydrophobicContact CG-CG 4.23Å
830	L	98.7	Very high	96.2	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.8	168	173.1	65.4	0	0	0	107.7	F794 V805 L860 W861 I888 I905	F794-L830 HydrophobicContact CE1-CD1 3.74Å; F794-L830 HydrophobicContact CZ-CD1 3.84Å; V805-L830 HydrophobicContact CG2-CD1 3.7Å; L830-L860 HydrophobicContact CD2-CB 4.17Å; L830-L860 HydrophobicContact CD2-CD1 4.18Å; L830-L860 HydrophobicContact CG-CB 4.09Å; L830-L860 HydrophobicContact CG-CD1 4.11Å; L830-L860 WeakPolarHBondContact O-CB 3.16Å; L830-L860 PolarHBondContact O-N 3.37Å; L830-W861 HydrophobicContact CB-CB 4.22Å; L830-W861 HydrophobicContact CB-CE3 4.49Å; L830-W861 PolarHBondContact N-O 2.99Å; L830-W861 PolarHBondContact O-N 2.72Å; L830-I888 HydrophobicContact CD2-CG2 3.82Å; L830-I905 HydrophobicContact CD2-CG1 4.36Å; L830-I905 HydrophobicContact CD2-CG2 4.49Å
831	K	98.6	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.2	-179.8	-55.7	-177.8	-172	177.6	0	110.4	Y803 V804 M806 Q829 L847 H849 V857 R858 L859	Y803-K831 WeakPolarHBondContact CA-O 3.49Å; V804-K831 HydrophobicContact CG1-CB 3.89Å; V804-K831 PolarHBondContact N-O 2.73Å; V804-K831 PolarHBondContact O-N 3.46Å; M806-K831 HydrophobicContact CE-CD 4.23Å; M806-K831 HydrophobicContact SD-CD 3.95Å; M806-K831 VanDerWaalsContact SD-CE 3.56Å; M806-K831 PolarHBondContact SD-NZ 3.48Å; M806-K831 VanDerWaalsContact SD-NZ 3.35Å; Q829-K831 VanDerWaalsContact OE1-NZ 3.11Å; K831-L847 PolarHBondContact NZ-O 2.77Å; K831-H849 PolarHBondContact NZ-O 2.96Å; K831-V857 HydrophobicContact CB-CG1 3.8Å; K831-V857 HydrophobicContact CD-CG1 3.66Å; K831-V857 HydrophobicContact CG-CG1 4.21Å; K831-R858 CarbonylContact C-O 3.48Å; K831-R858 VanDerWaalsContact CA-O 3.27Å; K831-R858 WeakPolarHBondContact CA-O 3.43Å; K831-L859 HydrophobicContact CG-CD1 3.82Å
832	V	98.4	Very high	96	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.024	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.5	163.1	53.5	0	0	0	0	108.4	Y803 V857 R858 L860 M910	Y803-V832 HydrophobicContact CD1-CB 3.83Å; Y803-V832 HydrophobicContact CD1-CG2 4.23Å; Y803-V832 HydrophobicContact CE1-CB 3.77Å; Y803-V832 HydrophobicContact CE1-CG2 3.94Å; V832-V857 WeakPolarHBondContact O-CA 3.18Å; V832-R858 HydrophobicContact CG1-CB 3.7Å; V832-R858 HydrophobicContact CG1-CG 4.22Å; V832-R858 WeakPolarHBondContact CG1-O 3.47Å; V832-R858 PolarHBondContact N-O 3.49Å; V832-R858 PolarHBondContact O-N 3.37Å; V832-L860 HydrophobicContact CB-CD1 4.24Å; V832-L860 HydrophobicContact CB-CD2 4.39Å; V832-L860 HydrophobicContact CB-CG 4.36Å; V832-L860 HydrophobicContact CG1-CD1 4.39Å; V832-L860 HydrophobicContact CG1-CD2 3.66Å; V832-L860 HydrophobicContact CG1-CG 4.04Å; V832-M910 HydrophobicContact CB-CE 4.32Å; V832-M910 HydrophobicContact CG2-CE 3.46Å; V832-M910 VanDerWaalsContact CG2-CE 3.46Å; V832-M910 HydrophobicContact CG2-SD 3.84Å
833	V	98.3	Very high	95.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.3	169.8	-172.2	0	0	0	0	107.1	S800 S801 F802 V804 M843 L847 V857	S800-V833 CarbonylContact O-C 3.55Å; S800-V833 VanDerWaalsContact O-C 3.28Å; S800-V833 WeakPolarHBondContact O-CG1 3.47Å; S801-V833 WeakPolarHBondContact CA-O 3.06Å; F802-V833 HydrophobicContact CD1-CB 4.26Å; F802-V833 HydrophobicContact CD2-CB 4.33Å; F802-V833 HydrophobicContact CD2-CG2 3.9Å; F802-V833 HydrophobicContact CE1-CB 4.2Å; F802-V833 HydrophobicContact CE1-CG1 4.15Å; F802-V833 HydrophobicContact CE1-CG2 4.26Å; F802-V833 HydrophobicContact CE2-CB 4.25Å; F802-V833 HydrophobicContact CE2-CG2 3.53Å; F802-V833 HydrophobicContact CG-CB 4.33Å; F802-V833 HydrophobicContact CG-CG2 4.4Å; F802-V833 HydrophobicContact CZ-CB 4.19Å; F802-V833 HydrophobicContact CZ-CG1 4.29Å; F802-V833 HydrophobicContact CZ-CG2 3.73Å; F802-V833 PolarHBondContact N-O 3.2Å; F802-V833 WeakPolarHBondContact O-CB 3.21Å; F802-V833 PolarHBondContact O-N 2.71Å; V804-V833 HydrophobicContact CG1-CG2 4.04Å; V833-M843 HydrophobicContact CB-CE 4.48Å; V833-M843 HydrophobicContact CG1-CE 3.4Å; V833-M843 HydrophobicContact CG1-SD 4.17Å; V833-L847 HydrophobicContact CG2-CD2 3.82Å; V833-V857 HydrophobicContact CG1-CG2 4.23Å; V833-V857 HydrophobicContact CG2-CG2 4.2Å
834	K	96.6	Very high	95.9	Very high	99 Å²	99	33.2 Å²	33.2	43%	0.43	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	78.2	167	-152.1	75.1	179.1	172.7	0	105.9	S800 S801 Q856 M910	S800-K834 CarbonylContact O-C 3.43Å; S800-K834 WeakPolarHBondContact O-CA 3.23Å; S800-K834 PolarHBondContact O-N 3.31Å; S801-K834 VanDerWaalsContact CB-NZ 3.29Å; S801-K834 WeakPolarHBondContact OG-CD 3.49Å; S801-K834 WeakPolarHBondContact OG-CE 3.07Å; S801-K834 PolarHBondContact OG-NZ 3.36Å; K834-Q856 CarbonylContact C-O 3.59Å; K834-Q856 PolarHBondContact N-O 2.88Å; K834-M910 HydrophobicContact CD-SD 4.11Å
835	S	96.3	Very high	95.8	Very high	14 Å²	14	33.2 Å²	33.2	10%	0.098	16%	0.162	C	C	.	.			trans	-82.8	127.7	-169	-175.5	0	0	0	0	111.2	S800 T837 G838 Q856	S800-S835 WeakPolarHBondContact CB-O 3.46Å; S800-S835 PolarHBondContact O-N 2.92Å; S835-T837 VanDerWaalsContact C-N 3.33Å; S835-T837 PolarHBondContact OG-N 2.81Å; S835-T837 PolarHBondContact OG-OG1 2.93Å; S835-G838 PolarHBondContact OG-N 2.87Å; S835-G838 VanDerWaalsContact OG-N 3.15Å; S835-Q856 PolarHBondContact OG-NE2 3.47Å; S835-Q856 PolarHBondContact OG-OE1 3.27Å
836	K	95.1	Very high	95.8	Very high	163 Å²	163	29.6 Å²	29.6	71%	0.709	15%	0.145	S	C	*	.	S	Bend	trans	-76.2	-22.6	172.4	-179.1	174.6	177	-179	0	113.4	D855	K836-D855 HydrophobicContact CB-CB 4.04Å; K836-D855 WeakPolarHBondContact CB-O 3.27Å; K836-D855 HydrophobicContact CD-CB 4.24Å; K836-D855 PolarHBondContact N-O 2.94Å
837	T	93.3	Very high	95.9	Very high	79 Å²	79	28.9 Å²	28.9	49%	0.485	14%	0.141	S	C	.	.	S	Bend	trans	-103	-14	-173.4	54	0	0	0	0	113.2	S835 Q856	S835-T837 VanDerWaalsContact C-N 3.33Å; S835-T837 PolarHBondContact OG-N 2.81Å; S835-T837 PolarHBondContact OG-OG1 2.93Å; T837-Q856 PolarHBondContact OG1-NE2 3.13Å; T837-Q856 PolarHBondContact OG1-OE1 2.79Å
838	G	93.1	Very high	95.9	Very high	8 Å²	8	28.9 Å²	28.9	8%	0.082	14%	0.141	C	C	.	.			trans	67.3	-167.2	-167	0	0	0	0	0	114.4	S800 S835 M843	S800-G838 WeakPolarHBondContact OG-CA 3.28Å; S835-G838 PolarHBondContact OG-N 2.87Å; S835-G838 VanDerWaalsContact OG-N 3.15Å; G838-M843 WeakPolarHBondContact O-CB 3.28Å
839	P	94.1	Very high	95.9	Very high	30 Å²	30	31.1 Å²	31.1	20%	0.195	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	143	175.1	-31.3	38.1	0	0	0	113.6	P734 S799	P734-P839 HydrophobicContact CG-CB 4.42Å; S799-P839 VanDerWaalsContact OG-CD 3.3Å; S799-P839 WeakPolarHBondContact OG-CD 3.46Å; S799-P839 VanDerWaalsContact OG-CG 3.3Å; S799-P839 WeakPolarHBondContact OG-CG 3.25Å
840	G	92.1	Very high	95.9	Very high	7 Å²	7	31.9 Å²	31.9	7%	0.072	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	131.6	-162.8	179.4	0	0	0	0	0	114.1	L732 Y842 M843 R844	L732-G840 PolarHBondContact O-N 3.07Å; G840-Y842 VanDerWaalsContact C-N 3.34Å; G840-Y842 PolarHBondContact O-N 3.42Å; G840-M843 PolarHBondContact O-N 3.14Å; G840-R844 VanDerWaalsContact O-CB 3.31Å; G840-R844 WeakPolarHBondContact O-CB 3.43Å; G840-R844 PolarHBondContact O-N 2.65Å
841	E	92.7	Very high	95.8	Very high	80 Å²	80	32.5 Å²	32.5	37%	0.374	16%	0.163	S	C	.	.	H	α-helix	trans	-61.7	-34.4	-164.3	68	165.5	-172.4	0	0	114.9	P819 N845	P819-E841 HydrophobicContact CB-CG 4.5Å; P819-E841 WeakPolarHBondContact CD-O 3.42Å; P819-E841 HydrophobicContact CG-CB 4.43Å; P819-E841 HydrophobicContact CG-CG 4.04Å; E841-N845 WeakPolarHBondContact O-CB 2.96Å; E841-N845 PolarHBondContact O-N 3.05Å; E841-N845 PolarHBondContact O-OD1 3.31Å
842	Y	94.3	Very high	95.7	Very high	111 Å²	111	37.5 Å²	37.5	44%	0.435	19%	0.189	S	C	.	.	H	α-helix	trans	-72.1	-47.5	179.1	-81.6	-94.2	0	0	0	111.1	P819 G840 S846	P819-Y842 HydrophobicContact CB-CD1 4Å; P819-Y842 HydrophobicContact CB-CD2 4.04Å; P819-Y842 HydrophobicContact CB-CE1 3.65Å; P819-Y842 HydrophobicContact CB-CE2 3.66Å; P819-Y842 HydrophobicContact CB-CG 4.18Å; P819-Y842 VanDerWaalsContact CB-CZ 3.46Å; P819-Y842 HydrophobicContact CG-CD1 3.69Å; P819-Y842 HydrophobicContact CG-CD2 3.78Å; P819-Y842 HydrophobicContact CG-CE1 3.9Å; P819-Y842 HydrophobicContact CG-CE2 3.96Å; P819-Y842 HydrophobicContact CG-CG 3.63Å; G840-Y842 VanDerWaalsContact C-N 3.34Å; G840-Y842 PolarHBondContact O-N 3.42Å; Y842-S846 VanDerWaalsContact O-CB 3.31Å; Y842-S846 WeakPolarHBondContact O-CB 3.3Å; Y842-S846 PolarHBondContact O-N 2.04Å; Y842-S846 PolarHBondContact O-OG 2.98Å
843	M	94.4	Very high	95.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.9	-46.5	-179.4	179.1	159.1	175.6	0	0	110.8	L732 S799 F802 V833 G838 G840 N845 S846 L847	L732-M843 HydrophobicContact CD1-CE 4.44Å; L732-M843 HydrophobicContact CD2-CE 3.99Å; S799-M843 WeakPolarHBondContact O-CE 3.35Å; F802-M843 HydrophobicContact CE1-CE 3.45Å; F802-M843 VanDerWaalsContact CE1-CE 3.45Å; F802-M843 HydrophobicContact CZ-CE 3.47Å; F802-M843 VanDerWaalsContact CZ-CE 3.47Å; V833-M843 HydrophobicContact CB-CE 4.48Å; V833-M843 HydrophobicContact CG1-CE 3.4Å; V833-M843 HydrophobicContact CG1-SD 4.17Å; G838-M843 WeakPolarHBondContact O-CB 3.28Å; G840-M843 PolarHBondContact O-N 3.14Å; M843-N845 PolarHBondContact O-N 2.8Å; M843-S846 CarbonylContact O-C 3.48Å; M843-S846 WeakPolarHBondContact O-CA 3.46Å; M843-S846 WeakPolarHBondContact O-CB 3.49Å; M843-S846 PolarHBondContact O-N 3.5Å; M843-L847 HydrophobicContact CE-CD1 3.96Å; M843-L847 HydrophobicContact CG-CD1 3.9Å; M843-L847 HydrophobicContact CG-CG 4.3Å; M843-L847 WeakPolarHBondContact O-CG 3.5Å; M843-L847 PolarHBondContact O-N 3.23Å
844	R	95	Very high	95.5	Very high	9 Å²	9	44 Å²	44	3%	0.034	23%	0.229	C	C	.	.	H	α-helix	trans	-50.9	-54.1	173.7	177.3	-165.9	74.4	-151.2	-3.5	113	D733 P761 Y814 Q816 A818 G840 S846 L847 W848 F920	D733-R844 HydrophobicContact CB-CB 4.29Å; D733-R844 HydrophobicContact CB-CG 4.38Å; D733-R844 IonicContact OD1-NH1 2.77Å; D733-R844 PolarHBondContact OD1-NH1 2.97Å; D733-R844 WeakPolarHBondContact OD2-CD 3.24Å; D733-R844 IonicContact OD2-CZ 3.38Å; D733-R844 IonicContact OD2-NE 2.61Å; D733-R844 IonicContact OD2-NH1 3.5Å; D733-R844 PolarHBondContact OD2-NH1 3.39Å; P761-R844 HydrophobicContact CG-CG 4.23Å; Y814-R844 HydrophobicContact CE1-CG 4.28Å; Y814-R844 VanDerWaalsContact CE1-NE 3.33Å; Y814-R844 WeakPolarHBondContact OH-CD 3.45Å; Q816-R844 VanDerWaalsContact OE1-NH2 3.07Å; A818-R844 PolarHBondContact O-NH2 3.22Å; G840-R844 VanDerWaalsContact O-CB 3.31Å; G840-R844 WeakPolarHBondContact O-CB 3.43Å; G840-R844 PolarHBondContact O-N 2.65Å; R844-S846 VanDerWaalsContact C-N 3.26Å; R844-S846 PolarHBondContact O-N 2.81Å; R844-L847 PolarHBondContact O-N 3.1Å; R844-W848 PolarHBondContact O-N 3.4Å; R844-F920 HydrophobicContact CG-CE1 4.31Å; R844-F920 HydrophobicContact CG-CE2 4.2Å; R844-F920 HydrophobicContact CG-CZ 3.51Å
845	N	95.3	Very high	95.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-32.2	-179.9	-77.3	38.7	0	0	0	111.6	Q816 A818 F820 A822 E841 M843 H849	Q816-N845 PolarHBondContact O-ND2 2.88Å; A818-N845 PolarHBondContact O-ND2 3.45Å; F820-N845 HydrophobicContact CD1-CB 4.28Å; F820-N845 HydrophobicContact CE1-CB 3.75Å; F820-N845 HydrophobicContact CE2-CB 4.39Å; F820-N845 HydrophobicContact CZ-CB 3.82Å; F820-N845 PolarHBondContact O-ND2 2.86Å; A822-N845 HydrophobicContact CB-CB 4.09Å; A822-N845 WeakPolarHBondContact CB-O 3.45Å; E841-N845 WeakPolarHBondContact O-CB 2.96Å; E841-N845 PolarHBondContact O-N 3.05Å; E841-N845 PolarHBondContact O-OD1 3.31Å; M843-N845 PolarHBondContact O-N 2.8Å; N845-H849 VanDerWaalsContact O-CB 3.3Å; N845-H849 WeakPolarHBondContact O-CB 3.39Å; N845-H849 PolarHBondContact O-N 3.39Å
846	S	97.2	Very high	95.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.9	-41.1	176.4	-57.1	0	0	0	0	112.6	Y842 M843 R844 H849 T853 Q856	Y842-S846 VanDerWaalsContact O-CB 3.31Å; Y842-S846 WeakPolarHBondContact O-CB 3.3Å; Y842-S846 PolarHBondContact O-N 2.04Å; Y842-S846 PolarHBondContact O-OG 2.98Å; M843-S846 CarbonylContact O-C 3.48Å; M843-S846 WeakPolarHBondContact O-CA 3.46Å; M843-S846 WeakPolarHBondContact O-CB 3.49Å; M843-S846 PolarHBondContact O-N 3.5Å; R844-S846 VanDerWaalsContact C-N 3.26Å; R844-S846 PolarHBondContact O-N 2.81Å; S846-H849 PolarHBondContact O-N 2.83Å; S846-T853 WeakPolarHBondContact OG-CB 3.13Å; S846-T853 VanDerWaalsContact OG-CG2 3.26Å; S846-T853 WeakPolarHBondContact OG-CG2 3.49Å; S846-Q856 WeakPolarHBondContact OG-CB 3.29Å
847	L	97.3	Very high	95.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-43.7	174.3	-72.6	167.9	0	0	0	110.9	L732 V804 M806 K831 V833 M843 R844 H849 V857	L732-L847 HydrophobicContact CB-CD1 4.47Å; L732-L847 HydrophobicContact CD1-CD1 3.73Å; V804-L847 HydrophobicContact CG1-CD2 4.26Å; M806-L847 HydrophobicContact CE-CB 4.46Å; M806-L847 HydrophobicContact CE-CD2 3.93Å; M806-L847 VanDerWaalsContact SD-O 3.36Å; K831-L847 PolarHBondContact NZ-O 2.77Å; V833-L847 HydrophobicContact CG2-CD2 3.82Å; M843-L847 HydrophobicContact CE-CD1 3.96Å; M843-L847 HydrophobicContact CG-CD1 3.9Å; M843-L847 HydrophobicContact CG-CG 4.3Å; M843-L847 WeakPolarHBondContact O-CG 3.5Å; M843-L847 PolarHBondContact O-N 3.23Å; R844-L847 PolarHBondContact O-N 3.1Å; L847-H849 PolarHBondContact O-N 3.27Å; L847-V857 HydrophobicContact CD2-CG2 4.38Å
848	W	97.2	Very high	95.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-41.9	175.9	-170.3	-78.9	0	0	0	112.4	D788 Y789 Q812 Y814 W815 A822 A824 R844 T850 F920	D788-W848 WeakPolarHBondContact OD1-CH2 3.46Å; Y789-W848 HydrophobicContact CD2-CD2 4.43Å; Y789-W848 HydrophobicContact CD2-CE3 4.17Å; Y789-W848 HydrophobicContact CE2-CD2 4.18Å; Y789-W848 HydrophobicContact CE2-CE3 4.37Å; Y789-W848 HydrophobicContact CE2-CG 4.31Å; Y789-W848 PolarHBondContact OH-O 2.87Å; Q812-W848 HydrophobicContact CB-CZ2 4.09Å; Q812-W848 HydrophobicContact CG-CZ2 3.87Å; Q812-W848 PolarHBondContact O-NE1 2.71Å; Q812-W848 VanDerWaalsContact O-NE1 3.07Å; Y814-W848 AromaticContact CD2-CD2 3.39Å; Y814-W848 HydrophobicContact CD2-CD2 3.39Å; Y814-W848 AromaticContact CD2-CE2 3.73Å; Y814-W848 AromaticContact CD2-CE3 3.37Å; Y814-W848 HydrophobicContact CD2-CE3 3.37Å; Y814-W848 AromaticContact CD2-CG 3.97Å; Y814-W848 HydrophobicContact CD2-CG 3.97Å; Y814-W848 AromaticContact CD2-CH2 3.94Å; Y814-W848 HydrophobicContact CD2-CH2 3.94Å; Y814-W848 HydrophobicContact CD2-CZ2 4Å; Y814-W848 AromaticContact CD2-CZ3 3.65Å; Y814-W848 HydrophobicContact CD2-CZ3 3.65Å; Y814-W848 HydrophobicContact CE2-CD2 4.23Å; Y814-W848 AromaticContact CE2-CE3 3.75Å; Y814-W848 HydrophobicContact CE2-CE3 3.75Å; Y814-W848 HydrophobicContact CE2-CH2 4.44Å; Y814-W848 AromaticContact CE2-CZ3 3.86Å; Y814-W848 HydrophobicContact CE2-CZ3 3.86Å; Y814-W848 AromaticContact CG-CD2 3.98Å; Y814-W848 HydrophobicContact CG-CD2 3.98Å; Y814-W848 HydrophobicContact CG-CE3 4.34Å; Y814-W848 HydrophobicContact CG-CG 4.08Å; W815-W848 HydrophobicContact CZ3-CH2 4.12Å; W815-W848 HydrophobicContact CZ3-CZ3 4.27Å; A822-W848 HydrophobicContact CB-CB 4.1Å; A822-W848 HydrophobicContact CB-CG 4.29Å; A824-W848 HydrophobicContact CB-CG 4.35Å; A824-W848 VanDerWaalsContact CB-NE1 3.3Å; A824-W848 WeakPolarHBondContact CB-O 3.5Å; R844-W848 PolarHBondContact O-N 3.4Å; W848-T850 PolarHBondContact O-N 2.88Å; W848-F920 HydrophobicContact CB-CE2 3.94Å; W848-F920 HydrophobicContact CD2-CE2 4.43Å; W848-F920 HydrophobicContact CE3-CD1 4.45Å; W848-F920 AromaticContact CE3-CD2 3.93Å; W848-F920 HydrophobicContact CE3-CD2 3.93Å; W848-F920 HydrophobicContact CE3-CE1 4.09Å; W848-F920 AromaticContact CE3-CE2 3.59Å; W848-F920 HydrophobicContact CE3-CE2 3.59Å; W848-F920 HydrophobicContact CE3-CG 4.36Å; W848-F920 AromaticContact CE3-CZ 3.65Å; W848-F920 HydrophobicContact CE3-CZ 3.65Å; W848-F920 HydrophobicContact CZ3-CD1 4.47Å; W848-F920 HydrophobicContact CZ3-CE1 4.28Å; W848-F920 HydrophobicContact CZ3-CE2 4.48Å; W848-F920 HydrophobicContact CZ3-CZ 4.29Å
849	H	98.1	Very high	96.1	Very high	47 Å²	47	39.1 Å²	39.1	22%	0.218	20%	0.201	C	C	.	.	S	Bend	trans	-68.5	128.6	-173	-173.6	37	0	0	0	112.5	F820 A822 V823 K831 N845 S846 L847 G851	F820-H849 HydrophobicContact CE2-CB 4.12Å; A822-H849 HydrophobicContact CB-CB 3.91Å; V823-H849 PolarHBondContact N-ND1 3.02Å; V823-H849 CarbonylContact O-C 3.55Å; V823-H849 WeakPolarHBondContact O-CA 3.03Å; V823-H849 PolarHBondContact O-ND1 2.04Å; K831-H849 PolarHBondContact NZ-O 2.96Å; N845-H849 VanDerWaalsContact O-CB 3.3Å; N845-H849 WeakPolarHBondContact O-CB 3.39Å; N845-H849 PolarHBondContact O-N 3.39Å; S846-H849 PolarHBondContact O-N 2.83Å; L847-H849 PolarHBondContact O-N 3.27Å; H849-G851 PolarHBondContact O-N 2.94Å
850	T	97.8	Very high	96.3	Very high	17 Å²	17	39.2 Å²	39.2	10%	0.104	20%	0.2	C	C	.	.	S	Bend	trans	-77.5	100.2	167.9	-57.4	0	0	0	0	110.1	V823 E825 Q829 W848 L859 K862	V823-T850 PolarHBondContact O-N 3.35Å; E825-T850 HydrophobicContact CB-CG2 4.1Å; E825-T850 HydrophobicContact CG-CG2 4.23Å; E825-T850 PolarHBondContact N-OG1 2.87Å; Q829-T850 PolarHBondContact NE2-OG1 3.34Å; Q829-T850 PolarHBondContact OE1-OG1 2.85Å; W848-T850 PolarHBondContact O-N 2.88Å; T850-L859 HydrophobicContact CG2-CD2 4.37Å; T850-K862 HydrophobicContact CG2-CD 3.5Å; T850-K862 VanDerWaalsContact CG2-CD 3.5Å
851	G	95.9	Very high	96.6	Very high	15 Å²	15	40.6 Å²	40.6	16%	0.155	20%	0.203	C	C	.	.	S	Bend	trans	149.1	-167.7	177.9	0	0	0	0	0	112	H849	H849-G851 PolarHBondContact O-N 2.94Å
852	N	97.6	Very high	96.8	Very high	105 Å²	105	38.9 Å²	38.9	56%	0.561	20%	0.195	S	C	*	.			trans	-91.3	135.7	175.8	-61.5	-11.9	0	0	0	109.8	V857 L859	N852-V857 CarbonylContact C-O 3.55Å; N852-V857 WeakPolarHBondContact CA-O 3.36Å; N852-L859 PolarHBondContact OD1-N 2.72Å
853	T	97.3	Very high	97	Very high	23 Å²	23	33.8 Å²	33.8	14%	0.141	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-119	118.7	166.5	-51.3	0	0	0	0	108.2	F820 S846 D855 Q856 V857	F820-T853 HydrophobicContact CE1-CG2 3.73Å; F820-T853 HydrophobicContact CE2-CG2 4.49Å; F820-T853 HydrophobicContact CZ-CG2 3.67Å; S846-T853 WeakPolarHBondContact OG-CB 3.13Å; S846-T853 VanDerWaalsContact OG-CG2 3.26Å; S846-T853 WeakPolarHBondContact OG-CG2 3.49Å; T853-D855 PolarHBondContact O-N 3.4Å; T853-Q856 HydrophobicContact CG2-CB 4.05Å; T853-Q856 HydrophobicContact CG2-CG 4.14Å; T853-Q856 PolarHBondContact O-N 3.28Å; T853-Q856 VanDerWaalsContact O-N 3.17Å; T853-V857 PolarHBondContact N-O 3.02Å; T853-V857 PolarHBondContact O-N 2.96Å; T853-V857 VanDerWaalsContact O-N 3.09Å; T853-V857 VanDerWaalsContact O-O 3.11Å
854	T	95.3	Very high	97	Very high	118 Å²	118	39.2 Å²	39.2	72%	0.724	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	135.9	-175.8	-49.8	0	0	0	0	111.4	Q856	T854-Q856 PolarHBondContact O-N 3Å; T854-Q856 VanDerWaalsContact O-N 3.17Å
855	D	95.2	Very high	97	Very high	104 Å²	104	43.8 Å²	43.8	56%	0.556	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	22.7	179.3	-50.7	-27.5	0	0	0	114.2	K836 T853	K836-D855 HydrophobicContact CB-CB 4.04Å; K836-D855 WeakPolarHBondContact CB-O 3.27Å; K836-D855 HydrophobicContact CD-CB 4.24Å; K836-D855 PolarHBondContact N-O 2.94Å; T853-D855 PolarHBondContact O-N 3.4Å
856	Q	97.1	Very high	97	Very high	11 Å²	11	46.9 Å²	46.9	5%	0.051	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-73.9	-177.3	-65.2	-69.6	-65.4	0	0	112	K834 S835 T837 S846 T853 T854	K834-Q856 CarbonylContact C-O 3.59Å; K834-Q856 PolarHBondContact N-O 2.88Å; S835-Q856 PolarHBondContact OG-NE2 3.47Å; S835-Q856 PolarHBondContact OG-OE1 3.27Å; T837-Q856 PolarHBondContact OG1-NE2 3.13Å; T837-Q856 PolarHBondContact OG1-OE1 2.79Å; S846-Q856 WeakPolarHBondContact OG-CB 3.29Å; T853-Q856 HydrophobicContact CG2-CB 4.05Å; T853-Q856 HydrophobicContact CG2-CG 4.14Å; T853-Q856 PolarHBondContact O-N 3.28Å; T853-Q856 VanDerWaalsContact O-N 3.17Å; T854-Q856 PolarHBondContact O-N 3Å; T854-Q856 VanDerWaalsContact O-N 3.17Å
857	V	98.2	Very high	97	Very high	4 Å²	4	50 Å²	50	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	135.3	-170.4	-178.7	0	0	0	0	109.7	K831 V832 V833 L847 N852 T853	K831-V857 HydrophobicContact CB-CG1 3.8Å; K831-V857 HydrophobicContact CD-CG1 3.66Å; K831-V857 HydrophobicContact CG-CG1 4.21Å; V832-V857 WeakPolarHBondContact O-CA 3.18Å; V833-V857 HydrophobicContact CG1-CG2 4.23Å; V833-V857 HydrophobicContact CG2-CG2 4.2Å; L847-V857 HydrophobicContact CD2-CG2 4.38Å; N852-V857 CarbonylContact C-O 3.55Å; N852-V857 WeakPolarHBondContact CA-O 3.36Å; T853-V857 PolarHBondContact N-O 3.02Å; T853-V857 PolarHBondContact O-N 2.96Å; T853-V857 VanDerWaalsContact O-N 3.09Å; T853-V857 VanDerWaalsContact O-O 3.11Å
858	R	98.1	Very high	96.9	Very high	101 Å²	101	50.5 Å²	50.5	38%	0.381	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.2	174.1	170	174.3	57.9	100	-2	110.3	K831 V832 L860 D907 S909	K831-R858 CarbonylContact C-O 3.48Å; K831-R858 VanDerWaalsContact CA-O 3.27Å; K831-R858 WeakPolarHBondContact CA-O 3.43Å; V832-R858 HydrophobicContact CG1-CB 3.7Å; V832-R858 HydrophobicContact CG1-CG 4.22Å; V832-R858 WeakPolarHBondContact CG1-O 3.47Å; V832-R858 PolarHBondContact N-O 3.49Å; V832-R858 PolarHBondContact O-N 3.37Å; R858-L860 HydrophobicContact CG-CD2 4.42Å; R858-L860 PolarHBondContact O-N 2.88Å; R858-D907 IonicContact CZ-OD2 3.64Å; R858-D907 IonicContact NH1-OD2 3.62Å; R858-D907 PolarHBondContact NH1-OD2 2.89Å; R858-D907 IonicContact NH2-OD1 3.88Å; R858-D907 IonicContact NH2-OD2 2.83Å; R858-D907 PolarHBondContact NH2-OD2 3.15Å; R858-S909 PolarHBondContact NH2-OG 3.25Å
859	L	98.2	Very high	96.9	Very high	39 Å²	39	50.7 Å²	50.7	20%	0.204	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	114.3	173.5	-176.2	68.5	0	0	0	108.9	Q829 K831 T850 N852 W861 K862	Q829-L859 HydrophobicContact CB-CD1 3.87Å; Q829-L859 HydrophobicContact CG-CD1 4.21Å; K831-L859 HydrophobicContact CG-CD1 3.82Å; T850-L859 HydrophobicContact CG2-CD2 4.37Å; N852-L859 PolarHBondContact OD1-N 2.72Å; L859-W861 VanDerWaalsContact CD1-O 3.3Å; L859-W861 WeakPolarHBondContact CD1-O 3.34Å; L859-K862 HydrophobicContact CD1-CB 4.38Å; L859-K862 HydrophobicContact CD2-CB 4.12Å
860	L	98.1	Very high	96.9	Very high	32 Å²	32	53 Å²	53	17%	0.168	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-44.1	177	-58.2	-175.1	0	0	0	110.8	Y803 L830 V832 R858 I888 I905 D907	Y803-L860 HydrophobicContact CD1-CD1 3.91Å; Y803-L860 HydrophobicContact CE1-CD1 3.81Å; L830-L860 HydrophobicContact CD2-CB 4.17Å; L830-L860 HydrophobicContact CD2-CD1 4.18Å; L830-L860 HydrophobicContact CG-CB 4.09Å; L830-L860 HydrophobicContact CG-CD1 4.11Å; L830-L860 WeakPolarHBondContact O-CB 3.16Å; L830-L860 PolarHBondContact O-N 3.37Å; V832-L860 HydrophobicContact CB-CD1 4.24Å; V832-L860 HydrophobicContact CB-CD2 4.39Å; V832-L860 HydrophobicContact CB-CG 4.36Å; V832-L860 HydrophobicContact CG1-CD1 4.39Å; V832-L860 HydrophobicContact CG1-CD2 3.66Å; V832-L860 HydrophobicContact CG1-CG 4.04Å; R858-L860 HydrophobicContact CG-CD2 4.42Å; R858-L860 PolarHBondContact O-N 2.88Å; L860-I888 HydrophobicContact CD1-CD1 4.41Å; L860-I905 HydrophobicContact CB-CG2 4.23Å; L860-I905 HydrophobicContact CD1-CG2 4.33Å; L860-D907 HydrophobicContact CD1-CB 4.13Å; L860-D907 WeakPolarHBondContact CD2-OD2 3.49Å
861	W	98.4	Very high	96.8	Very high	36 Å²	36	55 Å²	55	14%	0.136	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	150.6	-177.9	176.7	97.9	0	0	0	110.9	I828 L830 L859 D863 A900 T902 I905	I828-W861 HydrophobicContact CB-CH2 4.42Å; I828-W861 HydrophobicContact CB-CZ3 3.9Å; I828-W861 HydrophobicContact CG2-CZ3 3.84Å; I828-W861 WeakPolarHBondContact O-CZ3 3.44Å; L830-W861 HydrophobicContact CB-CB 4.22Å; L830-W861 HydrophobicContact CB-CE3 4.49Å; L830-W861 PolarHBondContact N-O 2.99Å; L830-W861 PolarHBondContact O-N 2.72Å; L859-W861 VanDerWaalsContact CD1-O 3.3Å; L859-W861 WeakPolarHBondContact CD1-O 3.34Å; W861-D863 VanDerWaalsContact CH2-CA 3.41Å; W861-D863 HydrophobicContact CH2-CB 3.6Å; W861-D863 HydrophobicContact CZ2-CB 4.22Å; W861-D863 HydrophobicContact CZ3-CB 4.12Å; W861-A900 HydrophobicContact CH2-CB 4.18Å; W861-T902 HydrophobicContact CD2-CG2 3.76Å; W861-T902 HydrophobicContact CE3-CG2 3.74Å; W861-T902 HydrophobicContact CG-CG2 4.2Å; W861-T902 HydrophobicContact CH2-CG2 4.36Å; W861-T902 HydrophobicContact CZ2-CG2 4.4Å; W861-T902 HydrophobicContact CZ3-CG2 4.05Å; W861-T902 PolarHBondContact NE1-O 3.4Å; W861-I905 HydrophobicContact CB-CD1 4.11Å; W861-I905 HydrophobicContact CB-CG1 4.43Å
862	K	97.5	Very high	96.8	Very high	45 Å²	45	59.6 Å²	59.6	20%	0.196	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	140.1	172	173.7	166.4	-174.5	-96.1	0	109.9	E825 I828 Q829 T850 L859 P864 N866	E825-K862 WeakPolarHBondContact OE2-CE 3.15Å; E825-K862 IonicContact OE2-NZ 3.28Å; E825-K862 PolarHBondContact OE2-NZ 2.97Å; I828-K862 WeakPolarHBondContact O-CA 3.48Å; Q829-K862 HydrophobicContact CG-CD 4.23Å; Q829-K862 HydrophobicContact CG-CG 4.23Å; T850-K862 HydrophobicContact CG2-CD 3.5Å; T850-K862 VanDerWaalsContact CG2-CD 3.5Å; L859-K862 HydrophobicContact CD1-CB 4.38Å; L859-K862 HydrophobicContact CD2-CB 4.12Å; K862-P864 VanDerWaalsContact O-CD 3.3Å; K862-P864 WeakPolarHBondContact O-CD 3.31Å; K862-P864 VanDerWaalsContact O-N 3.12Å; K862-N866 PolarHBondContact NZ-OD1 3.24Å
863	D	97.4	Very high	96.8	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	29%	0.289	C	S	.	.			trans	-57.8	115.2	175.8	-177.7	2.2	0	0	0	110.7	I828 W861 R865 N866	I828-D863 HydrophobicContact CB-CB 4.38Å; I828-D863 PolarHBondContact O-N 2.68Å; W861-D863 VanDerWaalsContact CH2-CA 3.41Å; W861-D863 HydrophobicContact CH2-CB 3.6Å; W861-D863 HydrophobicContact CZ2-CB 4.22Å; W861-D863 HydrophobicContact CZ3-CB 4.12Å; D863-R865 PolarHBondContact O-N 3.49Å; D863-R865 VanDerWaalsContact O-N 3.13Å; D863-R865 VanDerWaalsContact OD1-CB 3.31Å; D863-R865 WeakPolarHBondContact OD1-CB 3.49Å; D863-R865 VanDerWaalsContact OD1-CG 3.28Å; D863-R865 WeakPolarHBondContact OD1-CG 3.06Å; D863-R865 IonicContact OD1-CZ 3.84Å; D863-R865 PolarHBondContact OD1-N 2.83Å; D863-R865 IonicContact OD1-NE 2.81Å; D863-R865 PolarHBondContact OD1-NE 3.46Å; D863-R865 IonicContact OD2-CZ 3.44Å; D863-R865 VanDerWaalsContact OD2-CZ 3.24Å; D863-R865 IonicContact OD2-NE 3.71Å; D863-R865 PolarHBondContact OD2-NE 3.39Å; D863-R865 IonicContact OD2-NH2 3.5Å; D863-R865 PolarHBondContact OD2-NH2 3.24Å; D863-N866 PolarHBondContact O-N 3.07Å; D863-N866 VanDerWaalsContact O-N 3.09Å
864	P	95.4	Very high	96.8	Very high	115 Å²	115	55.7 Å²	55.7	75%	0.747	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.4	-178.8	27.4	-35.9	0	0	0	113	K862 N866	K862-P864 VanDerWaalsContact O-CD 3.3Å; K862-P864 WeakPolarHBondContact O-CD 3.31Å; K862-P864 VanDerWaalsContact O-N 3.12Å; P864-N866 VanDerWaalsContact C-N 3.31Å
865	R	94.8	Very high	96.9	Very high	105 Å²	105	50.2 Å²	50.2	40%	0.396	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.9	177.4	-53.7	172.5	-57.1	147.6	11.5	112	D863 V867 V899	D863-R865 PolarHBondContact O-N 3.49Å; D863-R865 VanDerWaalsContact O-N 3.13Å; D863-R865 VanDerWaalsContact OD1-CB 3.31Å; D863-R865 WeakPolarHBondContact OD1-CB 3.49Å; D863-R865 VanDerWaalsContact OD1-CG 3.28Å; D863-R865 WeakPolarHBondContact OD1-CG 3.06Å; D863-R865 IonicContact OD1-CZ 3.84Å; D863-R865 PolarHBondContact OD1-N 2.83Å; D863-R865 IonicContact OD1-NE 2.81Å; D863-R865 PolarHBondContact OD1-NE 3.46Å; D863-R865 IonicContact OD2-CZ 3.44Å; D863-R865 VanDerWaalsContact OD2-CZ 3.24Å; D863-R865 IonicContact OD2-NE 3.71Å; D863-R865 PolarHBondContact OD2-NE 3.39Å; D863-R865 IonicContact OD2-NH2 3.5Å; D863-R865 PolarHBondContact OD2-NH2 3.24Å; R865-V867 VanDerWaalsContact C-N 3.29Å; R865-V867 HydrophobicContact CB-CG2 3.88Å; R865-V867 PolarHBondContact O-N 3.41Å; R865-V899 VanDerWaalsContact CZ-C 3.49Å; R865-V899 PolarHBondContact NE-O 3.15Å; R865-V899 PolarHBondContact NH1-O 3.11Å; R865-V899 PolarHBondContact NH2-O 2.9Å
866	N	95.8	Very high	97	Very high	64 Å²	64	45.8 Å²	45.8	34%	0.342	23%	0.226	S	C	.	.			trans	55.5	42.8	179.9	-162.4	63.4	0	0	0	112.6	P826 K862 D863 P864	P826-N866 PolarHBondContact O-OD1 2.76Å; K862-N866 PolarHBondContact NZ-OD1 3.24Å; D863-N866 PolarHBondContact O-N 3.07Å; D863-N866 VanDerWaalsContact O-N 3.09Å; P864-N866 VanDerWaalsContact C-N 3.31Å
867	V	96.3	Very high	97.1	Very high	66 Å²	66	45.6 Å²	45.6	40%	0.4	23%	0.225	S	C	.	.			trans	-105.9	119	-176.7	178.7	0	0	0	0	109.4	W807 G827 R865	W807-V867 PolarHBondContact NE1-O 2.89Å; G827-V867 VanDerWaalsContact CA-O 3.26Å; G827-V867 WeakPolarHBondContact CA-O 3.27Å; R865-V867 VanDerWaalsContact C-N 3.29Å; R865-V867 HydrophobicContact CB-CG2 3.88Å; R865-V867 PolarHBondContact O-N 3.41Å
868	G	96.3	Very high	97.1	Very high	11 Å²	11	47.3 Å²	47.3	11%	0.113	23%	0.232	C	C	.	.			trans	-70.5	163.8	173	0	0	0	0	0	113.4	K808 Q809	K808-G868 WeakPolarHBondContact O-CA 3.32Å; Q809-G868 WeakPolarHBondContact O-CA 3.45Å
869	W	97	Very high	97.1	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.015	21%	0.214	C	C	.	.			trans	-64.9	159	170.9	51.5	-103	0	0	0	110.9	F779 V781 D788 W807 Q809 Y875 Q922	F779-W869 HydrophobicContact CE1-CB 3.74Å; F779-W869 AromaticContact CE1-CG 3.86Å; F779-W869 HydrophobicContact CE1-CG 3.86Å; F779-W869 HydrophobicContact CZ-CB 4.46Å; F779-W869 AromaticContact CZ-CD1 4Å; F779-W869 HydrophobicContact CZ-CD2 4.47Å; F779-W869 HydrophobicContact CZ-CG 4.09Å; V781-W869 HydrophobicContact CB-CE3 4.25Å; V781-W869 HydrophobicContact CB-CH2 4.41Å; V781-W869 HydrophobicContact CB-CZ3 4Å; V781-W869 HydrophobicContact CG1-CH2 4.03Å; V781-W869 HydrophobicContact CG1-CZ3 3.97Å; V781-W869 HydrophobicContact CG2-CD2 4.28Å; V781-W869 HydrophobicContact CG2-CE3 4.12Å; V781-W869 HydrophobicContact CG2-CH2 4.31Å; V781-W869 HydrophobicContact CG2-CZ2 4.42Å; V781-W869 HydrophobicContact CG2-CZ3 4.14Å; D788-W869 WeakPolarHBondContact O-CZ2 3.49Å; D788-W869 PolarHBondContact O-NE1 2.85Å; W807-W869 AromaticContact CD1-CD1 3.97Å; W807-W869 HydrophobicContact CD2-CB 3.88Å; W807-W869 HydrophobicContact CD2-CG 4.39Å; W807-W869 HydrophobicContact CE3-CB 4.03Å; W807-W869 HydrophobicContact CG-CB 4.46Å; W807-W869 AromaticContact CG-CD1 3.72Å; W807-W869 HydrophobicContact CH2-CB 4.2Å; W807-W869 HydrophobicContact CZ2-CB 4.03Å; W807-W869 HydrophobicContact CZ3-CB 4.19Å; W807-W869 VanDerWaalsContact O-CD1 3.3Å; W807-W869 PolarHBondContact O-NE1 2.98Å; Q809-W869 HydrophobicContact CB-CD2 3.69Å; Q809-W869 VanDerWaalsContact CB-CE2 3.48Å; Q809-W869 HydrophobicContact CB-CE3 3.98Å; Q809-W869 HydrophobicContact CB-CG 4.3Å; Q809-W869 HydrophobicContact CB-CH2 3.84Å; Q809-W869 HydrophobicContact CB-CZ2 3.56Å; Q809-W869 HydrophobicContact CB-CZ3 4.05Å; Q809-W869 HydrophobicContact CG-CD2 4.48Å; Q809-W869 HydrophobicContact CG-CE3 4.37Å; Q809-W869 HydrophobicContact CG-CZ3 4.39Å; Q809-W869 VanDerWaalsContact CG-O 3.32Å; Q809-W869 WeakPolarHBondContact CG-O 3.47Å; Q809-W869 PolarHBondContact NE2-O 3.21Å; W869-Y875 HydrophobicContact CB-CE2 4Å; W869-Q922 HydrophobicContact CZ2-CG 4.47Å
870	K	96.9	Very high	97.1	Very high	94 Å²	94	41.6 Å²	41.6	41%	0.409	21%	0.208	S	C	.	.			trans	-108.9	145.2	179.7	-61.5	170.2	-166.7	160.8	0	110.1	K872 V873 Y875 E894	K870-K872 PolarHBondContact O-N 3.44Å; K870-V873 HydrophobicContact CB-CB 4.03Å; K870-V873 HydrophobicContact CB-CG2 3.68Å; K870-V873 HydrophobicContact CD-CG2 4.32Å; K870-V873 PolarHBondContact O-N 3.31Å; K870-Y875 WeakPolarHBondContact CB-OH 3.25Å; K870-Y875 WeakPolarHBondContact CG-OH 3Å; K870-Y875 PolarHBondContact N-OH 2.84Å; K870-Y875 VanDerWaalsContact N-OH 3.1Å; K870-E894 IonicContact NZ-OE1 3.63Å; K870-E894 PolarHBondContact NZ-OE1 2.86Å; K870-E894 IonicContact NZ-OE2 2.6Å; K870-E894 PolarHBondContact NZ-OE2 3.02Å
871	D	96.6	Very high	97.1	Very high	61 Å²	61	40.2 Å²	40.2	33%	0.326	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	133.8	176	-49.9	-25.8	0	0	0	111.2	V784 Q809 V873	V784-D871 HydrophobicContact CG1-CB 3.95Å; Q809-D871 PolarHBondContact NE2-OD1 2.87Å; D871-V873 PolarHBondContact O-N 3.17Å
872	K	95.6	Very high	97	Very high	110 Å²	110	38.5 Å²	38.5	48%	0.478	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	39.8	176.2	-55.9	-173.3	173.7	-104.7	0	113.6	H780 V781 N782 K870	H780-K872 VanDerWaalsContact CE1-C 3.48Å; V781-K872 WeakPolarHBondContact O-CA 3.45Å; V781-K872 PolarHBondContact O-N 3.47Å; N782-K872 PolarHBondContact O-NZ 2.82Å; N782-K872 PolarHBondContact OD1-NZ 3.02Å; K870-K872 PolarHBondContact O-N 3.44Å
873	V	96.8	Very high	96.9	Very high	39 Å²	39	36.4 Å²	36.4	24%	0.236	19%	0.186	C	C	.	.			trans	-122.9	130.5	173.1	176.7	0	0	0	0	108.7	K870 D871 Y875 E894	K870-V873 HydrophobicContact CB-CB 4.03Å; K870-V873 HydrophobicContact CB-CG2 3.68Å; K870-V873 HydrophobicContact CD-CG2 4.32Å; K870-V873 PolarHBondContact O-N 3.31Å; D871-V873 PolarHBondContact O-N 3.17Å; V873-Y875 HydrophobicContact CB-CE2 3.96Å; V873-Y875 HydrophobicContact CG1-CD2 4.46Å; V873-Y875 HydrophobicContact CG1-CE1 4.18Å; V873-Y875 HydrophobicContact CG1-CE2 3.82Å; V873-Y875 VanDerWaalsContact O-CD2 3.29Å; V873-Y875 WeakPolarHBondContact O-CD2 3.04Å; V873-Y875 VanDerWaalsContact O-CE2 3.29Å; V873-Y875 WeakPolarHBondContact O-CE2 3.03Å; V873-E894 HydrophobicContact CG1-CG 4.08Å
874	S	97.5	Very high	96.7	Very high	7 Å²	7	39.8 Å²	39.8	5%	0.049	20%	0.201	C	C	.	.			trans	-85.7	141	176.8	-58.1	0	0	0	0	112.5	D464 P489 F779 H780	D464-S874 VanDerWaalsContact CA-OG 3.26Å; D464-S874 WeakPolarHBondContact CA-OG 3.42Å; D464-S874 WeakPolarHBondContact CB-OG 3.32Å; D464-S874 WeakPolarHBondContact O-CB 3.44Å; D464-S874 PolarHBondContact O-OG 3.34Å; P489-S874 WeakPolarHBondContact CG-OG 3.18Å; F779-S874 WeakPolarHBondContact O-CA 3.4Å; H780-S874 PolarHBondContact ND1-OG 2.93Å
875	Y	98	Very high	96.6	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.4	176.3	-59.1	-87.3	0	0	0	110.1	T778 F779 W807 W869 K870 V873 Y893 E894	T778-Y875 CarbonylContact C-O 3.59Å; T778-Y875 WeakPolarHBondContact CA-O 3.21Å; F779-Y875 AromaticContact CD1-CD2 3.84Å; F779-Y875 HydrophobicContact CD1-CD2 3.84Å; F779-Y875 HydrophobicContact CD1-CG 4.45Å; F779-Y875 HydrophobicContact CE1-CD2 4.3Å; F779-Y875 PolarHBondContact N-O 2.9Å; F779-Y875 PolarHBondContact O-N 2.03Å; W807-Y875 AromaticContact CH2-CD1 3.52Å; W807-Y875 HydrophobicContact CH2-CD1 3.52Å; W807-Y875 HydrophobicContact CH2-CD2 4.06Å; W807-Y875 AromaticContact CH2-CE1 3.5Å; W807-Y875 HydrophobicContact CH2-CE1 3.5Å; W807-Y875 HydrophobicContact CH2-CE2 4.03Å; W807-Y875 AromaticContact CH2-CG 3.8Å; W807-Y875 HydrophobicContact CH2-CG 3.8Å; W807-Y875 AromaticContact CH2-CZ 3.75Å; W807-Y875 HydrophobicContact CZ2-CE1 4.44Å; W807-Y875 AromaticContact CZ3-CD1 3.79Å; W807-Y875 HydrophobicContact CZ3-CD1 3.79Å; W807-Y875 AromaticContact CZ3-CD2 3.78Å; W807-Y875 HydrophobicContact CZ3-CD2 3.78Å; W807-Y875 HydrophobicContact CZ3-CE1 4.16Å; W807-Y875 HydrophobicContact CZ3-CE2 4.14Å; W807-Y875 AromaticContact CZ3-CG 3.57Å; W807-Y875 HydrophobicContact CZ3-CG 3.57Å; W869-Y875 HydrophobicContact CB-CE2 4Å; K870-Y875 WeakPolarHBondContact CB-OH 3.25Å; K870-Y875 WeakPolarHBondContact CG-OH 3Å; K870-Y875 PolarHBondContact N-OH 2.84Å; K870-Y875 VanDerWaalsContact N-OH 3.1Å; V873-Y875 HydrophobicContact CB-CE2 3.96Å; V873-Y875 HydrophobicContact CG1-CD2 4.46Å; V873-Y875 HydrophobicContact CG1-CE1 4.18Å; V873-Y875 HydrophobicContact CG1-CE2 3.82Å; V873-Y875 VanDerWaalsContact O-CD2 3.29Å; V873-Y875 WeakPolarHBondContact O-CD2 3.04Å; V873-Y875 VanDerWaalsContact O-CE2 3.29Å; V873-Y875 WeakPolarHBondContact O-CE2 3.03Å; Y875-Y893 CarbonylContact C-O 3.47Å; Y875-Y893 WeakPolarHBondContact CA-O 3.47Å; Y875-Y893 WeakPolarHBondContact CB-O 3.48Å; Y875-E894 HydrophobicContact CD1-CB 3.84Å; Y875-E894 HydrophobicContact CD1-CG 4.18Å; Y875-E894 HydrophobicContact CE1-CB 3.75Å; Y875-E894 HydrophobicContact CE1-CG 3.71Å
876	R	98.1	Very high	96.6	Very high	11 Å²	11	30.9 Å²	30.9	4%	0.042	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.5	171.2	-165.2	78.3	177.7	158.6	0.2	109.4	I450 I465 E776 G777 T778 F892 Y893 N929	I450-R876 HydrophobicContact CD1-CG 4.09Å; I450-R876 HydrophobicContact CG1-CG 4.28Å; I450-R876 HydrophobicContact CG2-CB 3.61Å; I450-R876 HydrophobicContact CG2-CG 3.93Å; I465-R876 HydrophobicContact CD1-CB 4.4Å; I465-R876 HydrophobicContact CG2-CB 4.21Å; I465-R876 HydrophobicContact CG2-CG 4.45Å; E776-R876 IonicContact OE1-NH2 2.8Å; E776-R876 IonicContact OE2-CZ 2.67Å; E776-R876 IonicContact OE2-NE 2.76Å; E776-R876 PolarHBondContact OE2-NE 2.82Å; E776-R876 IonicContact OE2-NH2 3.71Å; E776-R876 PolarHBondContact OE2-NH2 3.47Å; G777-R876 VanDerWaalsContact C-NH1 3.32Å; G777-R876 VanDerWaalsContact CA-NH1 3.35Å; G777-R876 WeakPolarHBondContact O-CA 3.37Å; G777-R876 WeakPolarHBondContact O-CD 3.27Å; T778-R876 WeakPolarHBondContact OG1-CD 3.06Å; T778-R876 PolarHBondContact OG1-NH1 2.95Å; R876-F892 CarbonylContact O-C 3.59Å; R876-F892 VanDerWaalsContact O-CA 3.31Å; R876-F892 WeakPolarHBondContact O-CA 3.44Å; R876-Y893 HydrophobicContact CB-CD2 4.39Å; R876-Y893 PolarHBondContact N-O 3.24Å; R876-Y893 PolarHBondContact O-N 2.9Å; R876-N929 PolarHBondContact NH1-ND2 3.02Å; R876-N929 PolarHBondContact NH1-O 3.3Å; R876-N929 PolarHBondContact NH2-O 3.44Å
877	W	98.3	Very high	96.7	Very high	6 Å²	6	27.9 Å²	27.9	2%	0.023	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	152.6	164.4	75	80.9	0	0	0	110.6	F775 E776 G777 F779 F792 R891 F892 W927 L930	F775-W877 AromaticContact CD1-NE1 3.97Å; F775-W877 HydrophobicContact CE1-CZ2 4.21Å; F775-W877 AromaticContact CE1-NE1 3.99Å; F775-W877 AromaticContact CZ-CZ2 3.99Å; F775-W877 HydrophobicContact CZ-CZ2 3.99Å; E776-W877 VanDerWaalsContact CA-O 3.28Å; E776-W877 WeakPolarHBondContact CA-O 3.41Å; E776-W877 WeakPolarHBondContact CB-O 3.3Å; G777-W877 VanDerWaalsContact C-CZ3 3.46Å; G777-W877 VanDerWaalsContact CA-CZ2 3.46Å; G777-W877 PolarHBondContact N-O 2.84Å; G777-W877 PolarHBondContact O-N 3.02Å; F779-W877 HydrophobicContact CB-CE3 3.8Å; F779-W877 HydrophobicContact CB-CZ3 3.69Å; F792-W877 HydrophobicContact CB-CZ2 4.47Å; F792-W877 AromaticContact CD1-CD1 3.94Å; F792-W877 AromaticContact CD1-CD2 3.66Å; F792-W877 HydrophobicContact CD1-CD2 3.66Å; F792-W877 AromaticContact CD1-CE2 3.63Å; F792-W877 HydrophobicContact CD1-CE3 4.2Å; F792-W877 AromaticContact CD1-CG 3.88Å; F792-W877 HydrophobicContact CD1-CG 3.88Å; F792-W877 HydrophobicContact CD1-CZ2 4.19Å; F792-W877 AromaticContact CD1-NE1 3.78Å; F792-W877 HydrophobicContact CE1-CB 3.8Å; F792-W877 AromaticContact CE1-CD1 3.38Å; F792-W877 AromaticContact CE1-CD2 3.62Å; F792-W877 HydrophobicContact CE1-CD2 3.62Å; F792-W877 AromaticContact CE1-CE2 3.89Å; F792-W877 HydrophobicContact CE1-CE3 4.39Å; F792-W877 AromaticContact CE1-CG 3.31Å; F792-W877 HydrophobicContact CE1-CG 3.31Å; F792-W877 AromaticContact CE1-NE1 3.72Å; F792-W877 HydrophobicContact CG-CZ2 4.43Å; F792-W877 HydrophobicContact CZ-CB 4.34Å; F792-W877 AromaticContact CZ-CD1 3.53Å; F792-W877 AromaticContact CZ-CG 3.89Å; F792-W877 HydrophobicContact CZ-CG 3.89Å; F792-W877 AromaticContact CZ-NE1 3.96Å; W877-R891 CarbonylContact C-O 3.58Å; W877-R891 VanDerWaalsContact CA-O 3.32Å; W877-R891 WeakPolarHBondContact CA-O 3.23Å; W877-F892 HydrophobicContact CB-CD1 3.79Å; W877-F892 HydrophobicContact CB-CE1 3.64Å; W877-F892 HydrophobicContact CB-CZ 4.37Å; W877-W927 HydrophobicContact CH2-CB 4.1Å; W877-W927 AromaticContact CH2-CD1 3.46Å; W877-W927 VanDerWaalsContact CH2-CD1 3.46Å; W877-W927 HydrophobicContact CH2-CG 4.16Å; W877-W927 AromaticContact CZ3-CD1 3.75Å; W877-L930 HydrophobicContact CH2-CD2 3.59Å; W877-L930 HydrophobicContact CZ2-CD2 3.53Å
878	F	97.8	Very high	96.8	Very high	40 Å²	40	24.7 Å²	24.7	18%	0.175	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	111.1	172.2	-175.8	-99.1	0	0	0	108.4	D774 E776 Q880 A890 R891	D774-F878 HydrophobicContact CB-CZ 4.33Å; E776-F878 HydrophobicContact CB-CD2 3.83Å; E776-F878 HydrophobicContact CG-CD2 4.36Å; F878-Q880 HydrophobicContact CD1-CG 3.96Å; F878-Q880 HydrophobicContact CE1-CG 3.36Å; F878-Q880 HydrophobicContact CZ-CG 4.08Å; F878-A890 CarbonylContact O-C 3.59Å; F878-A890 VanDerWaalsContact O-CA 3.32Å; F878-A890 WeakPolarHBondContact O-CA 3.37Å; F878-R891 PolarHBondContact N-O 3.43Å; F878-R891 PolarHBondContact O-N 3.31Å
879	L	98.5	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.9	177.7	175	74.4	0	0	0	109.4	D774 F775 F792 F794 I888 R889 A890	D774-L879 CarbonylContact C-O 3.59Å; D774-L879 VanDerWaalsContact CA-O 3.26Å; D774-L879 WeakPolarHBondContact CA-O 3.23Å; F775-L879 HydrophobicContact CB-CB 4.33Å; F775-L879 HydrophobicContact CB-CD2 4.24Å; F775-L879 PolarHBondContact N-O 2.04Å; F775-L879 WeakPolarHBondContact O-CA 2.98Å; F775-L879 VanDerWaalsContact O-CB 3.28Å; F775-L879 WeakPolarHBondContact O-CB 2.99Å; F775-L879 PolarHBondContact O-N 2.92Å; F792-L879 HydrophobicContact CE2-CB 4.17Å; F792-L879 HydrophobicContact CE2-CD2 4.07Å; F792-L879 HydrophobicContact CE2-CG 4.48Å; F792-L879 HydrophobicContact CZ-CB 4.38Å; F794-L879 HydrophobicContact CB-CD2 3.6Å; F794-L879 HydrophobicContact CD1-CD1 4.15Å; F794-L879 HydrophobicContact CD1-CD2 3.47Å; F794-L879 VanDerWaalsContact CD1-CD2 3.47Å; F794-L879 HydrophobicContact CD1-CG 4.46Å; F794-L879 HydrophobicContact CD2-CD2 3.88Å; F794-L879 HydrophobicContact CE1-CD1 3.84Å; F794-L879 HydrophobicContact CE1-CD2 4.04Å; F794-L879 HydrophobicContact CE2-CD1 4.37Å; F794-L879 HydrophobicContact CE2-CD2 4.4Å; F794-L879 HydrophobicContact CG-CD2 3.37Å; F794-L879 HydrophobicContact CZ-CD1 3.95Å; F794-L879 HydrophobicContact CZ-CD2 4.46Å; L879-I888 HydrophobicContact CD1-CG2 4.18Å; L879-R889 CarbonylContact C-O 3.04Å; L879-R889 WeakPolarHBondContact CA-O 3.41Å; L879-A890 HydrophobicContact CD1-CB 4.22Å
880	Q	97.9	Very high	96.9	Very high	20 Å²	20	26.2 Å²	26.2	9%	0.093	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.9	166.3	-55.4	-175.5	-98.8	0	0	108.1	D774 F878 Y887 I888 R889	D774-Q880 WeakPolarHBondContact OD1-CG 3.16Å; F878-Q880 HydrophobicContact CD1-CG 3.96Å; F878-Q880 HydrophobicContact CE1-CG 3.36Å; F878-Q880 HydrophobicContact CZ-CG 4.08Å; Q880-Y887 HydrophobicContact CB-CE1 3.99Å; Q880-I888 WeakPolarHBondContact O-CA 3.07Å; Q880-R889 PolarHBondContact N-O 3.45Å; Q880-R889 PolarHBondContact O-N 3.37Å
881	H	97.8	Very high	97	Very high	3 Å²	3	24 Å²	24	1%	0.014	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.4	178.4	-173.2	-146.7	0	0	0	110.1	V773 F794 Y803 P883 Y887	V773-H881 HydrophobicContact CG1-CB 4.12Å; V773-H881 PolarHBondContact N-O 2.01Å; V773-H881 PolarHBondContact O-N 3.48Å; F794-H881 HydrophobicContact CD2-CB 4.24Å; F794-H881 AromaticContact CD2-CE1 3.92Å; F794-H881 AromaticContact CD2-CG 3.83Å; F794-H881 AromaticContact CD2-ND1 3.61Å; F794-H881 HydrophobicContact CE2-CB 4.4Å; F794-H881 AromaticContact CE2-CD2 3.94Å; F794-H881 AromaticContact CE2-CG 3.9Å; Y803-H881 AromaticContact CE2-NE2 3.89Å; H881-P883 VanDerWaalsContact CE1-CG 3.45Å; H881-P883 WeakPolarHBondContact CE1-CG 3Å; H881-Y887 CarbonylContact C-O 3.49Å; H881-Y887 WeakPolarHBondContact CA-O 2.86Å; H881-Y887 PolarHBondContact CD2-O 2.84Å
882	R	97.3	Very high	97	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	80.8	174.1	-48.7	-69.2	179.2	-89.7	1.2	110.2	V773 D774 Q884 V885 G886 Y887 N935 N937	V773-R882 PolarHBondContact O-NH1 2.84Å; V773-R882 VanDerWaalsContact O-NH1 3.07Å; D774-R882 IonicContact OD1-CZ 3.85Å; D774-R882 VanDerWaalsContact OD1-CZ 3.26Å; D774-R882 IonicContact OD1-NH1 2.72Å; D774-R882 PolarHBondContact OD1-NH1 2.01Å; D774-R882 IonicContact OD1-NH2 3.21Å; D774-R882 PolarHBondContact OD1-NH2 3.23Å; D774-R882 IonicContact OD2-NH2 3.96Å; D774-R882 PolarHBondContact OD2-NH2 2.03Å; R882-Q884 VanDerWaalsContact C-N 3.26Å; R882-Q884 VanDerWaalsContact CB-OE1 3.28Å; R882-Q884 PolarHBondContact O-N 3.49Å; R882-Q884 PolarHBondContact O-OE1 2.89Å; R882-V885 HydrophobicContact CB-CG2 4.19Å; R882-V885 PolarHBondContact O-N 2.57Å; R882-G886 PolarHBondContact O-N 2.03Å; R882-Y887 HydrophobicContact CG-CD1 4.3Å; R882-Y887 PolarHBondContact N-O 3.44Å; R882-Y887 PolarHBondContact O-N 2.64Å; R882-N935 WeakPolarHBondContact CD-O 3.2Å; R882-N935 PolarHBondContact NE-O 2.02Å; R882-N935 PolarHBondContact NH1-O 3.39Å; R882-N935 PolarHBondContact NH2-ND2 2.69Å; R882-N937 PolarHBondContact NE-O 3.35Å
883	P	95.1	Very high	97.1	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-40.9	-41.2	174.6	-41.4	43.8	0	0	0	117.6	S771 H881 V885 G886 R911 G912	S771-P883 WeakPolarHBondContact O-CB 3.43Å; S771-P883 WeakPolarHBondContact O-CD 3.38Å; S771-P883 WeakPolarHBondContact O-CG 3.01Å; H881-P883 VanDerWaalsContact CE1-CG 3.45Å; H881-P883 WeakPolarHBondContact CE1-CG 3Å; P883-V885 PolarHBondContact O-N 2.96Å; P883-V885 VanDerWaalsContact O-N 3.07Å; P883-G886 PolarHBondContact O-N 2.79Å; P883-R911 VanDerWaalsContact CB-C 3.42Å; P883-R911 HydrophobicContact CB-CB 4.3Å; P883-G912 VanDerWaalsContact CG-N 3.35Å
884	Q	92.6	Very high	97.1	Very high	74 Å²	74	19.4 Å²	19.4	35%	0.346	9%	0.087	S	C	.	.	G	3₁₀ helix	trans	-54.2	-30.9	-178.6	64.4	-83.1	40.8	0	0	113.1	R882 D936 I938	R882-Q884 VanDerWaalsContact C-N 3.26Å; R882-Q884 VanDerWaalsContact CB-OE1 3.28Å; R882-Q884 PolarHBondContact O-N 3.49Å; R882-Q884 PolarHBondContact O-OE1 2.89Å; Q884-D936 PolarHBondContact NE2-O 3.06Å; Q884-I938 HydrophobicContact CG-CD1 4.14Å; Q884-I938 HydrophobicContact CG-CG1 4.34Å
885	V	94.3	Very high	96.7	Very high	33 Å²	33	20.3 Å²	20.3	20%	0.2	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-122.5	4.4	175.6	-65.4	0	0	0	0	113	R882 P883 Y887 I938 Y942	R882-V885 HydrophobicContact CB-CG2 4.19Å; R882-V885 PolarHBondContact O-N 2.57Å; P883-V885 PolarHBondContact O-N 2.96Å; P883-V885 VanDerWaalsContact O-N 3.07Å; V885-Y887 VanDerWaalsContact C-N 3.27Å; V885-Y887 PolarHBondContact O-N 3.22Å; V885-I938 HydrophobicContact CG1-CD1 3.69Å; V885-I938 HydrophobicContact CG2-CD1 3.99Å; V885-I938 HydrophobicContact CG2-CG1 4.18Å; V885-I938 HydrophobicContact CG2-CG2 4.19Å; V885-Y942 HydrophobicContact CB-CE1 4.43Å; V885-Y942 HydrophobicContact CB-CE2 3.97Å; V885-Y942 HydrophobicContact CG1-CE1 4.35Å; V885-Y942 HydrophobicContact CG2-CD2 4.34Å; V885-Y942 HydrophobicContact CG2-CE2 3.99Å
886	G	94.8	Very high	96.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	20.9	-175.7	0	0	0	0	0	115	R882 P883 I888 I906 D907	R882-G886 PolarHBondContact O-N 2.03Å; P883-G886 PolarHBondContact O-N 2.79Å; G886-I888 PolarHBondContact O-N 3.13Å; G886-I906 CarbonylContact O-C 3.59Å; G886-I906 VanDerWaalsContact O-CA 3.29Å; G886-I906 WeakPolarHBondContact O-CA 2.99Å; G886-D907 CarbonylContact C-O 3.55Å; G886-D907 WeakPolarHBondContact CA-O 3.04Å; G886-D907 PolarHBondContact O-N 3.42Å
887	Y	97.6	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	128	-179.3	178.1	-79.7	0	0	0	110.4	Q880 H881 R882 V885 R889 V904 P939 D941 Y942	Q880-Y887 HydrophobicContact CB-CE1 3.99Å; H881-Y887 CarbonylContact C-O 3.49Å; H881-Y887 WeakPolarHBondContact CA-O 2.86Å; H881-Y887 PolarHBondContact CD2-O 2.84Å; R882-Y887 HydrophobicContact CG-CD1 4.3Å; R882-Y887 PolarHBondContact N-O 3.44Å; R882-Y887 PolarHBondContact O-N 2.64Å; V885-Y887 VanDerWaalsContact C-N 3.27Å; V885-Y887 PolarHBondContact O-N 3.22Å; Y887-R889 HydrophobicContact CE1-CB 3.65Å; Y887-R889 WeakPolarHBondContact OH-CD 3.38Å; Y887-V904 HydrophobicContact CD2-CG1 3.64Å; Y887-V904 HydrophobicContact CD2-CG2 4.46Å; Y887-V904 HydrophobicContact CE2-CB 4.23Å; Y887-V904 HydrophobicContact CE2-CG1 3.67Å; Y887-V904 HydrophobicContact CE2-CG2 3.64Å; Y887-P939 HydrophobicContact CD1-CG 4.33Å; Y887-P939 HydrophobicContact CE1-CB 4.41Å; Y887-P939 HydrophobicContact CE1-CG 3.78Å; Y887-P939 HydrophobicContact CE2-CB 4.14Å; Y887-P939 HydrophobicContact CE2-CG 4.27Å; Y887-D941 WeakPolarHBondContact CE2-OD1 3.17Å; Y887-D941 PolarHBondContact OH-OD1 3.47Å; Y887-D941 PolarHBondContact OH-OD2 2.69Å; Y887-D941 VanDerWaalsContact OH-OD2 3.14Å; Y887-Y942 AromaticContact CD2-CD2 4Å; Y887-Y942 HydrophobicContact CD2-CD2 4Å; Y887-Y942 HydrophobicContact CD2-CG 4.47Å
888	I	98.4	Very high	96	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	-132.6	128.7	172.7	-59.7	165.8	0	0	0	108.6	F794 Y803 L830 L860 L879 Q880 G886 I905 D907	F794-I888 HydrophobicContact CE2-CD1 4.11Å; F794-I888 HydrophobicContact CE2-CG1 4.16Å; F794-I888 HydrophobicContact CE2-CG2 4.24Å; F794-I888 HydrophobicContact CZ-CD1 4.22Å; F794-I888 HydrophobicContact CZ-CG1 4.41Å; F794-I888 HydrophobicContact CZ-CG2 3.77Å; Y803-I888 HydrophobicContact CD1-CD1 4.12Å; Y803-I888 HydrophobicContact CE1-CD1 3.78Å; Y803-I888 HydrophobicContact CE2-CD1 4.27Å; L830-I888 HydrophobicContact CD2-CG2 3.82Å; L860-I888 HydrophobicContact CD1-CD1 4.41Å; L879-I888 HydrophobicContact CD1-CG2 4.18Å; Q880-I888 WeakPolarHBondContact O-CA 3.07Å; G886-I888 PolarHBondContact O-N 3.13Å; I888-I905 HydrophobicContact CB-CB 4.21Å; I888-I905 PolarHBondContact N-O 3.05Å; I888-I905 PolarHBondContact O-N 3.16Å; I888-D907 HydrophobicContact CD1-CB 3.96Å
889	R	97.9	Very high	95.9	Very high	45 Å²	45	32.7 Å²	32.7	17%	0.17	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	127.4	169.2	-175.4	166.7	-177.7	-163.4	-0.4	110.7	L879 Q880 Y887 R891 D901 T902 G903 D941	L879-R889 CarbonylContact C-O 3.04Å; L879-R889 WeakPolarHBondContact CA-O 3.41Å; Q880-R889 PolarHBondContact N-O 3.45Å; Q880-R889 PolarHBondContact O-N 3.37Å; Y887-R889 HydrophobicContact CE1-CB 3.65Å; Y887-R889 WeakPolarHBondContact OH-CD 3.38Å; R889-R891 VanDerWaalsContact CZ-NE 3.29Å; R889-D901 IonicContact CZ-OD1 3.42Å; R889-D901 IonicContact CZ-OD2 2.78Å; R889-D901 IonicContact NE-OD1 2.96Å; R889-D901 PolarHBondContact NE-OD1 3.07Å; R889-D901 VanDerWaalsContact NE-OD1 3.07Å; R889-D901 IonicContact NE-OD2 3.56Å; R889-D901 IonicContact NH2-OD1 3.66Å; R889-D901 IonicContact NH2-OD2 2.75Å; R889-D901 PolarHBondContact NH2-OD2 3.3Å; R889-T902 WeakPolarHBondContact CA-OG1 3.42Å; R889-G903 WeakPolarHBondContact CG-O 3.28Å; R889-D941 IonicContact CZ-OD2 2.61Å; R889-D941 IonicContact NH1-OD2 2.76Å; R889-D941 PolarHBondContact NH1-OD2 3.41Å
890	A	97.9	Very high	95.8	Very high	1 Å²	1	33 Å²	33	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.7	174.9	0	0	0	0	0	111	F878 L879 F892 T902	F878-A890 CarbonylContact O-C 3.59Å; F878-A890 VanDerWaalsContact O-CA 3.32Å; F878-A890 WeakPolarHBondContact O-CA 3.37Å; L879-A890 HydrophobicContact CD1-CB 4.22Å; A890-F892 HydrophobicContact CB-CE2 3.77Å; A890-F892 HydrophobicContact CB-CZ 4.13Å; A890-T902 HydrophobicContact CB-CG2 3.87Å; A890-T902 PolarHBondContact N-OG1 3.18Å; A890-T902 WeakPolarHBondContact O-CG2 3.33Å; A890-T902 PolarHBondContact O-N 3.38Å; A890-T902 PolarHBondContact O-OG1 2.88Å
891	R	97.8	Very high	95.8	Very high	48 Å²	48	34.4 Å²	34.4	18%	0.181	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141	178.1	-60.3	-179.7	-162.1	126	10.1	109.5	W877 F878 R889 Y893 L898 A900	W877-R891 CarbonylContact C-O 3.58Å; W877-R891 VanDerWaalsContact CA-O 3.32Å; W877-R891 WeakPolarHBondContact CA-O 3.23Å; F878-R891 PolarHBondContact N-O 3.43Å; F878-R891 PolarHBondContact O-N 3.31Å; R889-R891 VanDerWaalsContact CZ-NE 3.29Å; R891-Y893 HydrophobicContact CB-CE2 3.81Å; R891-L898 HydrophobicContact CB-CD1 3.82Å; R891-L898 HydrophobicContact CG-CD1 4.39Å; R891-A900 WeakPolarHBondContact CA-O 3.37Å
892	F	98.1	Very high	95.8	Very high	9 Å²	9	34.8 Å²	34.8	4%	0.039	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.8	-177.7	-60.3	-98.3	0	0	0	110.5	F792 V805 I828 R876 W877 A890 V899 A900	F792-F892 HydrophobicContact CE1-CE1 4.18Å; F792-F892 HydrophobicContact CE1-CZ 4.34Å; V805-F892 HydrophobicContact CG1-CE1 4Å; V805-F892 HydrophobicContact CG1-CZ 3.53Å; I828-F892 HydrophobicContact CD1-CB 3.99Å; I828-F892 HydrophobicContact CD1-CD1 3.85Å; I828-F892 HydrophobicContact CD1-CD2 3.69Å; I828-F892 HydrophobicContact CD1-CE1 4.29Å; I828-F892 HydrophobicContact CD1-CE2 4.17Å; I828-F892 HydrophobicContact CD1-CG 3.55Å; I828-F892 HydrophobicContact CD1-CZ 4.46Å; I828-F892 HydrophobicContact CG2-CD2 4.43Å; I828-F892 HydrophobicContact CG2-CE1 4.16Å; I828-F892 HydrophobicContact CG2-CE2 3.79Å; I828-F892 HydrophobicContact CG2-CZ 3.65Å; R876-F892 CarbonylContact O-C 3.59Å; R876-F892 VanDerWaalsContact O-CA 3.31Å; R876-F892 WeakPolarHBondContact O-CA 3.44Å; W877-F892 HydrophobicContact CB-CD1 3.79Å; W877-F892 HydrophobicContact CB-CE1 3.64Å; W877-F892 HydrophobicContact CB-CZ 4.37Å; A890-F892 HydrophobicContact CB-CE2 3.77Å; A890-F892 HydrophobicContact CB-CZ 4.13Å; F892-V899 HydrophobicContact CB-CG2 4.02Å; F892-V899 WeakPolarHBondContact O-CG2 3.11Å; F892-V899 PolarHBondContact O-N 2.94Å; F892-A900 HydrophobicContact CB-CB 4.18Å; F892-A900 HydrophobicContact CD2-CB 4.05Å; F892-A900 HydrophobicContact CG-CB 4.48Å; F892-A900 PolarHBondContact N-O 3.28Å; F892-A900 PolarHBondContact O-N 3.28Å
893	Y	97.2	Very high	95.7	Very high	41 Å²	41	36 Å²	36	16%	0.161	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.2	-176	-56.3	-99.7	0	0	0	110.3	I450 Y875 R876 R891 K897 L898	I450-Y893 HydrophobicContact CD1-CD1 4.11Å; I450-Y893 HydrophobicContact CD1-CD2 3.47Å; I450-Y893 VanDerWaalsContact CD1-CD2 3.47Å; I450-Y893 HydrophobicContact CD1-CE1 4.08Å; I450-Y893 HydrophobicContact CD1-CE2 3.43Å; I450-Y893 VanDerWaalsContact CD1-CE2 3.43Å; I450-Y893 HydrophobicContact CD1-CG 3.83Å; I450-Y893 HydrophobicContact CG2-CG 4.19Å; Y875-Y893 CarbonylContact C-O 3.47Å; Y875-Y893 WeakPolarHBondContact CA-O 3.47Å; Y875-Y893 WeakPolarHBondContact CB-O 3.48Å; R876-Y893 HydrophobicContact CB-CD2 4.39Å; R876-Y893 PolarHBondContact N-O 3.24Å; R876-Y893 PolarHBondContact O-N 2.9Å; R891-Y893 HydrophobicContact CB-CE2 3.81Å; Y893-K897 CarbonylContact C-O 3.52Å; Y893-K897 VanDerWaalsContact CA-O 3.26Å; Y893-K897 WeakPolarHBondContact CA-O 3.26Å; Y893-L898 HydrophobicContact CD1-CB 3.96Å; Y893-L898 HydrophobicContact CD1-CD1 4.11Å; Y893-L898 HydrophobicContact CD2-CD1 4.49Å; Y893-L898 HydrophobicContact CE1-CB 3.79Å; Y893-L898 HydrophobicContact CE1-CD1 3.64Å; Y893-L898 HydrophobicContact CE1-CG 4.3Å; Y893-L898 HydrophobicContact CE2-CD1 4.07Å
894	E	95.4	Very high	95.7	Very high	64 Å²	64	37.7 Å²	37.7	30%	0.299	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	108.8	167.9	-177.7	-176.6	176.9	0	0	106.9	K870 V873 Y875 S896 K897 V899	K870-E894 IonicContact NZ-OE1 3.63Å; K870-E894 PolarHBondContact NZ-OE1 2.86Å; K870-E894 IonicContact NZ-OE2 2.6Å; K870-E894 PolarHBondContact NZ-OE2 3.02Å; V873-E894 HydrophobicContact CG1-CG 4.08Å; Y875-E894 HydrophobicContact CD1-CB 3.84Å; Y875-E894 HydrophobicContact CD1-CG 4.18Å; Y875-E894 HydrophobicContact CE1-CB 3.75Å; Y875-E894 HydrophobicContact CE1-CG 3.71Å; E894-S896 PolarHBondContact O-N 2.9Å; E894-K897 PolarHBondContact N-O 2.99Å; E894-K897 PolarHBondContact O-N 3.21Å; E894-K897 VanDerWaalsContact O-N 3.16Å; E894-V899 HydrophobicContact CB-CG1 3.59Å; E894-V899 HydrophobicContact CB-CG2 4.39Å
895	G	89.5	Confident	95.9	Very high	25 Å²	25	35.6 Å²	35.6	26%	0.258	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-130.7	-159.7	0	0	0	0	0	110.4	K897	G895-K897 VanDerWaalsContact C-N 3.33Å; G895-K897 PolarHBondContact O-N 2.8Å
896	S	90.2	Very high	96	Very high	80 Å²	80	37.9 Å²	37.9	56%	0.559	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-1.7	177.3	57.4	0	0	0	0	115	I450 E894	I450-S896 VanDerWaalsContact O-CA 3.27Å; I450-S896 WeakPolarHBondContact O-CA 3.11Å; I450-S896 WeakPolarHBondContact O-CB 3.36Å; E894-S896 PolarHBondContact O-N 2.9Å
897	K	94.2	Very high	96.1	Very high	146 Å²	146	38.4 Å²	38.4	64%	0.635	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96	120.8	-173	-176.4	-175.1	174.6	-170.5	0	111	Y893 E894 G895 V899	Y893-K897 CarbonylContact C-O 3.52Å; Y893-K897 VanDerWaalsContact CA-O 3.26Å; Y893-K897 WeakPolarHBondContact CA-O 3.26Å; E894-K897 PolarHBondContact N-O 2.99Å; E894-K897 PolarHBondContact O-N 3.21Å; E894-K897 VanDerWaalsContact O-N 3.16Å; G895-K897 VanDerWaalsContact C-N 3.33Å; G895-K897 PolarHBondContact O-N 2.8Å; K897-V899 PolarHBondContact O-N 3.23Å; K897-V899 VanDerWaalsContact O-N 3.14Å
898	L	95.6	Very high	96	Very high	77 Å²	77	42 Å²	42	40%	0.403	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	116.8	167.3	-175.4	71.9	0	0	0	109.9	R891 Y893 A900 D901	R891-L898 HydrophobicContact CB-CD1 3.82Å; R891-L898 HydrophobicContact CG-CD1 4.39Å; Y893-L898 HydrophobicContact CD1-CB 3.96Å; Y893-L898 HydrophobicContact CD1-CD1 4.11Å; Y893-L898 HydrophobicContact CD2-CD1 4.49Å; Y893-L898 HydrophobicContact CE1-CB 3.79Å; Y893-L898 HydrophobicContact CE1-CD1 3.64Å; Y893-L898 HydrophobicContact CE1-CG 4.3Å; Y893-L898 HydrophobicContact CE2-CD1 4.07Å; L898-A900 WeakPolarHBondContact CD1-O 3.49Å; L898-D901 HydrophobicContact CD2-CB 4.42Å
899	V	96.2	Very high	95.9	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.115	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-42.8	179.2	-72.6	0	0	0	0	111.3	R865 F892 E894 K897	R865-V899 VanDerWaalsContact CZ-C 3.49Å; R865-V899 PolarHBondContact NE-O 3.15Å; R865-V899 PolarHBondContact NH1-O 3.11Å; R865-V899 PolarHBondContact NH2-O 2.9Å; F892-V899 HydrophobicContact CB-CG2 4.02Å; F892-V899 WeakPolarHBondContact O-CG2 3.11Å; F892-V899 PolarHBondContact O-N 2.94Å; E894-V899 HydrophobicContact CB-CG1 3.59Å; E894-V899 HydrophobicContact CB-CG2 4.39Å; K897-V899 PolarHBondContact O-N 3.23Å; K897-V899 VanDerWaalsContact O-N 3.14Å
900	A	96.8	Very high	95.7	Very high	6 Å²	6	41.7 Å²	41.7	5%	0.05	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.5	178.8	0	0	0	0	0	111.5	I828 W861 R891 F892 L898	I828-A900 HydrophobicContact CD1-CB 3.71Å; W861-A900 HydrophobicContact CH2-CB 4.18Å; R891-A900 WeakPolarHBondContact CA-O 3.37Å; F892-A900 HydrophobicContact CB-CB 4.18Å; F892-A900 HydrophobicContact CD2-CB 4.05Å; F892-A900 HydrophobicContact CG-CB 4.48Å; F892-A900 PolarHBondContact N-O 3.28Å; F892-A900 PolarHBondContact O-N 3.28Å; L898-A900 WeakPolarHBondContact CD1-O 3.49Å
901	D	97.3	Very high	95.6	Very high	49 Å²	49	45.4 Å²	45.4	26%	0.262	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	127.1	173.9	-172.9	-15.3	0	0	0	106.7	R889 L898 G903	R889-D901 IonicContact CZ-OD1 3.42Å; R889-D901 IonicContact CZ-OD2 2.78Å; R889-D901 IonicContact NE-OD1 2.96Å; R889-D901 PolarHBondContact NE-OD1 3.07Å; R889-D901 VanDerWaalsContact NE-OD1 3.07Å; R889-D901 IonicContact NE-OD2 3.56Å; R889-D901 IonicContact NH2-OD1 3.66Å; R889-D901 IonicContact NH2-OD2 2.75Å; R889-D901 PolarHBondContact NH2-OD2 3.3Å; L898-D901 HydrophobicContact CD2-CB 4.42Å; D901-G903 PolarHBondContact O-N 3.08Å; D901-G903 PolarHBondContact OD1-N 2.62Å
902	T	96.9	Very high	95.5	Very high	11 Å²	11	43.1 Å²	43.1	7%	0.067	24%	0.238	C	C	.	.			trans	-67.1	-22.5	177.3	56.7	0	0	0	0	112.1	W861 R889 A890	W861-T902 HydrophobicContact CD2-CG2 3.76Å; W861-T902 HydrophobicContact CE3-CG2 3.74Å; W861-T902 HydrophobicContact CG-CG2 4.2Å; W861-T902 HydrophobicContact CH2-CG2 4.36Å; W861-T902 HydrophobicContact CZ2-CG2 4.4Å; W861-T902 HydrophobicContact CZ3-CG2 4.05Å; W861-T902 PolarHBondContact NE1-O 3.4Å; R889-T902 WeakPolarHBondContact CA-OG1 3.42Å; A890-T902 HydrophobicContact CB-CG2 3.87Å; A890-T902 PolarHBondContact N-OG1 3.18Å; A890-T902 WeakPolarHBondContact O-CG2 3.33Å; A890-T902 PolarHBondContact O-N 3.38Å; A890-T902 PolarHBondContact O-OG1 2.88Å
903	G	95.6	Very high	95.5	Very high	28 Å²	28	43 Å²	43	29%	0.289	24%	0.24	S	C	.	.			trans	67.4	-171.5	-155.8	0	0	0	0	0	110.6	R889 D901 I905	R889-G903 WeakPolarHBondContact CG-O 3.28Å; D901-G903 PolarHBondContact O-N 3.08Å; D901-G903 PolarHBondContact OD1-N 2.62Å; G903-I905 PolarHBondContact O-N 3.24Å
904	V	96.1	Very high	95.5	Very high	35 Å²	35	41.8 Å²	41.8	21%	0.212	24%	0.235	C	C	.	.			trans	-76.2	122.1	174.1	-179.1	0	0	0	0	109	Y887 I906 V945	Y887-V904 HydrophobicContact CD2-CG1 3.64Å; Y887-V904 HydrophobicContact CD2-CG2 4.46Å; Y887-V904 HydrophobicContact CE2-CB 4.23Å; Y887-V904 HydrophobicContact CE2-CG1 3.67Å; Y887-V904 HydrophobicContact CE2-CG2 3.64Å; V904-I906 HydrophobicContact CG1-CD1 3.71Å; V904-I906 HydrophobicContact CG1-CG1 4.37Å; V904-V945 HydrophobicContact CB-CG2 4.08Å; V904-V945 HydrophobicContact CG1-CG2 4.33Å; V904-V945 HydrophobicContact CG2-CG2 4.21Å
905	I	96.4	Very high	95.6	Very high	30 Å²	30	38.9 Å²	38.9	15%	0.154	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.8	170.8	-59.8	-62	0	0	0	107.2	L830 L860 W861 I888 G903	L830-I905 HydrophobicContact CD2-CG1 4.36Å; L830-I905 HydrophobicContact CD2-CG2 4.49Å; L860-I905 HydrophobicContact CB-CG2 4.23Å; L860-I905 HydrophobicContact CD1-CG2 4.33Å; W861-I905 HydrophobicContact CB-CD1 4.11Å; W861-I905 HydrophobicContact CB-CG1 4.43Å; I888-I905 HydrophobicContact CB-CB 4.21Å; I888-I905 PolarHBondContact N-O 3.05Å; I888-I905 PolarHBondContact O-N 3.16Å; G903-I905 PolarHBondContact O-N 3.24Å
906	I	96.3	Very high	96.1	Very high	81 Å²	81	37.7 Å²	37.7	42%	0.415	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.8	175.5	-54.9	-56.4	0	0	0	108.9	G886 V904 Y942	G886-I906 CarbonylContact O-C 3.59Å; G886-I906 VanDerWaalsContact O-CA 3.29Å; G886-I906 WeakPolarHBondContact O-CA 2.99Å; V904-I906 HydrophobicContact CG1-CD1 3.71Å; V904-I906 HydrophobicContact CG1-CG1 4.37Å; I906-Y942 HydrophobicContact CD1-CD2 3.93Å; I906-Y942 HydrophobicContact CD1-CE2 3.7Å
907	D	96.7	Very high	96.5	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.064	18%	0.183	C	C	.	.			trans	-150.1	133.6	177	-159.2	-88.9	0	0	0	110.5	Y803 R858 L860 G886 I888 S909	Y803-D907 HydrophobicContact CE1-CB 4.15Å; Y803-D907 WeakPolarHBondContact CE1-OD1 3.36Å; Y803-D907 PolarHBondContact OH-O 3.27Å; Y803-D907 PolarHBondContact OH-OD1 2.78Å; R858-D907 IonicContact CZ-OD2 3.64Å; R858-D907 IonicContact NH1-OD2 3.62Å; R858-D907 PolarHBondContact NH1-OD2 2.89Å; R858-D907 IonicContact NH2-OD1 3.88Å; R858-D907 IonicContact NH2-OD2 2.83Å; R858-D907 PolarHBondContact NH2-OD2 3.15Å; L860-D907 HydrophobicContact CD1-CB 4.13Å; L860-D907 WeakPolarHBondContact CD2-OD2 3.49Å; G886-D907 CarbonylContact C-O 3.55Å; G886-D907 WeakPolarHBondContact CA-O 3.04Å; G886-D907 PolarHBondContact O-N 3.42Å; I888-D907 HydrophobicContact CD1-CB 3.96Å; D907-S909 WeakPolarHBondContact OD1-CB 3.32Å; D907-S909 PolarHBondContact OD1-N 3.07Å; D907-S909 VanDerWaalsContact OD1-N 3.16Å; D907-S909 PolarHBondContact OD1-OG 3.45Å
908	T	95.6	Very high	96.6	Very high	74 Å²	74	26.9 Å²	26.9	45%	0.454	15%	0.152	S	C	.	.			trans	-120.8	25.3	-175.9	65.8	0	0	0	0	112	M910	T908-M910 VanDerWaalsContact C-N 3.35Å
909	S	95.4	Very high	96.7	Very high	39 Å²	39	23.2 Å²	23.2	27%	0.273	13%	0.133	S	C	.	.	S	Bend	trans	-70.8	-32.7	-175.3	-53	0	0	0	0	112.5	Y803 R858 D907	Y803-S909 PolarHBondContact OH-N 2.91Å; R858-S909 PolarHBondContact NH2-OG 3.25Å; D907-S909 WeakPolarHBondContact OD1-CB 3.32Å; D907-S909 PolarHBondContact OD1-N 3.07Å; D907-S909 VanDerWaalsContact OD1-N 3.16Å; D907-S909 PolarHBondContact OD1-OG 3.45Å
910	M	95.4	Very high	96.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-130	129.8	171.4	-65.6	71.7	70.1	0	0	107	Q797 F802 Y803 V832 K834 T908	Q797-M910 HydrophobicContact CG-CG 4.39Å; F802-M910 WeakPolarHBondContact O-CE 3.11Å; Y803-M910 HydrophobicContact CD1-CE 3.56Å; Y803-M910 HydrophobicContact CD2-CB 4.29Å; Y803-M910 HydrophobicContact CD2-CE 3.31Å; Y803-M910 HydrophobicContact CE1-CE 3.54Å; Y803-M910 HydrophobicContact CE2-CB 3.72Å; Y803-M910 HydrophobicContact CE2-CE 3.31Å; Y803-M910 HydrophobicContact CE2-CG 4.48Å; Y803-M910 HydrophobicContact CE2-SD 4.37Å; Y803-M910 HydrophobicContact CG-CE 3.43Å; Y803-M910 VanDerWaalsContact CG-CE 3.43Å; Y803-M910 VanDerWaalsContact CZ-CE 3.4Å; Y803-M910 VanDerWaalsContact N-CE 3.35Å; Y803-M910 PolarHBondContact OH-N 2.79Å; V832-M910 HydrophobicContact CB-CE 4.32Å; V832-M910 HydrophobicContact CG2-CE 3.46Å; V832-M910 VanDerWaalsContact CG2-CE 3.46Å; V832-M910 HydrophobicContact CG2-SD 3.84Å; K834-M910 HydrophobicContact CD-SD 4.11Å; T908-M910 VanDerWaalsContact C-N 3.35Å
911	R	95.7	Very high	96.5	Very high	79 Å²	79	22.4 Å²	22.4	30%	0.298	13%	0.128	S	C	.	.			trans	-107.7	54.8	-172.7	-68.8	169.2	155.7	-150.1	-9.7	111.5	D630 G631 I645 S647 P883	D630-R911 WeakPolarHBondContact O-CD 3.44Å; D630-R911 PolarHBondContact O-NH1 2.91Å; G631-R911 WeakPolarHBondContact O-CB 3.44Å; G631-R911 PolarHBondContact O-N 3.08Å; I645-R911 HydrophobicContact CD1-CB 4.05Å; I645-R911 HydrophobicContact CD1-CG 4.19Å; I645-R911 HydrophobicContact CG1-CB 4.18Å; I645-R911 HydrophobicContact CG2-CB 3.74Å; I645-R911 WeakPolarHBondContact CG2-O 3.24Å; S647-R911 PolarHBondContact OG-O 3.07Å; P883-R911 VanDerWaalsContact CB-C 3.42Å; P883-R911 HydrophobicContact CB-CB 4.3Å
912	G	95.3	Very high	96.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	113.4	-168.5	-176.2	0	0	0	0	0	110.2	S647 F770 G795 P883	S647-G912 VanDerWaalsContact OG-C 3.28Å; S647-G912 VanDerWaalsContact OG-CA 3.23Å; S647-G912 WeakPolarHBondContact OG-CA 3.47Å; F770-G912 VanDerWaalsContact O-CA 3.24Å; F770-G912 WeakPolarHBondContact O-CA 3.49Å; G795-G912 CarbonylContact C-O 3.34Å; G795-G912 WeakPolarHBondContact CA-O 3.45Å; P883-G912 VanDerWaalsContact CG-N 3.35Å
913	G	96.8	Very high	96.3	Very high	7 Å²	7	22 Å²	22	7%	0.072	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.4	-160.2	179.3	0	0	0	0	0	112.7	S647 F770 Y796	S647-G913 PolarHBondContact OG-N 2.82Å; F770-G913 PolarHBondContact N-O 3.35Å; F770-G913 PolarHBondContact O-N 2.78Å; Y796-G913 WeakPolarHBondContact O-CA 3.48Å
914	R	98.2	Very high	96.3	Very high	16 Å²	16	23.4 Å²	23.4	6%	0.06	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	162.1	-169.4	-59.3	-175.7	-72.9	152.9	-13.5	113	Q728 V765 G766 Y767 A769 F794 G795 Y796	Q728-R914 VanDerWaalsContact OE1-CZ 3.26Å; V765-R914 HydrophobicContact CG1-CB 3.7Å; G766-R914 WeakPolarHBondContact O-CD 3.44Å; Y767-R914 WeakPolarHBondContact O-CD 3.44Å; A769-R914 HydrophobicContact CB-CG 3.86Å; F794-R914 CarbonylContact C-O 3.39Å; G795-R914 PolarHBondContact N-O 3.02Å; G795-R914 VanDerWaalsContact N-O 3.11Å; Y796-R914 PolarHBondContact N-O 3.2Å; Y796-R914 PolarHBondContact O-N 3.12Å
915	L	98.5	Very high	96.4	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	157.3	177.6	-62.7	-178.7	0	0	0	111.2	F724 V765 G766 F770 V773 F775 F794 Y932	F724-L915 HydrophobicContact CE1-CB 4.33Å; F724-L915 HydrophobicContact CZ-CB 4.1Å; V765-L915 CarbonylContact C-O 3.57Å; V765-L915 WeakPolarHBondContact CA-O 3.4Å; V765-L915 WeakPolarHBondContact CG1-O 3.21Å; G766-L915 PolarHBondContact N-O 3.1Å; F770-L915 HydrophobicContact CD2-CD1 4.07Å; F770-L915 HydrophobicContact CD2-CG 3.9Å; F770-L915 HydrophobicContact CE2-CD1 3.77Å; F770-L915 HydrophobicContact CE2-CG 3.89Å; F770-L915 HydrophobicContact CZ-CD1 4.34Å; V773-L915 HydrophobicContact CG1-CD2 4.21Å; V773-L915 HydrophobicContact CG2-CD1 3.96Å; F775-L915 HydrophobicContact CB-CD1 4.04Å; F775-L915 HydrophobicContact CB-CD2 4.4Å; F775-L915 HydrophobicContact CD1-CD1 4.34Å; F775-L915 HydrophobicContact CD1-CD2 4.19Å; F775-L915 HydrophobicContact CD2-CD1 3.94Å; F775-L915 HydrophobicContact CE2-CD1 4.49Å; F775-L915 HydrophobicContact CG-CD1 3.86Å; F775-L915 HydrophobicContact CG-CD2 4.37Å; F794-L915 HydrophobicContact CB-CD2 3.58Å; L915-Y932 HydrophobicContact CD1-CD1 3.93Å; L915-Y932 HydrophobicContact CD1-CG 4.02Å
916	G	98.1	Very high	96.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	-179.5	176.5	0	0	0	0	0	114.5	A764 F792 I793	A764-G916 CarbonylContact O-C 3.46Å; A764-G916 WeakPolarHBondContact O-CA 3.44Å; F792-G916 WeakPolarHBondContact CA-O 3.27Å; F792-G916 WeakPolarHBondContact CB-O 3.15Å; I793-G916 PolarHBondContact N-O 3.24Å; I793-G916 PolarHBondContact O-N 2.76Å
917	V	98.6	Very high	96.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	153.5	175.9	-63.7	0	0	0	0	111.1	W744 I753 L763 A764 W927	W744-V917 HydrophobicContact CE3-CG2 4.17Å; W744-V917 HydrophobicContact CH2-CG2 4.13Å; W744-V917 HydrophobicContact CZ3-CG2 3.64Å; I753-V917 HydrophobicContact CD1-CG1 4.22Å; I753-V917 HydrophobicContact CD1-CG2 3.92Å; I753-V917 HydrophobicContact CG2-CG2 4.16Å; L763-V917 WeakPolarHBondContact CA-O 3.45Å; A764-V917 HydrophobicContact CB-CG2 3.85Å; A764-V917 PolarHBondContact N-O 3.13Å; A764-V917 VanDerWaalsContact N-O 3.13Å; A764-V917 PolarHBondContact O-N 3.18Å; V917-W927 HydrophobicContact CB-CD2 3.82Å; V917-W927 HydrophobicContact CB-CE3 4.27Å; V917-W927 HydrophobicContact CB-CG 4.11Å; V917-W927 HydrophobicContact CB-CZ2 4.1Å; V917-W927 HydrophobicContact CG1-CB 3.94Å; V917-W927 HydrophobicContact CG1-CD2 3.76Å; V917-W927 HydrophobicContact CG1-CE3 4.42Å; V917-W927 HydrophobicContact CG1-CG 3.51Å; V917-W927 HydrophobicContact CG2-CD2 4.29Å; V917-W927 HydrophobicContact CG2-CE3 4.25Å; V917-W927 HydrophobicContact CG2-CZ3 4.42Å
918	F	98.3	Very high	96.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.7	-174.8	166	-104.4	0	0	0	111.3	L732 P761 L763 A790 G791 I793 V804 M806 F920 W927	L732-F918 HydrophobicContact CD1-CD2 4.49Å; L732-F918 HydrophobicContact CD1-CE2 4.2Å; P761-F918 HydrophobicContact CB-CE2 4.45Å; L763-F918 HydrophobicContact CD2-CB 3.8Å; L763-F918 HydrophobicContact CD2-CD2 3.51Å; L763-F918 HydrophobicContact CD2-CG 4.11Å; A790-F918 CarbonylContact C-O 3.5Å; A790-F918 WeakPolarHBondContact CA-O 3.31Å; G791-F918 PolarHBondContact N-O 3.35Å; G791-F918 PolarHBondContact O-N 3.32Å; I793-F918 HydrophobicContact CG2-CB 4.1Å; V804-F918 HydrophobicContact CG2-CB 4.36Å; V804-F918 HydrophobicContact CG2-CD1 3.94Å; V804-F918 HydrophobicContact CG2-CE1 4.39Å; V804-F918 HydrophobicContact CG2-CG 4.05Å; M806-F918 HydrophobicContact CB-CD1 4.12Å; M806-F918 HydrophobicContact CB-CE1 3.87Å; M806-F918 HydrophobicContact CE-CD1 4.49Å; M806-F918 HydrophobicContact CE-CE1 3.74Å; M806-F918 HydrophobicContact CE-CZ 3.92Å; F918-F920 HydrophobicContact CE1-CB 4.21Å; F918-F920 HydrophobicContact CE2-CB 4.15Å; F918-F920 HydrophobicContact CZ-CB 3.61Å; F918-F920 HydrophobicContact CZ-CD2 4.23Å; F918-F920 HydrophobicContact CZ-CG 4.41Å; F918-W927 WeakPolarHBondContact O-CZ2 3.45Å
919	C	96.6	Very high	96.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.1	169.7	70.4	0	0	0	0	110.7	W744 Q755 P761 G762 I925 W927	W744-C919 HydrophobicContact CH2-CB 4.14Å; W744-C919 VanDerWaalsContact CH2-SG 3.53Å; Q755-C919 HydrophobicContact CG-CB 4.41Å; P761-C919 WeakPolarHBondContact CA-O 3.47Å; G762-C919 PolarHBondContact N-O 2.87Å; G762-C919 VanDerWaalsContact N-O 3.08Å; G762-C919 PolarHBondContact O-N 3.22Å; G762-C919 VanDerWaalsContact O-N 3.17Å; C919-I925 HydrophobicContact CB-CD1 3.64Å; C919-W927 HydrophobicContact CB-CH2 4.18Å
920	F	96.1	Very high	96.9	Very high	1 Å²	1	12.6 Å²	12.6	0%	0.004	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	106.1	169.8	-176.1	10.3	0	0	0	109.9	P761 Y789 Y814 R844 W848 F918 Q922	P761-F920 HydrophobicContact CB-CB 4.01Å; P761-F920 HydrophobicContact CB-CD1 3.63Å; P761-F920 HydrophobicContact CB-CD2 3.92Å; P761-F920 HydrophobicContact CB-CE1 4Å; P761-F920 HydrophobicContact CB-CE2 4.21Å; P761-F920 HydrophobicContact CB-CG 3.62Å; P761-F920 HydrophobicContact CB-CZ 4.27Å; P761-F920 HydrophobicContact CG-CD1 3.97Å; P761-F920 HydrophobicContact CG-CE1 3.84Å; P761-F920 HydrophobicContact CG-CE2 4.38Å; P761-F920 HydrophobicContact CG-CG 4.37Å; P761-F920 HydrophobicContact CG-CZ 4.05Å; Y789-F920 PolarHBondContact N-O 2.78Å; Y789-F920 PolarHBondContact O-N 3.44Å; Y814-F920 HydrophobicContact CE2-CE1 4.04Å; Y814-F920 AromaticContact CE2-CZ 3.83Å; Y814-F920 HydrophobicContact CE2-CZ 3.83Å; R844-F920 HydrophobicContact CG-CE1 4.31Å; R844-F920 HydrophobicContact CG-CE2 4.2Å; R844-F920 HydrophobicContact CG-CZ 3.51Å; W848-F920 HydrophobicContact CB-CE2 3.94Å; W848-F920 HydrophobicContact CD2-CE2 4.43Å; W848-F920 HydrophobicContact CE3-CD1 4.45Å; W848-F920 AromaticContact CE3-CD2 3.93Å; W848-F920 HydrophobicContact CE3-CD2 3.93Å; W848-F920 HydrophobicContact CE3-CE1 4.09Å; W848-F920 AromaticContact CE3-CE2 3.59Å; W848-F920 HydrophobicContact CE3-CE2 3.59Å; W848-F920 HydrophobicContact CE3-CG 4.36Å; W848-F920 AromaticContact CE3-CZ 3.65Å; W848-F920 HydrophobicContact CE3-CZ 3.65Å; W848-F920 HydrophobicContact CZ3-CD1 4.47Å; W848-F920 HydrophobicContact CZ3-CE1 4.28Å; W848-F920 HydrophobicContact CZ3-CE2 4.48Å; W848-F920 HydrophobicContact CZ3-CZ 4.29Å; F918-F920 HydrophobicContact CE1-CB 4.21Å; F918-F920 HydrophobicContact CE2-CB 4.15Å; F918-F920 HydrophobicContact CZ-CB 3.61Å; F918-F920 HydrophobicContact CZ-CD2 4.23Å; F918-F920 HydrophobicContact CZ-CG 4.41Å; F920-Q922 VanDerWaalsContact C-N 3.3Å; F920-Q922 PolarHBondContact O-N 2.69Å
921	S	93.5	Very high	96.9	Very high	7 Å²	7	16.2 Å²	16.2	5%	0.049	8%	0.076	C	C	.	.	S	Bend	trans	65.3	24.9	176.6	-166.9	0	0	0	0	114.6	N758 S759 D788	N758-S921 WeakPolarHBondContact OD1-CA 3.39Å; N758-S921 PolarHBondContact OD1-O 3.07Å; N758-S921 VanDerWaalsContact OD1-O 3.11Å; N758-S921 PolarHBondContact OD1-OG 3.3Å; S759-S921 VanDerWaalsContact O-CA 3.32Å; S759-S921 WeakPolarHBondContact O-CA 3.5Å; S759-S921 PolarHBondContact O-N 2.9Å; D788-S921 WeakPolarHBondContact CB-O 3.37Å; D788-S921 WeakPolarHBondContact OD2-CB 3.46Å; D788-S921 PolarHBondContact OD2-OG 2.99Å
922	Q	95.6	Very high	97	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.			trans	-129	132.3	178.9	177.2	64.6	60.7	0	0	110.2	Q755 V781 T785 D788 W869 F920 I925	Q755-Q922 PolarHBondContact OE1-O 3.22Å; Q755-Q922 VanDerWaalsContact OE1-O 3.1Å; V781-Q922 HydrophobicContact CG1-CG 4.47Å; T785-Q922 PolarHBondContact O-NE2 3.36Å; D788-Q922 HydrophobicContact CB-CB 4.03Å; W869-Q922 HydrophobicContact CZ2-CG 4.47Å; F920-Q922 VanDerWaalsContact C-N 3.3Å; F920-Q922 PolarHBondContact O-N 2.69Å; Q922-I925 HydrophobicContact CB-CD1 3.98Å; Q922-I925 HydrophobicContact CB-CG1 4.36Å; Q922-I925 HydrophobicContact CG-CD1 3.87Å; Q922-I925 HydrophobicContact CG-CG1 3.69Å; Q922-I925 WeakPolarHBondContact O-CD1 3.4Å
923	E	94.4	Very high	97	Very high	52 Å²	52	16.7 Å²	16.7	24%	0.243	8%	0.078	C	C	.	.			trans	-102.2	163.5	178.9	69.5	-170.4	168.7	0	0	112.4	N758 T783 T785 I925	N758-E923 HydrophobicContact CB-CB 4.28Å; T783-E923 HydrophobicContact CG2-CG 4.29Å; T785-E923 WeakPolarHBondContact CB-OE1 3.28Å; T785-E923 PolarHBondContact OG1-OE1 2.87Å; E923-I925 PolarHBondContact O-N 3.15Å
924	N	95.5	Very high	96.9	Very high	57 Å²	57	17.9 Å²	17.9	31%	0.305	9%	0.085	S	C	.	.	S	Bend	trans	55	46.2	175.8	-64	-49.7	0	0	0	113.6	Q755 N782 T783	Q755-N924 CarbonylContact O-C 3.53Å; Q755-N924 WeakPolarHBondContact O-CA 3.44Å; Q755-N924 PolarHBondContact O-N 3.48Å; N782-N924 PolarHBondContact N-O 3.09Å; T783-N924 HydrophobicContact CG2-CB 4.01Å
925	I	98.1	Very high	96.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.2	174.7	-49.8	157.6	0	0	0	108.6	V754 Q755 F779 A790 C919 Q922 E923 W927	V754-I925 CarbonylContact C-O 3.54Å; V754-I925 VanDerWaalsContact CA-O 3.31Å; V754-I925 WeakPolarHBondContact CA-O 3.43Å; Q755-I925 PolarHBondContact N-O 3.48Å; Q755-I925 PolarHBondContact O-N 2.04Å; F779-I925 HydrophobicContact CD2-CG2 4.18Å; F779-I925 HydrophobicContact CE2-CG2 3.82Å; A790-I925 HydrophobicContact CB-CD1 3.61Å; A790-I925 HydrophobicContact CB-CG1 4.08Å; A790-I925 HydrophobicContact CB-CG2 4.03Å; C919-I925 HydrophobicContact CB-CD1 3.64Å; Q922-I925 HydrophobicContact CB-CD1 3.98Å; Q922-I925 HydrophobicContact CB-CG1 4.36Å; Q922-I925 HydrophobicContact CG-CD1 3.87Å; Q922-I925 HydrophobicContact CG-CG1 3.69Å; Q922-I925 WeakPolarHBondContact O-CD1 3.4Å; E923-I925 PolarHBondContact O-N 3.15Å; I925-W927 HydrophobicContact CB-CE3 4.34Å; I925-W927 HydrophobicContact CB-CH2 3.53Å; I925-W927 HydrophobicContact CB-CZ2 4.05Å; I925-W927 HydrophobicContact CB-CZ3 3.69Å; I925-W927 HydrophobicContact CD1-CH2 3.62Å; I925-W927 HydrophobicContact CD1-CZ2 4.04Å; I925-W927 HydrophobicContact CG1-CH2 4.21Å; I925-W927 HydrophobicContact CG2-CD2 3.92Å; I925-W927 HydrophobicContact CG2-CE3 3.94Å; I925-W927 HydrophobicContact CG2-CH2 3.42Å; I925-W927 VanDerWaalsContact CG2-CH2 3.42Å; I925-W927 HydrophobicContact CG2-CZ2 3.4Å; I925-W927 VanDerWaalsContact CG2-CZ2 3.4Å; I925-W927 HydrophobicContact CG2-CZ3 3.68Å
926	I	98.4	Very high	96.3	Very high	9 Å²	9	22.6 Å²	22.6	5%	0.046	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.4	175.2	-52.9	175.9	0	0	0	107.7	V488 P489 E752 V754 H780 N782	V488-I926 HydrophobicContact CG1-CD1 3.95Å; P489-I926 HydrophobicContact CB-CG2 4.3Å; E752-I926 HydrophobicContact CG-CG2 4.33Å; V754-I926 HydrophobicContact CG1-CG1 4.3Å; V754-I926 HydrophobicContact CG2-CG1 4.2Å; V754-I926 HydrophobicContact CG2-CG2 4.26Å; H780-I926 HydrophobicContact CB-CB 4.36Å; H780-I926 PolarHBondContact N-O 2.04Å; H780-I926 PolarHBondContact O-N 3.45Å; N782-I926 HydrophobicContact CB-CD1 3.87Å; N782-I926 HydrophobicContact CB-CG1 4.5Å
927	W	98.6	Very high	95.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	95.4	164.4	-61	-96.5	0	0	0	107.3	W744 E752 I753 Q755 T778 A790 G791 W877 V917 F918 C919 I925 L930	W744-W927 HydrophobicContact CE3-CZ3 4.31Å; W744-W927 HydrophobicContact CH2-CH2 4.36Å; W744-W927 AromaticContact CZ3-CH2 3.69Å; W744-W927 HydrophobicContact CZ3-CH2 3.69Å; W744-W927 AromaticContact CZ3-CZ3 3.67Å; W744-W927 HydrophobicContact CZ3-CZ3 3.67Å; E752-W927 CarbonylContact C-O 3.54Å; E752-W927 VanDerWaalsContact CA-O 3.3Å; E752-W927 WeakPolarHBondContact CA-O 3Å; I753-W927 HydrophobicContact CB-CE3 4.33Å; I753-W927 HydrophobicContact CG2-CE3 4.28Å; I753-W927 PolarHBondContact N-O 2.88Å; I753-W927 PolarHBondContact O-N 3.33Å; Q755-W927 HydrophobicContact CB-CH2 3.88Å; Q755-W927 HydrophobicContact CB-CZ3 3.54Å; T778-W927 CarbonylContact O-C 3.56Å; T778-W927 VanDerWaalsContact O-CA 3.27Å; T778-W927 WeakPolarHBondContact O-CA 3.49Å; A790-W927 HydrophobicContact CB-CZ2 4.43Å; G791-W927 PolarHBondContact O-NE1 3.13Å; W877-W927 HydrophobicContact CH2-CB 4.1Å; W877-W927 AromaticContact CH2-CD1 3.46Å; W877-W927 VanDerWaalsContact CH2-CD1 3.46Å; W877-W927 HydrophobicContact CH2-CG 4.16Å; W877-W927 AromaticContact CZ3-CD1 3.75Å; V917-W927 HydrophobicContact CB-CD2 3.82Å; V917-W927 HydrophobicContact CB-CE3 4.27Å; V917-W927 HydrophobicContact CB-CG 4.11Å; V917-W927 HydrophobicContact CB-CZ2 4.1Å; V917-W927 HydrophobicContact CG1-CB 3.94Å; V917-W927 HydrophobicContact CG1-CD2 3.76Å; V917-W927 HydrophobicContact CG1-CE3 4.42Å; V917-W927 HydrophobicContact CG1-CG 3.51Å; V917-W927 HydrophobicContact CG2-CD2 4.29Å; V917-W927 HydrophobicContact CG2-CE3 4.25Å; V917-W927 HydrophobicContact CG2-CZ3 4.42Å; F918-W927 WeakPolarHBondContact O-CZ2 3.45Å; C919-W927 HydrophobicContact CB-CH2 4.18Å; I925-W927 HydrophobicContact CB-CE3 4.34Å; I925-W927 HydrophobicContact CB-CH2 3.53Å; I925-W927 HydrophobicContact CB-CZ2 4.05Å; I925-W927 HydrophobicContact CB-CZ3 3.69Å; I925-W927 HydrophobicContact CD1-CH2 3.62Å; I925-W927 HydrophobicContact CD1-CZ2 4.04Å; I925-W927 HydrophobicContact CG1-CH2 4.21Å; I925-W927 HydrophobicContact CG2-CD2 3.92Å; I925-W927 HydrophobicContact CG2-CE3 3.94Å; I925-W927 HydrophobicContact CG2-CH2 3.42Å; I925-W927 VanDerWaalsContact CG2-CH2 3.42Å; I925-W927 HydrophobicContact CG2-CZ2 3.4Å; I925-W927 VanDerWaalsContact CG2-CZ2 3.4Å; I925-W927 HydrophobicContact CG2-CZ3 3.68Å; W927-L930 HydrophobicContact CB-CD1 4.42Å; W927-L930 HydrophobicContact CB-CD2 4.07Å; W927-L930 HydrophobicContact CB-CG 4.43Å
928	S	98.1	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	156.7	-172.7	-176.7	0	0	0	0	111.9	P489 S491 E752 T778 L930	P489-S928 VanDerWaalsContact CB-CB 3.45Å; S491-S928 WeakPolarHBondContact CB-OG 3.37Å; S491-S928 PolarHBondContact OG-OG 3.28Å; E752-S928 WeakPolarHBondContact OE2-CB 3.34Å; E752-S928 PolarHBondContact OE2-OG 3.06Å; T778-S928 WeakPolarHBondContact CB-O 3.13Å; T778-S928 PolarHBondContact N-O 2.9Å; T778-S928 PolarHBondContact O-N 2.65Å; S928-L930 PolarHBondContact O-N 2.88Å; S928-L930 VanDerWaalsContact O-N 3.15Å
929	N	96.9	Very high	95.3	Very high	34 Å²	34	33 Å²	33	18%	0.182	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	47.6	46.9	175.8	-175	22.5	0	0	0	112.1	A467 S491 M751 R876	A467-N929 WeakPolarHBondContact CB-ND2 3.29Å; S491-N929 PolarHBondContact OG-N 2.82Å; M751-N929 PolarHBondContact O-N 2.87Å; R876-N929 PolarHBondContact NH1-ND2 3.02Å; R876-N929 PolarHBondContact NH1-O 3.3Å; R876-N929 PolarHBondContact NH2-O 3.44Å
930	L	97.9	Very high	94.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	134	176.4	-67.9	175.6	0	0	0	109.2	T722 F724 M751 I753 F775 W877 W927 S928	T722-L930 HydrophobicContact CG2-CB 4.23Å; T722-L930 VanDerWaalsContact CG2-O 3.31Å; T722-L930 WeakPolarHBondContact CG2-O 3.45Å; F724-L930 HydrophobicContact CD2-CD1 3.87Å; F724-L930 HydrophobicContact CE2-CB 4.38Å; F724-L930 HydrophobicContact CE2-CD1 4.09Å; M751-L930 WeakPolarHBondContact O-CB 3.07Å; M751-L930 PolarHBondContact O-N 2.93Å; I753-L930 HydrophobicContact CD1-CD1 3.84Å; I753-L930 HydrophobicContact CG1-CD1 3.91Å; F775-L930 HydrophobicContact CE2-CD2 4.09Å; F775-L930 HydrophobicContact CZ-CD2 4.01Å; W877-L930 HydrophobicContact CH2-CD2 3.59Å; W877-L930 HydrophobicContact CZ2-CD2 3.53Å; W927-L930 HydrophobicContact CB-CD1 4.42Å; W927-L930 HydrophobicContact CB-CD2 4.07Å; W927-L930 HydrophobicContact CB-CG 4.43Å; S928-L930 PolarHBondContact O-N 2.88Å; S928-L930 VanDerWaalsContact O-N 3.15Å
931	K	96.1	Very high	94.4	Very high	76 Å²	76	41.4 Å²	41.4	33%	0.33	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	128.7	176.5	-175.2	175.9	-177.9	178.1	0	110.1	H712 T722 F775 E776	H712-K931 WeakPolarHBondContact NE2-CE 3.12Å; T722-K931 WeakPolarHBondContact OG1-CA 3.49Å; F775-K931 WeakPolarHBondContact CD2-O 3.44Å; E776-K931 HydrophobicContact CG-CB 3.86Å; E776-K931 PolarHBondContact N-O 2.75Å; E776-K931 PolarHBondContact O-N 3.03Å
932	Y	96.8	Very high	94	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	151.7	166.6	53.1	-113.9	0	0	0	109.9	H712 V719 L721 T722 D723 F724 F770 D774 L915	H712-Y932 WeakPolarHBondContact CB-O 3.41Å; H712-Y932 VanDerWaalsContact CG-O 3.32Å; H712-Y932 PolarHBondContact ND1-O 3.36Å; V719-Y932 HydrophobicContact CG1-CE2 3.67Å; L721-Y932 PolarHBondContact O-OH 2.73Å; T722-Y932 VanDerWaalsContact CA-CZ 3.47Å; T722-Y932 WeakPolarHBondContact CA-OH 3.44Å; T722-Y932 HydrophobicContact CG2-CD1 3.73Å; T722-Y932 HydrophobicContact CG2-CE1 3.61Å; T722-Y932 HydrophobicContact CG2-CG 4.43Å; T722-Y932 PolarHBondContact OG1-N 2.71Å; D723-Y932 PolarHBondContact N-OH 3.16Å; F724-Y932 HydrophobicContact CD2-CE1 4.33Å; F724-Y932 AromaticContact CE2-CD1 3.74Å; F724-Y932 HydrophobicContact CE2-CD1 3.74Å; F724-Y932 AromaticContact CE2-CE1 3.67Å; F724-Y932 HydrophobicContact CE2-CE1 3.67Å; F724-Y932 AromaticContact CZ-CD1 3.94Å; F724-Y932 HydrophobicContact CZ-CD1 3.94Å; F724-Y932 AromaticContact CZ-CE1 3.97Å; F724-Y932 HydrophobicContact CZ-CE1 3.97Å; F770-Y932 AromaticContact CE1-CD2 3.8Å; F770-Y932 HydrophobicContact CE1-CD2 3.8Å; F770-Y932 HydrophobicContact CE1-CE2 4.12Å; F770-Y932 HydrophobicContact CE1-CG 4.37Å; F770-Y932 HydrophobicContact CZ-CD1 4.25Å; F770-Y932 AromaticContact CZ-CD2 3.56Å; F770-Y932 HydrophobicContact CZ-CD2 3.56Å; F770-Y932 HydrophobicContact CZ-CE1 4.31Å; F770-Y932 AromaticContact CZ-CE2 3.69Å; F770-Y932 HydrophobicContact CZ-CE2 3.69Å; F770-Y932 AromaticContact CZ-CG 3.88Å; F770-Y932 HydrophobicContact CZ-CG 3.88Å; D774-Y932 CarbonylContact O-C 3.52Å; D774-Y932 VanDerWaalsContact O-CA 3.24Å; D774-Y932 WeakPolarHBondContact O-CA 3.46Å; L915-Y932 HydrophobicContact CD1-CD1 3.93Å; L915-Y932 HydrophobicContact CD1-CG 4.02Å
933	R	95.1	Very high	93.2	Very high	83 Å²	83	49.2 Å²	49.2	31%	0.313	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.4	174	-159.5	-175.8	-171.4	174.3	4.3	109.5	H712 V773 D774 N935	H712-R933 CarbonylContact O-C 3.14Å; H712-R933 VanDerWaalsContact O-CA 3.29Å; H712-R933 WeakPolarHBondContact O-CA 3.29Å; H712-R933 WeakPolarHBondContact O-CG 3.29Å; V773-R933 WeakPolarHBondContact CA-O 3.31Å; D774-R933 PolarHBondContact N-O 2.78Å; D774-R933 PolarHBondContact O-N 2.91Å; R933-N935 PolarHBondContact O-N 3.44Å
934	C	95.1	Very high	92.1	Very high	32 Å²	32	54.2 Å²	54.2	22%	0.216	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	128.1	170.1	-65.2	0	0	0	0	109	H712 C713	H712-C934 PolarHBondContact O-N 3.45Å; C713-C934 HydrophobicContact CB-CB 3.62Å; C713-C934 WeakPolarHBondContact CB-SG 3.41Å; C713-C934 WeakPolarHBondContact SG-CB 3.15Å; C713-C934 PolarHBondContact SG-N 3.11Å; C713-C934 CovalentContact SG-SG 2.03Å; C713-C934 PolarHBondContact SG-SG 2.03Å
935	N	93.6	Very high	90.8	Very high	39 Å²	39	54.2 Å²	54.2	21%	0.209	27%	0.273	C	S	.	.			trans	-157.2	104.9	-179.1	-168.2	-4.1	0	0	0	111	G772 D774 R882 R933 N937	G772-N935 CarbonylContact C-O 3.55Å; G772-N935 PolarHBondContact O-N 2.76Å; D774-N935 PolarHBondContact OD2-ND2 3.48Å; R882-N935 WeakPolarHBondContact CD-O 3.2Å; R882-N935 PolarHBondContact NE-O 2.02Å; R882-N935 PolarHBondContact NH1-O 3.39Å; R882-N935 PolarHBondContact NH2-ND2 2.69Å; R933-N935 PolarHBondContact O-N 3.44Å; N935-N937 WeakPolarHBondContact OD1-CB 3.31Å; N935-N937 PolarHBondContact OD1-N 2.89Å; N935-N937 VanDerWaalsContact OD1-N 3.16Å
936	D	90.1	Very high	89.1	Confident	77 Å²	77	59.7 Å²	59.7	41%	0.412	30%	0.298	S	S	.	.			trans	-96.3	-5	178.4	-57.1	-61.3	0	0	0	113.1	G772 Q884 I938	G772-D936 WeakPolarHBondContact CA-OD1 3.33Å; G772-D936 PolarHBondContact N-OD1 3.24Å; Q884-D936 PolarHBondContact NE2-O 3.06Å; D936-I938 PolarHBondContact O-N 3.21Å; D936-I938 VanDerWaalsContact O-N 3.14Å
937	N	91.3	Very high	86.8	Confident	125 Å²	125	62.5 Å²	62.5	67%	0.668	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-67.1	117.2	177	-70.6	-47.6	0	0	0	110	R882 N935 P939	R882-N937 PolarHBondContact NE-O 3.35Å; N935-N937 WeakPolarHBondContact OD1-CB 3.31Å; N935-N937 PolarHBondContact OD1-N 2.89Å; N935-N937 VanDerWaalsContact OD1-N 3.16Å; N937-P939 WeakPolarHBondContact O-CD 3.29Å
938	I	91.7	Very high	84.4	Confident	71 Å²	71	66.6 Å²	66.6	36%	0.364	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-69.7	124.2	178.9	-59.6	170.7	0	0	0	109	Q884 V885 D936 Y942	Q884-I938 HydrophobicContact CG-CD1 4.14Å; Q884-I938 HydrophobicContact CG-CG1 4.34Å; V885-I938 HydrophobicContact CG1-CD1 3.69Å; V885-I938 HydrophobicContact CG2-CD1 3.99Å; V885-I938 HydrophobicContact CG2-CG1 4.18Å; V885-I938 HydrophobicContact CG2-CG2 4.19Å; D936-I938 PolarHBondContact O-N 3.21Å; D936-I938 VanDerWaalsContact O-N 3.14Å; I938-Y942 HydrophobicContact CG2-CD1 3.82Å; I938-Y942 HydrophobicContact CG2-CG 3.8Å
939	P	91.3	Very high	81.6	Confident	22 Å²	22	77.7 Å²	77.7	14%	0.143	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-59.1	142.8	178.5	-29.7	39.4	0	0	0	114.1	Y887 N937 D941 Y942	Y887-P939 HydrophobicContact CD1-CG 4.33Å; Y887-P939 HydrophobicContact CE1-CB 4.41Å; Y887-P939 HydrophobicContact CE1-CG 3.78Å; Y887-P939 HydrophobicContact CE2-CB 4.14Å; Y887-P939 HydrophobicContact CE2-CG 4.27Å; N937-P939 WeakPolarHBondContact O-CD 3.29Å; P939-D941 WeakPolarHBondContact CB-OD1 3.43Å; P939-D941 PolarHBondContact O-N 3.24Å; P939-D941 VanDerWaalsContact O-N 3.14Å; P939-Y942 WeakPolarHBondContact O-CB 3.35Å; P939-Y942 PolarHBondContact O-N 2.83Å
940	D	87.1	Confident	80.9	Confident	141 Å²	141	79.9 Å²	79.9	75%	0.754	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.1	-177.2	-71.8	-32.1	0	0	0	113.8	Y942 Q943	D940-Y942 PolarHBondContact O-N 3.38Å; D940-Q943 PolarHBondContact O-N 2.64Å
941	D	87.4	Confident	80	Confident	37 Å²	37	84.1 Å²	84.1	20%	0.198	45%	0.449	C	S	.	.	H	α-helix	trans	-69.9	-10.2	-179.9	66.3	-18	0	0	0	113.6	Y887 R889 P939	Y887-D941 WeakPolarHBondContact CE2-OD1 3.17Å; Y887-D941 PolarHBondContact OH-OD1 3.47Å; Y887-D941 PolarHBondContact OH-OD2 2.69Å; Y887-D941 VanDerWaalsContact OH-OD2 3.14Å; R889-D941 IonicContact CZ-OD2 2.61Å; R889-D941 IonicContact NH1-OD2 2.76Å; R889-D941 PolarHBondContact NH1-OD2 3.41Å; P939-D941 WeakPolarHBondContact CB-OD1 3.43Å; P939-D941 PolarHBondContact O-N 3.24Å; P939-D941 VanDerWaalsContact O-N 3.14Å
942	Y	85.4	Confident	79.1	Confident	30 Å²	30	84.6 Å²	84.6	12%	0.118	46%	0.456	C	S	.	.	H	α-helix	trans	-63.4	-43.5	167.8	178.8	-104.2	0	0	0	111.9	V885 Y887 I906 I938 P939 D940 E944 V945 E946	V885-Y942 HydrophobicContact CB-CE1 4.43Å; V885-Y942 HydrophobicContact CB-CE2 3.97Å; V885-Y942 HydrophobicContact CG1-CE1 4.35Å; V885-Y942 HydrophobicContact CG2-CD2 4.34Å; V885-Y942 HydrophobicContact CG2-CE2 3.99Å; Y887-Y942 AromaticContact CD2-CD2 4Å; Y887-Y942 HydrophobicContact CD2-CD2 4Å; Y887-Y942 HydrophobicContact CD2-CG 4.47Å; I906-Y942 HydrophobicContact CD1-CD2 3.93Å; I906-Y942 HydrophobicContact CD1-CE2 3.7Å; I938-Y942 HydrophobicContact CG2-CD1 3.82Å; I938-Y942 HydrophobicContact CG2-CG 3.8Å; P939-Y942 WeakPolarHBondContact O-CB 3.35Å; P939-Y942 PolarHBondContact O-N 2.83Å; D940-Y942 PolarHBondContact O-N 3.38Å; Y942-E944 VanDerWaalsContact C-N 3.25Å; Y942-E944 PolarHBondContact O-N 3.29Å; Y942-V945 PolarHBondContact O-N 2.85Å; Y942-E946 HydrophobicContact CD1-CG 4.46Å; Y942-E946 HydrophobicContact CE1-CG 3.75Å; Y942-E946 WeakPolarHBondContact CE1-OE1 3.32Å; Y942-E946 HydrophobicContact CE2-CG 4.41Å; Y942-E946 PolarHBondContact O-N 2.76Å; Y942-E946 VanDerWaalsContact O-N 3.09Å; Y942-E946 PolarHBondContact OH-OE1 2.62Å
943	Q	77.6	Confident	78	Confident	141 Å²	141	89.1 Å²	89.1	66%	0.659	48%	0.481	S	S	*	.	H	α-helix	trans	-66	-29.5	-177.1	-64.1	-174.3	7.2	0	0	112.4	D940 V945 G947	D940-Q943 PolarHBondContact O-N 2.64Å; Q943-V945 VanDerWaalsContact C-N 3.27Å; Q943-V945 PolarHBondContact O-N 3.18Å; Q943-G947 PolarHBondContact O-N 2.71Å
944	E	72.6	Confident	76.9	Confident	158 Å²	158	89.5 Å²	89.5	74%	0.738	49%	0.491	S	S	*	.	H	α-helix	trans	-67.5	-29.6	175.7	-62.7	-167.4	164.6	0	0	112.3	Y942	Y942-E944 VanDerWaalsContact C-N 3.25Å; Y942-E944 PolarHBondContact O-N 3.29Å
945	V	68.4	Low	75.7	Confident	57 Å²	57	93.3 Å²	93.3	35%	0.345	51%	0.51	S	S	.	.	H	α-helix	trans	-81.8	-45.2	178.4	-179.1	0	0	0	0	110.9	V904 Y942 Q943 G947 A948 E949	V904-V945 HydrophobicContact CB-CG2 4.08Å; V904-V945 HydrophobicContact CG1-CG2 4.33Å; V904-V945 HydrophobicContact CG2-CG2 4.21Å; Y942-V945 PolarHBondContact O-N 2.85Å; Q943-V945 VanDerWaalsContact C-N 3.27Å; Q943-V945 PolarHBondContact O-N 3.18Å; V945-G947 VanDerWaalsContact C-N 3.26Å; V945-G947 PolarHBondContact O-N 2.81Å; V945-A948 PolarHBondContact O-N 3.02Å; V945-A948 VanDerWaalsContact O-N 3.08Å; V945-E949 PolarHBondContact O-N 3.47Å
946	E	61.1	Low	74.5	Confident	115 Å²	115	97.2 Å²	97.2	54%	0.537	53%	0.531	S	S	.	.	H	α-helix	trans	-61.2	-33.7	174.2	-86.7	-161.5	160.5	0	0	112.7	Y942 A948	Y942-E946 HydrophobicContact CD1-CG 4.46Å; Y942-E946 HydrophobicContact CE1-CG 3.75Å; Y942-E946 WeakPolarHBondContact CE1-OE1 3.32Å; Y942-E946 HydrophobicContact CE2-CG 4.41Å; Y942-E946 PolarHBondContact O-N 2.76Å; Y942-E946 VanDerWaalsContact O-N 3.09Å; Y942-E946 PolarHBondContact OH-OE1 2.62Å; E946-A948 PolarHBondContact O-N 3.34Å
947	G	51	Low	73.3	Confident	68 Å²	68	98.8 Å²	98.8	70%	0.701	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.2	176.8	0	0	0	0	0	114.8	Q943 V945	Q943-G947 PolarHBondContact O-N 2.71Å; V945-G947 VanDerWaalsContact C-N 3.26Å; V945-G947 PolarHBondContact O-N 2.81Å
948	A	48.1	Very low	71.8	Confident	86 Å²	86	96.6 Å²	96.6	71%	0.711	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-15.9	-177.9	0	0	0	0	0	114.1	V945 E946	V945-A948 PolarHBondContact O-N 3.02Å; V945-A948 VanDerWaalsContact O-N 3.08Å; E946-A948 PolarHBondContact O-N 3.34Å
949	E	39.7	Very low	70	Confident	233 Å²	233	98.9 Å²	98.9	100%	1.089	55%	0.545	S	S	*	.			trans	-87.2	0	167	-66.9	-162.5	146.7	0	0	112	V945	V945-E949 PolarHBondContact O-N 3.47Å

Retrieved 949 of 949 residues in 5842.4 ms (Link to these results)

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