A0A3Q0KU73_SCHMA Loading...

Sortilin AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KU73, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,298 aa.

						>A0A3Q0KU73_SCHMA|A0A3Q0KU73
MLFKSNMIILLAVFVLTFTSTSLFGASSSSNVCDSQQKLFDPIIKGGKALEVFYFVNDTKETIQLTWAGENSGVLILVTMTEGESGPGLTSDIYRSDNNGKTFTKITQQLGENIYIRRENGLQRHQNQRDSKELFVICYDVENMTRSMIFVTEDGGSTWERSSVPFVLSGQLRFYPRERLSPWVLTLEEKTSILYLSLDNGKTWKNIHDNVVDYFWSVYEMDPGETVYILYHPQSSKNASERHILAKSSDFGLTWTELLKDVIRVWAPRGVKVDIPRPHDKSSISFDSETEQDYETTKLGHFLYASHFADTKNQTVQLSVSTDGGQTFNKAHLPTIQAERFYSVLEVEDDSAFVHVDAPNDTGYGALFISDISGAIFSESLRHHLYPNHAPVTDFYRVASMRGTYLATRLNPDRTLYTVITHDRGASWHPLGTPINVQDTCQSKPATSTTSSTTTTTTTDATAEAIITETTVSGASMSTVKANTNNNNTMDNAGSEDINDVISTSDNSLTSTTNSPSKDPVQTNIESSTPSEIWRPDPNMSDLLSTDPSSVKVCGLQISNQFSIKNRVIASPPLSIAAAPGLILAHGHVATHLKNTPADVFVSSDGGYTWLKALDGPHHYQIANRGGLIVAVPAETLWPDVLRFSTDEGKCWHTIPLRTGQWSINESNRYQVNNNEDDSMKSQTHHDDVLDDSEESLDKIKSTSVKVTDIPSPSEEQRIVFDKNTIPTTTGSSLDAVPRTTTTITTITTTVNASTVNNISNDTNNISPINQLHADSHQQFQTNDDKWSSASSTSSQRTDEIVVFTGLVTEPGGRAMAAAVYGYGTATQRWRVAVVDFRTNGMIKRKCTPDDYETWIPHSSNEGGKDGCLLGVREQFKRLKKDSLCANEYEMETRVQVEFCPCTQSDYECEYGFYRQPGSLNCIRNPYIPPLDPCTLPRKQRQTIHQLGYRLIPGDRCVGGWQPPIWNQTILDLIKSCPYDNADDDNSLITHNSPATIISIILLIFGIIILLILWMKSNHYRMMSTSNYRLDNRHFKVNTSNALNRLHNWFIPWKRNPFTGLVNNNNIDGWNSIDPVSSTYNDSRTNLWPPTCTTTSSMHKQTVHSNLFKINCIQPKIFNKQLKTTQMNNNSSNNSNVNDIHHLSDPNKNNHTIIIPKKTISIPTFKGGSGNVLHQYFHRHDTDSTNLLEAEEIPSTSSLLSLSSMNTVTNNSSNSCNPRQSFGDPLTSFAYKNSLTKLSNGSTRVYNKNNECNTSSVTNSTKNNNDYNHSSEIHQAMLQKQQQHNSPFTNHHKDILDQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46	Very low	54.1	Low	225 Å²	225	132.3 Å²	132.3	100%	1.108	66%	0.663	S	S	*	*				0	-57.7	0	-83.7	175.7	165.8	0	0	112.7	F3 K4	M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.27Å; M1-K4 PolarHBondContact O-N 2.97Å
2	L	46.7	Very low	54.1	Low	143 Å²	143	125.3 Å²	125.3	75%	0.749	64%	0.641	S	S	*	*	H	α-helix	trans	-37.5	-49.3	-174.8	-72.4	159.1	0	0	0	116.2	K4 S5 N6	L2-K4 VanDerWaalsContact C-N 3.29Å; L2-K4 PolarHBondContact O-N 3.02Å; L2-S5 WeakPolarHBondContact O-CB 3.15Å; L2-S5 PolarHBondContact O-N 2.96Å; L2-N6 PolarHBondContact O-N 3.23Å
3	F	44.7	Very low	54.4	Low	195 Å²	195	121.8 Å²	121.8	86%	0.855	63%	0.629	S	S	*	*	H	α-helix	trans	-55.4	-35.1	178.5	-91	-86	0	0	0	115.1	M1 S5 M7	M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.27Å; F3-S5 VanDerWaalsContact C-N 3.33Å; F3-M7 PolarHBondContact O-N 2.86Å
4	K	52.1	Low	54.1	Low	171 Å²	171	122.5 Å²	122.5	74%	0.743	63%	0.625	S	S	*	*	H	α-helix	trans	-71.6	-28	175.1	-73.6	-164.7	172.7	-170	0	112.6	M1 L2 I8	M1-K4 PolarHBondContact O-N 2.97Å; L2-K4 VanDerWaalsContact C-N 3.29Å; L2-K4 PolarHBondContact O-N 3.02Å; K4-I8 WeakPolarHBondContact O-CD1 3.48Å; K4-I8 VanDerWaalsContact O-CG1 3.28Å; K4-I8 WeakPolarHBondContact O-CG1 3.48Å; K4-I8 PolarHBondContact O-N 3.5Å
5	S	55	Low	53.9	Low	65 Å²	65	120.3 Å²	120.3	46%	0.455	62%	0.62	S	S	.	*	H	α-helix	trans	-70.2	-44.7	177.5	-150.4	0	0	0	0	111.3	L2 F3 M7 I8 I9	L2-S5 WeakPolarHBondContact O-CB 3.15Å; L2-S5 PolarHBondContact O-N 2.96Å; F3-S5 VanDerWaalsContact C-N 3.33Å; S5-M7 PolarHBondContact O-N 3.43Å; S5-I8 PolarHBondContact O-N 3.41Å; S5-I9 WeakPolarHBondContact O-CG1 3.49Å; S5-I9 PolarHBondContact O-N 2.94Å
6	N	53.4	Low	53.5	Low	100 Å²	100	120.4 Å²	120.4	54%	0.535	62%	0.621	S	S	.	*	H	α-helix	trans	-66.4	-36.2	-179.1	-73.1	13.2	0	0	0	112.4	L2 I9 L10	L2-N6 PolarHBondContact O-N 3.23Å; N6-I9 PolarHBondContact O-N 2.91Å; N6-L10 WeakPolarHBondContact O-CB 3.22Å; N6-L10 PolarHBondContact O-N 2.79Å
7	M	56.6	Low	53	Low	127 Å²	127	117.5 Å²	117.5	63%	0.626	61%	0.61	S	S	*	*	H	α-helix	trans	-67.7	-37.4	175.5	-167.5	-178.2	-178.4	0	0	112.3	F3 S5 L10 L11	F3-M7 PolarHBondContact O-N 2.86Å; S5-M7 PolarHBondContact O-N 3.43Å; M7-L10 PolarHBondContact O-N 3.43Å; M7-L11 HydrophobicContact CE-CD1 4.41Å; M7-L11 HydrophobicContact CG-CD1 4.35Å; M7-L11 WeakPolarHBondContact O-CB 3.43Å; M7-L11 PolarHBondContact O-N 2.84Å
8	I	65.2	Low	52.5	Low	115 Å²	115	118.1 Å²	118.1	59%	0.59	61%	0.607	S	S	*	*	H	α-helix	trans	-67.3	-38.8	174.8	-68.3	167.5	0	0	0	110.9	K4 S5 L11 A12	K4-I8 WeakPolarHBondContact O-CD1 3.48Å; K4-I8 VanDerWaalsContact O-CG1 3.28Å; K4-I8 WeakPolarHBondContact O-CG1 3.48Å; K4-I8 PolarHBondContact O-N 3.5Å; S5-I8 PolarHBondContact O-N 3.41Å; I8-L11 PolarHBondContact O-N 2.89Å; I8-A12 VanDerWaalsContact O-CB 3.31Å; I8-A12 WeakPolarHBondContact O-CB 3.23Å; I8-A12 PolarHBondContact O-N 3.11Å
9	I	63.6	Low	51.7	Low	96 Å²	96	116.8 Å²	116.8	49%	0.492	61%	0.606	S	S	.	*	H	α-helix	trans	-65.5	-43.8	175.1	-67.7	163.9	0	0	0	110.8	S5 N6 A12 V13	S5-I9 WeakPolarHBondContact O-CG1 3.49Å; S5-I9 PolarHBondContact O-N 2.94Å; N6-I9 PolarHBondContact O-N 2.91Å; I9-A12 PolarHBondContact O-N 3.38Å; I9-V13 WeakPolarHBondContact O-CG2 3.16Å; I9-V13 PolarHBondContact O-N 3.3Å
10	L	55.4	Low	50.9	Low	120 Å²	120	115 Å²	115	63%	0.628	60%	0.603	S	S	*	*	H	α-helix	trans	-60.8	-44.5	174.9	-89.6	159.7	0	0	0	112.2	N6 M7 V13 F14	N6-L10 WeakPolarHBondContact O-CB 3.22Å; N6-L10 PolarHBondContact O-N 2.79Å; M7-L10 PolarHBondContact O-N 3.43Å; L10-V13 PolarHBondContact O-N 3.28Å; L10-F14 WeakPolarHBondContact O-CB 3.29Å; L10-F14 PolarHBondContact O-N 3.08Å
11	L	56.4	Low	50.3	Low	98 Å²	98	114.3 Å²	114.3	51%	0.513	60%	0.604	S	S	.	*	H	α-helix	trans	-63.4	-41.5	174.6	-82.4	163.4	0	0	0	112.4	M7 I8 F14 V15	M7-L11 HydrophobicContact CE-CD1 4.41Å; M7-L11 HydrophobicContact CG-CD1 4.35Å; M7-L11 WeakPolarHBondContact O-CB 3.43Å; M7-L11 PolarHBondContact O-N 2.84Å; I8-L11 PolarHBondContact O-N 2.89Å; L11-F14 PolarHBondContact O-N 2.82Å; L11-V15 WeakPolarHBondContact O-CB 3.34Å; L11-V15 VanDerWaalsContact O-CG2 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.38Å
12	A	54.6	Low	49.7	Very low	48 Å²	48	108.2 Å²	108.2	40%	0.397	58%	0.583	S	S	.	*	H	α-helix	trans	-64.3	-41.3	176.9	0	0	0	0	0	112	I8 I9 L16	I8-A12 VanDerWaalsContact O-CB 3.31Å; I8-A12 WeakPolarHBondContact O-CB 3.23Å; I8-A12 PolarHBondContact O-N 3.11Å; I9-A12 PolarHBondContact O-N 3.38Å; A12-L16 WeakPolarHBondContact O-CB 3.13Å; A12-L16 WeakPolarHBondContact O-CD1 3.33Å; A12-L16 VanDerWaalsContact O-CG 3.28Å; A12-L16 WeakPolarHBondContact O-CG 3.26Å; A12-L16 PolarHBondContact O-N 2.78Å
13	V	58	Low	49.1	Very low	80 Å²	80	108.4 Å²	108.4	49%	0.485	58%	0.584	S	S	.	*	H	α-helix	trans	-62.5	-47.7	172.8	170.5	0	0	0	0	110.4	I9 L10 V15 L16 T17	I9-V13 WeakPolarHBondContact O-CG2 3.16Å; I9-V13 PolarHBondContact O-N 3.3Å; L10-V13 PolarHBondContact O-N 3.28Å; V13-V15 PolarHBondContact O-N 2.93Å; V13-L16 PolarHBondContact O-N 3.49Å; V13-T17 HydrophobicContact CG1-CG2 4.43Å; V13-T17 PolarHBondContact O-N 3.46Å; V13-T17 PolarHBondContact O-OG1 2.91Å; V13-T17 VanDerWaalsContact O-OG1 3.06Å
14	F	49.3	Very low	48.6	Very low	132 Å²	132	107.5 Å²	107.5	58%	0.579	58%	0.58	S	S	*	*	H	α-helix	trans	-59.7	-44.1	-179.7	-140.5	-97.6	0	0	0	112	L10 L11 T17 F18	L10-F14 WeakPolarHBondContact O-CB 3.29Å; L10-F14 PolarHBondContact O-N 3.08Å; L11-F14 PolarHBondContact O-N 2.82Å; F14-T17 WeakPolarHBondContact CA-OG1 3.36Å; F14-T17 PolarHBondContact O-N 2.84Å; F14-T17 PolarHBondContact O-OG1 3.09Å; F14-F18 AromaticContact CD1-CD2 3.81Å; F14-F18 HydrophobicContact CD1-CD2 3.81Å; F14-F18 AromaticContact CD1-CE2 3.92Å; F14-F18 HydrophobicContact CD1-CE2 3.92Å; F14-F18 AromaticContact CE1-CD2 3.81Å; F14-F18 HydrophobicContact CE1-CD2 3.81Å; F14-F18 AromaticContact CE1-CE2 3.42Å; F14-F18 HydrophobicContact CE1-CE2 3.42Å; F14-F18 VanDerWaalsContact CE1-CE2 3.42Å; F14-F18 HydrophobicContact CE1-CZ 4.29Å; F14-F18 AromaticContact CZ-CE2 3.84Å; F14-F18 HydrophobicContact CZ-CE2 3.84Å; F14-F18 WeakPolarHBondContact O-CD2 3.43Å; F14-F18 PolarHBondContact O-N 3.27Å
15	V	52.4	Low	47.5	Very low	89 Å²	89	103.4 Å²	103.4	54%	0.539	59%	0.587	S	S	.	*	H	α-helix	trans	-66.8	-38.3	177	171.7	0	0	0	0	111.8	L11 V13 F18 T19	L11-V15 WeakPolarHBondContact O-CB 3.34Å; L11-V15 VanDerWaalsContact O-CG2 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.38Å; V13-V15 PolarHBondContact O-N 2.93Å; V15-F18 PolarHBondContact O-N 3.33Å; V15-T19 HydrophobicContact CG1-CG2 4.37Å; V15-T19 WeakPolarHBondContact O-CB 3.47Å; V15-T19 WeakPolarHBondContact O-CG2 3.31Å; V15-T19 PolarHBondContact O-N 3.47Å; V15-T19 PolarHBondContact O-OG1 2.81Å
16	L	46.8	Very low	46.5	Very low	123 Å²	123	104.6 Å²	104.6	64%	0.644	60%	0.601	S	S	*	*	H	α-helix	trans	-71.1	-32.7	176	-74	166.9	0	0	0	112.9	A12 V13 S20	A12-L16 WeakPolarHBondContact O-CB 3.13Å; A12-L16 WeakPolarHBondContact O-CD1 3.33Å; A12-L16 VanDerWaalsContact O-CG 3.28Å; A12-L16 WeakPolarHBondContact O-CG 3.26Å; A12-L16 PolarHBondContact O-N 2.78Å; V13-L16 PolarHBondContact O-N 3.49Å; L16-S20 PolarHBondContact O-OG 3.26Å
17	T	44.8	Very low	45.7	Very low	70 Å²	70	102.2 Å²	102.2	43%	0.429	59%	0.592	S	S	.	*	H	α-helix	trans	-71.5	-34.8	172.7	48.6	0	0	0	0	112.7	V13 F14 S20 T21	V13-T17 HydrophobicContact CG1-CG2 4.43Å; V13-T17 PolarHBondContact O-N 3.46Å; V13-T17 PolarHBondContact O-OG1 2.91Å; V13-T17 VanDerWaalsContact O-OG1 3.06Å; F14-T17 WeakPolarHBondContact CA-OG1 3.36Å; F14-T17 PolarHBondContact O-N 2.84Å; F14-T17 PolarHBondContact O-OG1 3.09Å; T17-S20 PolarHBondContact O-OG 3.24Å; T17-T21 PolarHBondContact O-OG1 2.87Å
18	F	43.9	Very low	45	Very low	129 Å²	129	100.5 Å²	100.5	57%	0.566	59%	0.592	S	S	*	*	H	α-helix	trans	-85	-14.5	179.9	-90.6	-90.6	0	0	0	114.8	F14 V15	F14-F18 AromaticContact CD1-CD2 3.81Å; F14-F18 HydrophobicContact CD1-CD2 3.81Å; F14-F18 AromaticContact CD1-CE2 3.92Å; F14-F18 HydrophobicContact CD1-CE2 3.92Å; F14-F18 AromaticContact CE1-CD2 3.81Å; F14-F18 HydrophobicContact CE1-CD2 3.81Å; F14-F18 AromaticContact CE1-CE2 3.42Å; F14-F18 HydrophobicContact CE1-CE2 3.42Å; F14-F18 VanDerWaalsContact CE1-CE2 3.42Å; F14-F18 HydrophobicContact CE1-CZ 4.29Å; F14-F18 AromaticContact CZ-CE2 3.84Å; F14-F18 HydrophobicContact CZ-CE2 3.84Å; F14-F18 WeakPolarHBondContact O-CD2 3.43Å; F14-F18 PolarHBondContact O-N 3.27Å; V15-F18 PolarHBondContact O-N 3.33Å
19	T	37.3	Very low	44.3	Very low	94 Å²	94	98.5 Å²	98.5	58%	0.577	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	3.9	178	48.1	0	0	0	0	114.4	V15	V15-T19 HydrophobicContact CG1-CG2 4.37Å; V15-T19 WeakPolarHBondContact O-CB 3.47Å; V15-T19 WeakPolarHBondContact O-CG2 3.31Å; V15-T19 PolarHBondContact O-N 3.47Å; V15-T19 PolarHBondContact O-OG1 2.81Å
20	S	36.5	Very low	44.1	Very low	79 Å²	79	97 Å²	97	55%	0.552	59%	0.587	S	S	*	*	S	Bend	trans	-113.5	-6.2	172.3	47.9	0	0	0	0	113.9	L16 T17	L16-S20 PolarHBondContact O-OG 3.26Å; T17-S20 PolarHBondContact O-OG 3.24Å
21	T	37.1	Very low	45	Very low	101 Å²	101	96.3 Å²	96.3	62%	0.62	58%	0.584	S	S	*	*	S	Bend	trans	-112	36	-176.3	59.1	0	0	0	0	113.4	T17	T17-T21 PolarHBondContact O-OG1 2.87Å
22	S	34.8	Very low	46.3	Very low	97 Å²	97	93.8 Å²	93.8	68%	0.678	57%	0.572	S	S	*	*	S	Bend	trans	-126.7	25.5	-179	59	0	0	0	0	113.9
23	L	33.2	Very low	47.9	Very low	147 Å²	147	93.2 Å²	93.2	77%	0.77	57%	0.565	S	S	*	*	S	Bend	trans	-143.2	16	-178	-108.6	165.4	0	0	0	115
24	F	34.1	Very low	49.5	Very low	176 Å²	176	92.8 Å²	92.8	77%	0.772	56%	0.56	S	S	*	*			trans	-130.5	45.1	-177.6	-69.2	-76.9	0	0	0	112.8
25	G	30.1	Very low	51.4	Low	85 Å²	85	90.1 Å²	90.1	88%	0.876	56%	0.558	S	S	*	*	S	Bend	trans	-110.8	6.7	-173.6	0	0	0	0	0	116.8
26	A	34.1	Very low	53.2	Low	90 Å²	90	86.4 Å²	86.4	74%	0.744	54%	0.535	S	S	*	.	S	Bend	trans	-151.6	-9.3	-177.7	0	0	0	0	0	115.6
27	S	35.7	Very low	55.4	Low	51 Å²	51	83.4 Å²	83.4	36%	0.357	52%	0.517	S	S	.	.			trans	-99.7	-7.5	-165.2	50.8	0	0	0	0	115.6	N31	S27-N31 PolarHBondContact O-ND2 2.89Å
28	S	42.7	Very low	57.6	Low	90 Å²	90	86.9 Å²	86.9	63%	0.629	53%	0.526	S	S	*	.	H	α-helix	trans	-68.8	-41.2	-174.9	51.7	0	0	0	0	113.4	N31 V32	S28-N31 PolarHBondContact O-N 2.96Å; S28-V32 PolarHBondContact O-N 2.9Å
29	S	50.2	Low	59.9	Low	74 Å²	74	84.9 Å²	84.9	52%	0.517	52%	0.521	S	S	.	.	H	α-helix	trans	-65.5	-45.9	-178.4	50.7	0	0	0	0	113.2	N31 V32 C33	S29-N31 VanDerWaalsContact C-N 3.31Å; S29-N31 PolarHBondContact O-N 2.63Å; S29-V32 PolarHBondContact O-N 3.04Å; S29-C33 PolarHBondContact O-N 3.02Å; S29-C33 VanDerWaalsContact O-N 3.08Å
30	S	58.4	Low	62.6	Low	64 Å²	64	80.4 Å²	80.4	45%	0.448	49%	0.493	S	S	.	.	H	α-helix	trans	-56.3	-47.9	176.5	-164.1	0	0	0	0	110.8	V32 C33 D34	S30-V32 VanDerWaalsContact C-N 3.27Å; S30-V32 PolarHBondContact O-N 3.19Å; S30-C33 WeakPolarHBondContact O-CB 3.49Å; S30-C33 PolarHBondContact O-N 2.78Å; S30-C33 VanDerWaalsContact O-N 3.13Å; S30-D34 WeakPolarHBondContact O-CB 3.25Å; S30-D34 PolarHBondContact O-N 2.62Å; S30-D34 PolarHBondContact OG-OD2 3.47Å
31	N	74.5	Confident	65.3	Low	106 Å²	106	78.7 Å²	78.7	57%	0.567	48%	0.478	S	S	*	.	H	α-helix	trans	-59.2	-34.5	-179.4	-75.5	-39.7	0	0	0	113.3	S27 S28 S29 S35	S27-N31 PolarHBondContact O-ND2 2.89Å; S28-N31 PolarHBondContact O-N 2.96Å; S29-N31 VanDerWaalsContact C-N 3.31Å; S29-N31 PolarHBondContact O-N 2.63Å; N31-S35 WeakPolarHBondContact O-CB 3.19Å; N31-S35 PolarHBondContact O-N 2.84Å; N31-S35 VanDerWaalsContact O-N 3.11Å
32	V	83.8	Confident	67.9	Low	45 Å²	45	78.1 Å²	78.1	27%	0.273	48%	0.476	S	S	.	.	H	α-helix	trans	-70.6	-48.7	174.6	176.8	0	0	0	0	110.7	S28 S29 S30 D34 S35 Q36	S28-V32 PolarHBondContact O-N 2.9Å; S29-V32 PolarHBondContact O-N 3.04Å; S30-V32 VanDerWaalsContact C-N 3.27Å; S30-V32 PolarHBondContact O-N 3.19Å; V32-D34 PolarHBondContact O-N 2.86Å; V32-S35 WeakPolarHBondContact O-CB 3.14Å; V32-S35 PolarHBondContact O-N 3.01Å; V32-S35 VanDerWaalsContact O-N 3.16Å; V32-Q36 HydrophobicContact CG1-CG 4.36Å; V32-Q36 WeakPolarHBondContact O-CG 3.15Å; V32-Q36 PolarHBondContact O-N 3.42Å
33	C	88.6	Confident	70.6	Confident	36 Å²	36	74.5 Å²	74.5	24%	0.243	45%	0.449	C	S	.	.	H	α-helix	trans	-56.2	-50.9	176.7	-171.8	0	0	0	0	112	S29 S30 S35 Q36 Q37 C651	S29-C33 PolarHBondContact O-N 3.02Å; S29-C33 VanDerWaalsContact O-N 3.08Å; S30-C33 WeakPolarHBondContact O-CB 3.49Å; S30-C33 PolarHBondContact O-N 2.78Å; S30-C33 VanDerWaalsContact O-N 3.13Å; C33-S35 PolarHBondContact O-N 3.39Å; C33-Q36 PolarHBondContact O-N 2.89Å; C33-Q37 WeakPolarHBondContact O-CB 3.4Å; C33-Q37 PolarHBondContact O-N 2.87Å; C33-C651 HydrophobicContact CB-CB 4.07Å; C33-C651 VanDerWaalsContact CB-SG 3.53Å
34	D	90.7	Very high	73.4	Confident	70 Å²	70	68.7 Å²	68.7	37%	0.374	42%	0.419	S	S	.	.	H	α-helix	trans	-63.6	-28.8	179.3	-73	-53.7	0	0	0	112.5	S30 V32 K38	S30-D34 WeakPolarHBondContact O-CB 3.25Å; S30-D34 PolarHBondContact O-N 2.62Å; S30-D34 PolarHBondContact OG-OD2 3.47Å; V32-D34 PolarHBondContact O-N 2.86Å; D34-K38 WeakPolarHBondContact O-CD 3.24Å; D34-K38 VanDerWaalsContact O-CE 3.22Å; D34-K38 WeakPolarHBondContact O-CE 3.32Å; D34-K38 WeakPolarHBondContact O-CG 3.42Å; D34-K38 PolarHBondContact O-N 2.97Å; D34-K38 PolarHBondContact O-NZ 2.75Å
35	S	89.6	Confident	76	Confident	77 Å²	77	67.9 Å²	67.9	54%	0.538	42%	0.415	S	S	.	.	H	α-helix	trans	-77	-47.3	175.6	-172.7	0	0	0	0	111.6	N31 V32 C33 K38 L39	N31-S35 WeakPolarHBondContact O-CB 3.19Å; N31-S35 PolarHBondContact O-N 2.84Å; N31-S35 VanDerWaalsContact O-N 3.11Å; V32-S35 WeakPolarHBondContact O-CB 3.14Å; V32-S35 PolarHBondContact O-N 3.01Å; V32-S35 VanDerWaalsContact O-N 3.16Å; C33-S35 PolarHBondContact O-N 3.39Å; S35-K38 PolarHBondContact O-N 2.9Å; S35-L39 PolarHBondContact O-N 3.15Å; S35-L39 VanDerWaalsContact O-N 3.13Å
36	Q	91.2	Very high	78.7	Confident	11 Å²	11	65.4 Å²	65.4	5%	0.051	39%	0.389	C	S	.	.	H	α-helix	trans	-63.3	-42.1	176.8	-69.6	-174.4	8.7	0	0	111.3	V32 C33 K38 L39 F40 T646	V32-Q36 HydrophobicContact CG1-CG 4.36Å; V32-Q36 WeakPolarHBondContact O-CG 3.15Å; V32-Q36 PolarHBondContact O-N 3.42Å; C33-Q36 PolarHBondContact O-N 2.89Å; Q36-K38 VanDerWaalsContact C-N 3.35Å; Q36-K38 PolarHBondContact O-N 3.18Å; Q36-L39 WeakPolarHBondContact O-CB 3.24Å; Q36-L39 PolarHBondContact O-N 2.92Å; Q36-L39 VanDerWaalsContact O-N 3.07Å; Q36-F40 HydrophobicContact CB-CD2 4.38Å; Q36-F40 HydrophobicContact CB-CE2 3.81Å; Q36-F40 HydrophobicContact CB-CZ 4.37Å; Q36-F40 WeakPolarHBondContact O-CD2 3.33Å; Q36-F40 WeakPolarHBondContact O-CG 3.31Å; Q36-F40 PolarHBondContact O-N 2.9Å; Q36-T646 PolarHBondContact OE1-OG1 3.13Å
37	Q	91.5	Very high	81	Confident	60 Å²	60	62.4 Å²	62.4	28%	0.28	37%	0.367	S	S	.	.	H	α-helix	trans	-59.4	-42.6	174.6	-174	62.7	46.3	0	0	111.9	C33 L39 F40 D41 H653	C33-Q37 WeakPolarHBondContact O-CB 3.4Å; C33-Q37 PolarHBondContact O-N 2.87Å; Q37-L39 VanDerWaalsContact C-N 3.27Å; Q37-L39 PolarHBondContact O-N 3.05Å; Q37-F40 PolarHBondContact O-N 3.02Å; Q37-D41 PolarHBondContact NE2-OD1 3.1Å; Q37-D41 VanDerWaalsContact O-CB 3.25Å; Q37-D41 WeakPolarHBondContact O-CB 3.38Å; Q37-D41 PolarHBondContact O-N 2.69Å; Q37-H653 PolarHBondContact OE1-ND1 2.85Å
38	K	92.6	Very high	83.5	Confident	143 Å²	143	67.2 Å²	67.2	62%	0.622	38%	0.381	S	S	*	.	H	α-helix	trans	-64.7	-28	176	-72.5	162.1	-162.2	147.8	0	113.2	D34 S35 Q36 P42	D34-K38 WeakPolarHBondContact O-CD 3.24Å; D34-K38 VanDerWaalsContact O-CE 3.22Å; D34-K38 WeakPolarHBondContact O-CE 3.32Å; D34-K38 WeakPolarHBondContact O-CG 3.42Å; D34-K38 PolarHBondContact O-N 2.97Å; D34-K38 PolarHBondContact O-NZ 2.75Å; S35-K38 PolarHBondContact O-N 2.9Å; Q36-K38 VanDerWaalsContact C-N 3.35Å; Q36-K38 PolarHBondContact O-N 3.18Å; K38-P42 WeakPolarHBondContact O-CD 3.31Å
39	L	92.1	Very high	85.7	Confident	86 Å²	86	63 Å²	63	45%	0.45	35%	0.352	S	S	.	.	H	α-helix	trans	-76.2	-39.4	175.1	179.8	64.5	0	0	0	112.4	S35 Q36 Q37 L884	S35-L39 PolarHBondContact O-N 3.15Å; S35-L39 VanDerWaalsContact O-N 3.13Å; Q36-L39 WeakPolarHBondContact O-CB 3.24Å; Q36-L39 PolarHBondContact O-N 2.92Å; Q36-L39 VanDerWaalsContact O-N 3.07Å; Q37-L39 VanDerWaalsContact C-N 3.27Å; Q37-L39 PolarHBondContact O-N 3.05Å; L39-L884 HydrophobicContact CD2-CD2 3.51Å
40	F	94.1	Very high	87.6	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-83.8	-31.1	-177.9	-54.4	-40.1	0	0	0	113.4	Q36 Q37 I43 I44 F644 H653 M842 L884	Q36-F40 HydrophobicContact CB-CD2 4.38Å; Q36-F40 HydrophobicContact CB-CE2 3.81Å; Q36-F40 HydrophobicContact CB-CZ 4.37Å; Q36-F40 WeakPolarHBondContact O-CD2 3.33Å; Q36-F40 WeakPolarHBondContact O-CG 3.31Å; Q36-F40 PolarHBondContact O-N 2.9Å; Q37-F40 PolarHBondContact O-N 3.02Å; F40-I43 WeakPolarHBondContact O-CA 3.11Å; F40-I43 WeakPolarHBondContact O-CB 3.16Å; F40-I43 PolarHBondContact O-N 3.38Å; F40-I44 HydrophobicContact CB-CD1 3.85Å; F40-I44 HydrophobicContact CB-CG1 4.5Å; F40-I44 WeakPolarHBondContact O-CG1 3.34Å; F40-I44 PolarHBondContact O-N 3.47Å; F40-F644 AromaticContact CD2-CE2 3.94Å; F40-F644 HydrophobicContact CD2-CE2 3.94Å; F40-F644 AromaticContact CD2-CZ 3.68Å; F40-F644 HydrophobicContact CD2-CZ 3.68Å; F40-F644 AromaticContact CE2-CE2 3.69Å; F40-F644 HydrophobicContact CE2-CE2 3.69Å; F40-F644 AromaticContact CE2-CZ 3.94Å; F40-F644 HydrophobicContact CE2-CZ 3.94Å; F40-F644 HydrophobicContact CG-CZ 4.02Å; F40-F644 HydrophobicContact CZ-CE2 4.11Å; F40-F644 HydrophobicContact CZ-CZ 4.49Å; F40-H653 HydrophobicContact CD2-CB 4.28Å; F40-H653 AromaticContact CD2-CD2 3.64Å; F40-H653 AromaticContact CD2-CG 3.7Å; F40-H653 AromaticContact CD2-NE2 3.92Å; F40-H653 AromaticContact CE2-CD2 3.46Å; F40-H653 VanDerWaalsContact CE2-CD2 3.46Å; F40-H653 WeakPolarHBondContact CE2-CD2 3.24Å; F40-H653 AromaticContact CE2-NE2 3.65Å; F40-M842 HydrophobicContact CD1-CB 3.91Å; F40-M842 HydrophobicContact CD1-CG 4.07Å; F40-M842 HydrophobicContact CD1-SD 4.47Å; F40-M842 HydrophobicContact CE1-CB 3.91Å; F40-L884 HydrophobicContact CE1-CD2 4.03Å; F40-L884 HydrophobicContact CZ-CD1 3.98Å; F40-L884 HydrophobicContact CZ-CD2 3.83Å
41	D	92.3	Very high	89.1	Confident	43 Å²	43	61.1 Å²	61.1	23%	0.23	33%	0.329	C	S	.	.	H	α-helix	trans	-45.4	-49.5	-179.2	-117.8	22.7	0	0	0	114	Q37 I43 I44 K45	Q37-D41 PolarHBondContact NE2-OD1 3.1Å; Q37-D41 VanDerWaalsContact O-CB 3.25Å; Q37-D41 WeakPolarHBondContact O-CB 3.38Å; Q37-D41 PolarHBondContact O-N 2.69Å; D41-I43 VanDerWaalsContact C-N 3.28Å; D41-I43 PolarHBondContact O-N 3.15Å; D41-I44 PolarHBondContact O-N 2.88Å; D41-K45 HydrophobicContact CB-CD 4.48Å; D41-K45 VanDerWaalsContact CG-NZ 3.29Å; D41-K45 WeakPolarHBondContact O-CB 3.25Å; D41-K45 WeakPolarHBondContact O-CG 3.45Å; D41-K45 PolarHBondContact O-N 3.17Å; D41-K45 WeakPolarHBondContact OD1-CE 3.42Å; D41-K45 IonicContact OD1-NZ 3.09Å; D41-K45 PolarHBondContact OD1-NZ 3.45Å; D41-K45 WeakPolarHBondContact OD2-CE 3.38Å; D41-K45 IonicContact OD2-NZ 2.81Å; D41-K45 PolarHBondContact OD2-NZ 3.32Å
42	P	91.9	Very high	89.8	Confident	90 Å²	90	57.3 Å²	57.3	58%	0.584	31%	0.309	S	S	*	.	H	α-helix	trans	-67.4	-25.8	-179.8	-21.4	34.6	0	0	0	113.9	K38 G46	K38-P42 WeakPolarHBondContact O-CD 3.31Å; P42-G46 PolarHBondContact O-N 2.83Å; P42-G46 VanDerWaalsContact O-N 3.15Å
43	I	91.9	Very high	90.1	Very high	21 Å²	21	56.7 Å²	56.7	11%	0.108	30%	0.303	C	S	.	.	H	α-helix	trans	-80.8	-43	179.9	-53.8	174.2	0	0	0	109.4	F40 D41 G47 K48 A49 N840 G841 M842	F40-I43 WeakPolarHBondContact O-CA 3.11Å; F40-I43 WeakPolarHBondContact O-CB 3.16Å; F40-I43 PolarHBondContact O-N 3.38Å; D41-I43 VanDerWaalsContact C-N 3.28Å; D41-I43 PolarHBondContact O-N 3.15Å; I43-G47 PolarHBondContact O-N 2.71Å; I43-K48 HydrophobicContact CG2-CB 4.01Å; I43-K48 PolarHBondContact O-N 2.94Å; I43-A49 HydrophobicContact CG2-CB 4.14Å; I43-A49 PolarHBondContact O-N 2.83Å; I43-N840 WeakPolarHBondContact CG2-O 3.31Å; I43-G841 WeakPolarHBondContact CD1-O 3.14Å; I43-M842 HydrophobicContact CB-CG 4.47Å; I43-M842 HydrophobicContact CD1-CB 4.47Å; I43-M842 HydrophobicContact CD1-CG 3.8Å; I43-M842 HydrophobicContact CG2-CG 4.07Å
44	I	91.2	Very high	90.2	Very high	25 Å²	25	59.8 Å²	59.8	13%	0.128	31%	0.31	C	S	.	.	H	α-helix	trans	-70.7	-51.9	179	-61.2	169.4	0	0	0	110.5	F40 D41 G46 G47 A49 F644 I655	F40-I44 HydrophobicContact CB-CD1 3.85Å; F40-I44 HydrophobicContact CB-CG1 4.5Å; F40-I44 WeakPolarHBondContact O-CG1 3.34Å; F40-I44 PolarHBondContact O-N 3.47Å; D41-I44 PolarHBondContact O-N 2.88Å; I44-G46 VanDerWaalsContact C-N 3.27Å; I44-G46 PolarHBondContact O-N 3.28Å; I44-G47 WeakPolarHBondContact O-CA 3.47Å; I44-G47 PolarHBondContact O-N 2.88Å; I44-A49 HydrophobicContact CG1-CB 3.98Å; I44-F644 HydrophobicContact CD1-CE1 4.48Å; I44-I655 HydrophobicContact CD1-CG1 4.26Å; I44-I655 HydrophobicContact CG1-CG1 4.27Å
45	K	88.1	Confident	90	Very high	159 Å²	159	56.5 Å²	56.5	69%	0.691	29%	0.292	S	S	*	.	H	α-helix	trans	-69	-25.9	179.2	-65.5	170.8	178.6	175.2	0	112.7	D41 G47	D41-K45 HydrophobicContact CB-CD 4.48Å; D41-K45 VanDerWaalsContact CG-NZ 3.29Å; D41-K45 WeakPolarHBondContact O-CB 3.25Å; D41-K45 WeakPolarHBondContact O-CG 3.45Å; D41-K45 PolarHBondContact O-N 3.17Å; D41-K45 WeakPolarHBondContact OD1-CE 3.42Å; D41-K45 IonicContact OD1-NZ 3.09Å; D41-K45 PolarHBondContact OD1-NZ 3.45Å; D41-K45 WeakPolarHBondContact OD2-CE 3.38Å; D41-K45 IonicContact OD2-NZ 2.81Å; D41-K45 PolarHBondContact OD2-NZ 3.32Å; K45-G47 PolarHBondContact O-N 2.78Å
46	G	86.5	Confident	89.8	Confident	32 Å²	32	55.6 Å²	55.6	33%	0.33	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	2.4	168.4	0	0	0	0	0	114.6	P42 I44 K48 W662	P42-G46 PolarHBondContact O-N 2.83Å; P42-G46 VanDerWaalsContact O-N 3.15Å; I44-G46 VanDerWaalsContact C-N 3.27Å; I44-G46 PolarHBondContact O-N 3.28Å; G46-K48 PolarHBondContact O-N 2.82Å; G46-W662 WeakPolarHBondContact O-CH2 3.31Å
47	G	83.5	Confident	89.3	Confident	27 Å²	27	61.6 Å²	61.6	28%	0.278	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	17.5	-178.3	0	0	0	0	0	115.5	I43 I44 K45 A49	I43-G47 PolarHBondContact O-N 2.71Å; I44-G47 WeakPolarHBondContact O-CA 3.47Å; I44-G47 PolarHBondContact O-N 2.88Å; K45-G47 PolarHBondContact O-N 2.78Å; G47-A49 VanDerWaalsContact C-N 3.3Å
48	K	87.6	Confident	88.8	Confident	152 Å²	152	59 Å²	59	66%	0.661	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-13.1	177	-66.5	-176.6	-178.8	179.8	0	112.5	I43 G46 L50 N840	I43-K48 HydrophobicContact CG2-CB 4.01Å; I43-K48 PolarHBondContact O-N 2.94Å; G46-K48 PolarHBondContact O-N 2.82Å; K48-L50 VanDerWaalsContact C-N 3.31Å; K48-L50 PolarHBondContact O-N 2.94Å; K48-N840 WeakPolarHBondContact O-CB 3.39Å; K48-N840 PolarHBondContact O-ND2 3.05Å
49	A	88.9	Confident	88.2	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.008	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-16.1	-177.2	0	0	0	0	0	114.7	I43 I44 G47 I655 M842	I43-A49 HydrophobicContact CG2-CB 4.14Å; I43-A49 PolarHBondContact O-N 2.83Å; I44-A49 HydrophobicContact CG1-CB 3.98Å; G47-A49 VanDerWaalsContact C-N 3.3Å; A49-I655 HydrophobicContact CB-CD1 4.19Å; A49-I655 HydrophobicContact CB-CG1 4.39Å; A49-I655 HydrophobicContact CB-CG2 4.11Å; A49-M842 HydrophobicContact CB-CE 4.4Å; A49-M842 HydrophobicContact CB-SD 4.33Å
50	L	90.2	Very high	87.8	Confident	27 Å²	27	53.7 Å²	53.7	14%	0.141	29%	0.286	C	S	.	.			trans	-136.2	133.9	-172.6	-170.1	74.5	0	0	0	111.3	K48 V52 I655 P656 L657 A833 V835	K48-L50 VanDerWaalsContact C-N 3.31Å; K48-L50 PolarHBondContact O-N 2.94Å; L50-V52 HydrophobicContact CD2-CG2 3.88Å; L50-V52 HydrophobicContact CG-CG2 4.1Å; L50-I655 HydrophobicContact CB-CG2 4.24Å; L50-P656 WeakPolarHBondContact CD2-O 3.47Å; L50-L657 HydrophobicContact CD1-CD2 3.88Å; L50-L657 HydrophobicContact CD2-CD2 4.1Å; L50-A833 HydrophobicContact CD1-CB 4.07Å; L50-A833 HydrophobicContact CD2-CB 4.48Å; L50-A833 HydrophobicContact CG-CB 4.48Å; L50-V835 HydrophobicContact CD1-CG2 3.48Å; L50-V835 VanDerWaalsContact CD1-CG2 3.48Å
51	E	90.4	Very high	87.2	Confident	73 Å²	73	60.1 Å²	60.1	34%	0.341	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.2	172.1	-74	172.2	-120.6	0	0	109.9	K101 A833 V834 N840	E51-K101 HydrophobicContact CB-CG 4.38Å; E51-K101 IonicContact OE1-NZ 2.78Å; E51-K101 PolarHBondContact OE1-NZ 3.39Å; E51-K101 WeakPolarHBondContact OE2-CD 3.46Å; E51-K101 WeakPolarHBondContact OE2-CG 3.34Å; E51-K101 IonicContact OE2-NZ 3.86Å; E51-A833 CarbonylContact O-C 3.6Å; E51-A833 WeakPolarHBondContact O-CA 3.46Å; E51-V834 PolarHBondContact N-O 3.32Å; E51-V834 PolarHBondContact O-N 2.97Å; E51-N840 PolarHBondContact OE1-ND2 3.33Å; E51-N840 PolarHBondContact OE1-OD1 2.85Å
52	V	89.7	Confident	86.8	Confident	25 Å²	25	58.7 Å²	58.7	15%	0.152	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.4	-175.6	-171.9	0	0	0	0	110.7	L50 Y54 T659 R831 V832 A833	L50-V52 HydrophobicContact CD2-CG2 3.88Å; L50-V52 HydrophobicContact CG-CG2 4.1Å; V52-Y54 HydrophobicContact CB-CE2 4.03Å; V52-Y54 HydrophobicContact CG1-CD2 4.01Å; V52-Y54 HydrophobicContact CG1-CE1 4.45Å; V52-Y54 HydrophobicContact CG1-CE2 3.51Å; V52-T659 HydrophobicContact CG2-CG2 3.92Å; V52-R831 HydrophobicContact CG1-CB 4.25Å; V52-R831 HydrophobicContact CG1-CG 4.48Å; V52-V832 WeakPolarHBondContact CA-O 3.5Å; V52-A833 HydrophobicContact CG2-CB 4.02Å
53	F	90.5	Very high	86.6	Confident	33 Å²	33	55.3 Å²	55.3	15%	0.145	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.6	168.9	-172.3	-92.1	0	0	0	110	F55 F103 R831 V832	F53-F55 AromaticContact CD1-CD2 3.99Å; F53-F55 HydrophobicContact CD1-CD2 3.99Å; F53-F55 HydrophobicContact CD1-CE1 4.21Å; F53-F55 AromaticContact CD1-CE2 3.63Å; F53-F55 HydrophobicContact CD1-CE2 3.63Å; F53-F55 HydrophobicContact CD1-CG 4.4Å; F53-F55 AromaticContact CD1-CZ 3.74Å; F53-F55 HydrophobicContact CD1-CZ 3.74Å; F53-F55 AromaticContact CE1-CD1 3.92Å; F53-F55 HydrophobicContact CE1-CD1 3.92Å; F53-F55 HydrophobicContact CE1-CD2 4.15Å; F53-F55 AromaticContact CE1-CE1 3.76Å; F53-F55 HydrophobicContact CE1-CE1 3.76Å; F53-F55 AromaticContact CE1-CE2 3.99Å; F53-F55 HydrophobicContact CE1-CE2 3.99Å; F53-F55 HydrophobicContact CE1-CG 4.1Å; F53-F55 AromaticContact CE1-CZ 3.78Å; F53-F55 HydrophobicContact CE1-CZ 3.78Å; F53-F103 HydrophobicContact CB-CD2 4.41Å; F53-F103 HydrophobicContact CD1-CB 4.2Å; F53-F103 AromaticContact CD1-CD2 3.77Å; F53-F103 HydrophobicContact CD1-CD2 3.77Å; F53-F103 HydrophobicContact CD1-CG 4.43Å; F53-F103 HydrophobicContact CE1-CB 3.75Å; F53-F103 HydrophobicContact CE1-CD2 4.21Å; F53-F103 HydrophobicContact CE1-CG 4.42Å; F53-F103 HydrophobicContact CE2-CB 4.39Å; F53-F103 HydrophobicContact CG-CD2 4.03Å; F53-F103 HydrophobicContact CZ-CB 3.85Å; F53-F103 VanDerWaalsContact CZ-O 3.31Å; F53-F103 WeakPolarHBondContact CZ-O 3.42Å; F53-R831 CarbonylContact O-C 3.45Å; F53-R831 WeakPolarHBondContact O-CA 3.11Å; F53-R831 VanDerWaalsContact O-CB 3.3Å; F53-R831 WeakPolarHBondContact O-CB 3.31Å; F53-V832 PolarHBondContact N-O 3.24Å; F53-V832 PolarHBondContact O-N 3.04Å
54	Y	89.3	Confident	86.3	Confident	100 Å²	100	56.7 Å²	56.7	39%	0.392	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.7	177.6	-66.2	-99.7	0	0	0	109.3	V52 R831	V52-Y54 HydrophobicContact CB-CE2 4.03Å; V52-Y54 HydrophobicContact CG1-CD2 4.01Å; V52-Y54 HydrophobicContact CG1-CE1 4.45Å; V52-Y54 HydrophobicContact CG1-CE2 3.51Å; Y54-R831 HydrophobicContact CD1-CB 4.04Å; Y54-R831 HydrophobicContact CE1-CB 4.41Å; Y54-R831 HydrophobicContact CG-CB 4.45Å
55	F	88	Confident	86.1	Confident	1 Å²	1	56.1 Å²	56.1	0%	0.004	29%	0.289	C	S	.	.			trans	-77.6	131.3	173.3	-66	-95	0	0	0	108.9	F53 D58 L77 Y94 F103 W830 V832	F53-F55 AromaticContact CD1-CD2 3.99Å; F53-F55 HydrophobicContact CD1-CD2 3.99Å; F53-F55 HydrophobicContact CD1-CE1 4.21Å; F53-F55 AromaticContact CD1-CE2 3.63Å; F53-F55 HydrophobicContact CD1-CE2 3.63Å; F53-F55 HydrophobicContact CD1-CG 4.4Å; F53-F55 AromaticContact CD1-CZ 3.74Å; F53-F55 HydrophobicContact CD1-CZ 3.74Å; F53-F55 AromaticContact CE1-CD1 3.92Å; F53-F55 HydrophobicContact CE1-CD1 3.92Å; F53-F55 HydrophobicContact CE1-CD2 4.15Å; F53-F55 AromaticContact CE1-CE1 3.76Å; F53-F55 HydrophobicContact CE1-CE1 3.76Å; F53-F55 AromaticContact CE1-CE2 3.99Å; F53-F55 HydrophobicContact CE1-CE2 3.99Å; F53-F55 HydrophobicContact CE1-CG 4.1Å; F53-F55 AromaticContact CE1-CZ 3.78Å; F53-F55 HydrophobicContact CE1-CZ 3.78Å; F55-D58 HydrophobicContact CB-CB 4.47Å; F55-L77 HydrophobicContact CE1-CD1 4.18Å; F55-L77 HydrophobicContact CE1-CD2 3.74Å; F55-L77 HydrophobicContact CE2-CD1 4.06Å; F55-L77 HydrophobicContact CZ-CD1 3.46Å; F55-L77 VanDerWaalsContact CZ-CD1 3.46Å; F55-L77 HydrophobicContact CZ-CD2 3.91Å; F55-L77 HydrophobicContact CZ-CG 4.32Å; F55-Y94 AromaticContact CD1-CD1 3.99Å; F55-Y94 HydrophobicContact CD1-CD1 3.99Å; F55-Y94 HydrophobicContact CD1-CD2 4.24Å; F55-Y94 AromaticContact CD1-CE1 3.76Å; F55-Y94 HydrophobicContact CD1-CE1 3.76Å; F55-Y94 HydrophobicContact CD1-CE2 4.02Å; F55-Y94 HydrophobicContact CD1-CG 4.23Å; F55-Y94 AromaticContact CD1-CZ 3.78Å; F55-Y94 AromaticContact CE1-CD1 3.73Å; F55-Y94 HydrophobicContact CE1-CD1 3.73Å; F55-Y94 AromaticContact CE1-CD2 3.96Å; F55-Y94 HydrophobicContact CE1-CD2 3.96Å; F55-Y94 HydrophobicContact CE1-CE1 4.01Å; F55-Y94 HydrophobicContact CE1-CE2 4.22Å; F55-Y94 AromaticContact CE1-CG 3.71Å; F55-Y94 HydrophobicContact CE1-CG 3.71Å; F55-F103 HydrophobicContact CE1-CB 4.15Å; F55-F103 HydrophobicContact CE1-CG 4.25Å; F55-F103 HydrophobicContact CE2-CD2 4.48Å; F55-F103 HydrophobicContact CZ-CB 4.18Å; F55-F103 HydrophobicContact CZ-CD1 4.38Å; F55-F103 AromaticContact CZ-CD2 3.75Å; F55-F103 HydrophobicContact CZ-CD2 3.75Å; F55-F103 HydrophobicContact CZ-CE2 4.2Å; F55-F103 AromaticContact CZ-CG 3.85Å; F55-F103 HydrophobicContact CZ-CG 3.85Å; F55-W830 HydrophobicContact CB-CB 4.1Å; F55-W830 HydrophobicContact CD2-CB 3.75Å; F55-W830 WeakPolarHBondContact CD2-O 3.37Å; F55-W830 HydrophobicContact CG-CB 4.12Å; F55-W830 PolarHBondContact N-O 2.92Å; F55-V832 HydrophobicContact CE2-CG2 3.86Å; F55-V832 HydrophobicContact CZ-CG2 4.41Å
56	V	83.7	Confident	85.8	Confident	58 Å²	58	49.6 Å²	49.6	35%	0.352	26%	0.262	S	S	.	.			trans	-116.1	134.1	-176.1	-171.8	0	0	0	0	108.8	D58 Y670	V56-D58 PolarHBondContact O-N 3.33Å; V56-Y670 WeakPolarHBondContact CG1-OH 3.38Å
57	N	80.3	Confident	85.7	Confident	138 Å²	138	48.6 Å²	48.6	74%	0.738	25%	0.249	S	C	*	.	S	Bend	trans	61.2	17.8	-176.7	-53.8	-18.9	0	0	0	115.1
58	D	82.2	Confident	85.8	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	24%	0.235	C	C	.	.			trans	-99.8	136.4	162.9	-158.8	-20.2	0	0	0	109.7	F55 V56 K60 T79 Y94	F55-D58 HydrophobicContact CB-CB 4.47Å; V56-D58 PolarHBondContact O-N 3.33Å; D58-K60 WeakPolarHBondContact OD1-CB 3.5Å; D58-K60 WeakPolarHBondContact OD1-CG 3.21Å; D58-K60 PolarHBondContact OD1-N 3.37Å; D58-K60 IonicContact OD1-NZ 3.61Å; D58-K60 PolarHBondContact OD1-NZ 2.96Å; D58-K60 IonicContact OD2-NZ 3.29Å; D58-K60 PolarHBondContact OD2-NZ 2.98Å; D58-T79 WeakPolarHBondContact OD2-CB 3.42Å; D58-T79 VanDerWaalsContact OD2-CG2 3.31Å; D58-T79 WeakPolarHBondContact OD2-CG2 3.09Å; D58-T79 PolarHBondContact OD2-OG1 2.81Å; D58-Y94 PolarHBondContact OD2-OH 3.24Å
59	T	79	Confident	85.4	Confident	104 Å²	104	40.2 Å²	40.2	64%	0.638	21%	0.205	S	C	*	.			trans	-136.6	18.7	-178.6	66.8	0	0	0	0	112.1
60	K	85.3	Confident	84.8	Confident	14 Å²	14	42 Å²	42	6%	0.061	21%	0.213	C	C	.	.			trans	-76.9	149.1	179.9	-65.5	-177.7	-135.2	70.6	0	111.5	D58 T79 T81 T90 D92 W830	D58-K60 WeakPolarHBondContact OD1-CB 3.5Å; D58-K60 WeakPolarHBondContact OD1-CG 3.21Å; D58-K60 PolarHBondContact OD1-N 3.37Å; D58-K60 IonicContact OD1-NZ 3.61Å; D58-K60 PolarHBondContact OD1-NZ 2.96Å; D58-K60 IonicContact OD2-NZ 3.29Å; D58-K60 PolarHBondContact OD2-NZ 2.98Å; K60-T79 PolarHBondContact NZ-OG1 2.85Å; K60-T81 HydrophobicContact CB-CG2 3.72Å; K60-T81 HydrophobicContact CD-CG2 4.43Å; K60-T81 HydrophobicContact CG-CG2 3.78Å; K60-T90 VanDerWaalsContact CD-O 3.27Å; K60-T90 WeakPolarHBondContact CD-O 3.5Å; K60-T90 WeakPolarHBondContact CE-O 3.16Å; K60-D92 VanDerWaalsContact NZ-CG 3.26Å; K60-D92 IonicContact NZ-OD2 3.49Å; K60-D92 PolarHBondContact NZ-OD2 2.87Å; K60-W830 PolarHBondContact O-NE1 2.84Å
61	E	80.9	Confident	84.2	Confident	135 Å²	135	45.9 Å²	45.9	63%	0.631	24%	0.235	S	C	*	.	S	Bend	trans	-82.4	-20.4	-163.4	-61.3	176.8	160.1	0	0	114.5	M80 T81	E61-M80 PolarHBondContact N-O 2.98Å; E61-T81 HydrophobicContact CG-CG2 4.4Å
62	T	84.5	Confident	83.8	Confident	14 Å²	14	43.6 Å²	43.6	9%	0.086	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.5	-177.4	61.4	0	0	0	0	111.7	T79 M80	T62-T79 VanDerWaalsContact O-CA 3.31Å; T62-T79 WeakPolarHBondContact O-CA 3.35Å; T62-M80 PolarHBondContact N-O 3.35Å; T62-M80 PolarHBondContact O-N 3.19Å; T62-M80 VanDerWaalsContact OG1-C 3.28Å; T62-M80 WeakPolarHBondContact OG1-CB 3.49Å; T62-M80 PolarHBondContact OG1-O 3.44Å
63	I	87.7	Confident	83.6	Confident	18 Å²	18	42.9 Å²	42.9	9%	0.092	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	140	-177	-160.8	162.7	0	0	0	109.9	L77 V78 T79 T805 Y821 W830	I63-L77 HydrophobicContact CD1-CD1 3.8Å; I63-L77 HydrophobicContact CD1-CD2 3.98Å; I63-L77 HydrophobicContact CD1-CG 4.04Å; I63-L77 HydrophobicContact CG1-CD1 4.15Å; I63-L77 HydrophobicContact CG1-CD2 4.02Å; I63-L77 HydrophobicContact CG1-CG 3.92Å; I63-V78 CarbonylContact C-O 3.11Å; I63-V78 WeakPolarHBondContact CA-O 3.36Å; I63-T79 HydrophobicContact CB-CG2 4.47Å; I63-T79 HydrophobicContact CD1-CG2 4.04Å; I63-T79 HydrophobicContact CG1-CG2 3.93Å; I63-T805 HydrophobicContact CG2-CG2 4.41Å; I63-Y821 HydrophobicContact CG2-CD2 3.74Å; I63-Y821 HydrophobicContact CG2-CE2 3.64Å; I63-W830 HydrophobicContact CB-CD2 4.14Å; I63-W830 HydrophobicContact CB-CE3 4.18Å; I63-W830 HydrophobicContact CB-CH2 4.16Å; I63-W830 HydrophobicContact CB-CZ2 4.1Å; I63-W830 HydrophobicContact CB-CZ3 4.2Å; I63-W830 HydrophobicContact CD1-CB 4.04Å; I63-W830 HydrophobicContact CD1-CD2 3.71Å; I63-W830 HydrophobicContact CD1-CE3 3.83Å; I63-W830 HydrophobicContact CD1-CG 3.8Å; I63-W830 HydrophobicContact CG2-CD2 4.19Å; I63-W830 HydrophobicContact CG2-CE3 3.72Å; I63-W830 HydrophobicContact CG2-CH2 3.58Å; I63-W830 HydrophobicContact CG2-CZ2 4.04Å; I63-W830 HydrophobicContact CG2-CZ3 3.4Å
64	Q	85.6	Confident	83.6	Confident	50 Å²	50	41.5 Å²	41.5	23%	0.234	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.2	167.2	-173.1	179	9.2	0	0	108.3	L77 V78 M80	Q64-L77 CarbonylContact O-C 3.36Å; Q64-L77 VanDerWaalsContact O-CA 3.24Å; Q64-L77 WeakPolarHBondContact O-CA 3.21Å; Q64-V78 PolarHBondContact N-O 3.14Å; Q64-V78 PolarHBondContact O-N 3.39Å; Q64-M80 HydrophobicContact CB-CE 3.99Å
65	L	85.5	Confident	83.6	Confident	13 Å²	13	36.8 Å²	36.8	7%	0.068	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.7	179	177	62.4	0	0	0	108.5	L75 L77 F103 V808 Y821	L65-L75 HydrophobicContact CD1-CB 3.91Å; L65-L75 HydrophobicContact CD1-CD2 3.71Å; L65-L75 HydrophobicContact CD1-CG 4.46Å; L65-L75 HydrophobicContact CD2-CD2 4.25Å; L65-L75 HydrophobicContact CG-CD2 4.11Å; L65-L77 HydrophobicContact CD1-CB 3.87Å; L65-L77 HydrophobicContact CD1-CD1 3.93Å; L65-L77 HydrophobicContact CD1-CG 4.36Å; L65-F103 HydrophobicContact CD1-CE1 4Å; L65-F103 HydrophobicContact CD1-CZ 3.85Å; L65-V808 HydrophobicContact CD2-CG2 3.83Å; L65-V808 HydrophobicContact CG-CG2 4.41Å; L65-Y821 HydrophobicContact CB-CE1 4.5Å; L65-Y821 HydrophobicContact CD2-CD1 3.96Å; L65-Y821 HydrophobicContact CD2-CE1 4.37Å
66	T	83.3	Confident	83.7	Confident	22 Å²	22	36.7 Å²	36.7	14%	0.135	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	134	-173.6	-58.3	0	0	0	0	110.7	L75 I76	T66-L75 CarbonylContact O-C 3.45Å; T66-L75 WeakPolarHBondContact O-CA 3.24Å; T66-I76 PolarHBondContact N-O 2.87Å; T66-I76 PolarHBondContact O-N 2.69Å
67	W	82.8	Confident	84.1	Confident	12 Å²	12	34 Å²	34	5%	0.045	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	137.5	173.5	-66.4	87.1	0	0	0	110.5	V74 L75 N99 T809 E810 P811 A817	W67-V74 WeakPolarHBondContact CA-O 3.14Å; W67-L75 HydrophobicContact CD2-CD1 4.06Å; W67-L75 HydrophobicContact CD2-CD2 3.93Å; W67-L75 HydrophobicContact CD2-CG 3.67Å; W67-L75 HydrophobicContact CE3-CD1 3.59Å; W67-L75 HydrophobicContact CE3-CD2 4.32Å; W67-L75 HydrophobicContact CE3-CG 3.71Å; W67-L75 HydrophobicContact CG-CD2 4.45Å; W67-L75 HydrophobicContact CG-CG 4.2Å; W67-L75 HydrophobicContact CH2-CD1 3.81Å; W67-L75 HydrophobicContact CH2-CD2 4.29Å; W67-L75 HydrophobicContact CH2-CG 4.34Å; W67-L75 HydrophobicContact CZ2-CD1 4.24Å; W67-L75 HydrophobicContact CZ2-CD2 3.88Å; W67-L75 HydrophobicContact CZ2-CG 4.31Å; W67-L75 HydrophobicContact CZ3-CD1 3.46Å; W67-L75 VanDerWaalsContact CZ3-CD1 3.46Å; W67-L75 HydrophobicContact CZ3-CD2 4.49Å; W67-L75 HydrophobicContact CZ3-CG 4.05Å; W67-N99 HydrophobicContact CH2-CB 4.08Å; W67-N99 HydrophobicContact CZ3-CB 4.5Å; W67-T809 VanDerWaalsContact CD1-O 3.31Å; W67-T809 VanDerWaalsContact NE1-C 3.29Å; W67-T809 PolarHBondContact NE1-O 3.42Å; W67-E810 HydrophobicContact CD2-CB 4.24Å; W67-E810 HydrophobicContact CD2-CG 4.38Å; W67-E810 HydrophobicContact CE3-CB 4.39Å; W67-E810 HydrophobicContact CE3-CG 4.25Å; W67-P811 HydrophobicContact CB-CG 4.32Å; W67-A817 HydrophobicContact CH2-CB 4.39Å
68	A	86.3	Confident	84.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.			trans	-107.2	97.1	178.6	0	0	0	0	0	109.9	S72 V74 L134	A68-S72 WeakPolarHBondContact O-CB 3.25Å; A68-S72 PolarHBondContact O-OG 3.17Å; A68-V74 HydrophobicContact CB-CB 4.14Å; A68-V74 HydrophobicContact CB-CG1 3.83Å; A68-V74 PolarHBondContact N-O 3.12Å; A68-L134 HydrophobicContact CB-CD1 3.78Å; A68-L134 HydrophobicContact CB-CG 4.41Å
69	G	78.3	Confident	85	Confident	3 Å²	3	27.2 Å²	27.2	3%	0.031	15%	0.147	C	C	.	.	S	Bend	trans	75.4	160	-178.6	0	0	0	0	0	115.4	S72 D130 S131	G69-S72 PolarHBondContact O-OG 3.16Å; G69-D130 VanDerWaalsContact CA-O 3.23Å; G69-D130 WeakPolarHBondContact CA-O 3.43Å; G69-S131 WeakPolarHBondContact CA-O 3.15Å; G69-S131 PolarHBondContact N-O 3.27Å
70	E	76.8	Confident	85.5	Confident	37 Å²	37	22.6 Å²	22.6	17%	0.173	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	142.9	-176.5	-84	-172.3	-162.2	0	0	111.6	S72 D130 R814 Y889	E70-S72 PolarHBondContact O-N 2.9Å; E70-D130 HydrophobicContact CB-CB 3.87Å; E70-D130 HydrophobicContact CG-CB 4.09Å; E70-D130 PolarHBondContact N-O 3.28Å; E70-R814 IonicContact OE2-CZ 3.57Å; E70-R814 IonicContact OE2-NH1 3.49Å; E70-R814 PolarHBondContact OE2-NH1 3.38Å; E70-Y889 HydrophobicContact CB-CE1 3.97Å; E70-Y889 WeakPolarHBondContact CB-OH 3.2Å; E70-Y889 VanDerWaalsContact CG-OH 3.22Å; E70-Y889 WeakPolarHBondContact CG-OH 3.47Å; E70-Y889 WeakPolarHBondContact OE2-CE1 3.42Å; E70-Y889 PolarHBondContact OE2-OH 3.26Å
71	N	77.4	Confident	85.5	Confident	110 Å²	110	22.4 Å²	22.4	59%	0.588	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	21.5	-175.4	-168	42.8	0	0	0	114.3	E810 Y889	N71-E810 PolarHBondContact N-OE1 3.28Å; N71-Y889 HydrophobicContact CB-CD1 4.5Å; N71-Y889 HydrophobicContact CB-CD2 3.96Å; N71-Y889 HydrophobicContact CB-CE1 4.3Å; N71-Y889 HydrophobicContact CB-CE2 3.72Å; N71-Y889 HydrophobicContact CB-CG 4.36Å
72	S	83.1	Confident	85.2	Confident	25 Å²	25	18.7 Å²	18.7	18%	0.175	10%	0.101	C	C	.	.			trans	-83.9	-25.8	-169.3	71.8	0	0	0	0	114.1	A68 G69 E70 V74	A68-S72 WeakPolarHBondContact O-CB 3.25Å; A68-S72 PolarHBondContact O-OG 3.17Å; G69-S72 PolarHBondContact O-OG 3.16Å; E70-S72 PolarHBondContact O-N 2.9Å; S72-V74 PolarHBondContact O-N 2.66Å; S72-V74 PolarHBondContact OG-N 3.42Å
73	G	84.7	Confident	84.4	Confident	10 Å²	10	19.4 Å²	19.4	10%	0.103	11%	0.112	C	C	.	.			trans	72	-2.1	-166.5	0	0	0	0	0	115	D97 N98 N99	G73-D97 CarbonylContact O-C 3.48Å; G73-D97 WeakPolarHBondContact O-CA 3.35Å; G73-N98 PolarHBondContact O-N 3.46Å; G73-N98 VanDerWaalsContact O-N 3.12Å; G73-N99 WeakPolarHBondContact CA-OD1 3.44Å; G73-N99 PolarHBondContact O-N 2.8Å
74	V	90.1	Very high	83.1	Confident	4 Å²	4	24.7 Å²	24.7	2%	0.024	14%	0.136	C	C	.	.			trans	-93.1	130.1	-170	-176	0	0	0	0	111.9	W67 A68 S72 S96 D97 G155	W67-V74 WeakPolarHBondContact CA-O 3.14Å; A68-V74 HydrophobicContact CB-CB 4.14Å; A68-V74 HydrophobicContact CB-CG1 3.83Å; A68-V74 PolarHBondContact N-O 3.12Å; S72-V74 PolarHBondContact O-N 2.66Å; S72-V74 PolarHBondContact OG-N 3.42Å; V74-S96 CarbonylContact C-O 3.56Å; V74-S96 VanDerWaalsContact CA-O 3.25Å; V74-S96 WeakPolarHBondContact CA-O 3.37Å; V74-D97 HydrophobicContact CG2-CB 4.49Å; V74-G155 WeakPolarHBondContact CG1-O 3.37Å
75	L	90	Very high	81.9	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.6	169.9	-58.3	80.8	0	0	0	110.1	L65 T66 W67 R95 S96 F103	L65-L75 HydrophobicContact CD1-CB 3.91Å; L65-L75 HydrophobicContact CD1-CD2 3.71Å; L65-L75 HydrophobicContact CD1-CG 4.46Å; L65-L75 HydrophobicContact CD2-CD2 4.25Å; L65-L75 HydrophobicContact CG-CD2 4.11Å; T66-L75 CarbonylContact O-C 3.45Å; T66-L75 WeakPolarHBondContact O-CA 3.24Å; W67-L75 HydrophobicContact CD2-CD1 4.06Å; W67-L75 HydrophobicContact CD2-CD2 3.93Å; W67-L75 HydrophobicContact CD2-CG 3.67Å; W67-L75 HydrophobicContact CE3-CD1 3.59Å; W67-L75 HydrophobicContact CE3-CD2 4.32Å; W67-L75 HydrophobicContact CE3-CG 3.71Å; W67-L75 HydrophobicContact CG-CD2 4.45Å; W67-L75 HydrophobicContact CG-CG 4.2Å; W67-L75 HydrophobicContact CH2-CD1 3.81Å; W67-L75 HydrophobicContact CH2-CD2 4.29Å; W67-L75 HydrophobicContact CH2-CG 4.34Å; W67-L75 HydrophobicContact CZ2-CD1 4.24Å; W67-L75 HydrophobicContact CZ2-CD2 3.88Å; W67-L75 HydrophobicContact CZ2-CG 4.31Å; W67-L75 HydrophobicContact CZ3-CD1 3.46Å; W67-L75 VanDerWaalsContact CZ3-CD1 3.46Å; W67-L75 HydrophobicContact CZ3-CD2 4.49Å; W67-L75 HydrophobicContact CZ3-CG 4.05Å; L75-R95 WeakPolarHBondContact O-CA 3.4Å; L75-S96 PolarHBondContact N-O 3.25Å; L75-S96 PolarHBondContact O-N 2.76Å; L75-F103 HydrophobicContact CB-CE1 4.31Å
76	I	91.3	Very high	80.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138.1	165.8	-56.1	-56.6	0	0	0	108.5	T66 I93 Y94 R95 L122 L134	T66-I76 PolarHBondContact N-O 2.87Å; T66-I76 PolarHBondContact O-N 2.69Å; I76-I93 HydrophobicContact CG2-CG2 3.67Å; I76-Y94 WeakPolarHBondContact CA-O 3.42Å; I76-R95 HydrophobicContact CD1-CB 3.81Å; I76-R95 HydrophobicContact CD1-CG 3.75Å; I76-L122 HydrophobicContact CB-CD1 4.08Å; I76-L122 HydrophobicContact CG2-CD1 3.9Å; I76-L122 HydrophobicContact CG2-CD2 4.11Å; I76-L134 HydrophobicContact CB-CD1 4.1Å; I76-L134 HydrophobicContact CG1-CD1 3.56Å
77	L	91.5	Very high	80.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.3	179.8	176.7	153.1	0	0	0	109	F55 I63 Q64 L65 T79 I93 Y94 F103 V832	F55-L77 HydrophobicContact CE1-CD1 4.18Å; F55-L77 HydrophobicContact CE1-CD2 3.74Å; F55-L77 HydrophobicContact CE2-CD1 4.06Å; F55-L77 HydrophobicContact CZ-CD1 3.46Å; F55-L77 VanDerWaalsContact CZ-CD1 3.46Å; F55-L77 HydrophobicContact CZ-CD2 3.91Å; F55-L77 HydrophobicContact CZ-CG 4.32Å; I63-L77 HydrophobicContact CD1-CD1 3.8Å; I63-L77 HydrophobicContact CD1-CD2 3.98Å; I63-L77 HydrophobicContact CD1-CG 4.04Å; I63-L77 HydrophobicContact CG1-CD1 4.15Å; I63-L77 HydrophobicContact CG1-CD2 4.02Å; I63-L77 HydrophobicContact CG1-CG 3.92Å; Q64-L77 CarbonylContact O-C 3.36Å; Q64-L77 VanDerWaalsContact O-CA 3.24Å; Q64-L77 WeakPolarHBondContact O-CA 3.21Å; L65-L77 HydrophobicContact CD1-CB 3.87Å; L65-L77 HydrophobicContact CD1-CD1 3.93Å; L65-L77 HydrophobicContact CD1-CG 4.36Å; L77-T79 HydrophobicContact CD2-CG2 4.01Å; L77-I93 CarbonylContact O-C 3.59Å; L77-I93 WeakPolarHBondContact O-CA 3.41Å; L77-Y94 HydrophobicContact CD2-CD2 3.59Å; L77-Y94 HydrophobicContact CD2-CE2 4.38Å; L77-Y94 HydrophobicContact CD2-CG 4.12Å; L77-Y94 PolarHBondContact N-O 2.94Å; L77-Y94 PolarHBondContact O-N 3.27Å; L77-F103 HydrophobicContact CB-CD1 4.17Å; L77-F103 HydrophobicContact CB-CE1 3.78Å; L77-F103 HydrophobicContact CD1-CD1 4.47Å; L77-F103 HydrophobicContact CD1-CE1 3.99Å; L77-F103 HydrophobicContact CD1-CZ 4.03Å; L77-V832 HydrophobicContact CD1-CG2 4.12Å
78	V	90.7	Very high	79.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.9	177.2	-172.1	0	0	0	0	109	I63 Q64 M80 D92 I93 I116 L122	I63-V78 CarbonylContact C-O 3.11Å; I63-V78 WeakPolarHBondContact CA-O 3.36Å; Q64-V78 PolarHBondContact N-O 3.14Å; Q64-V78 PolarHBondContact O-N 3.39Å; V78-M80 HydrophobicContact CG1-CG 3.64Å; V78-M80 HydrophobicContact CG1-SD 4.17Å; V78-D92 CarbonylContact C-O 3.56Å; V78-D92 WeakPolarHBondContact CA-O 3.39Å; V78-I93 HydrophobicContact CG1-CG1 4.44Å; V78-I93 HydrophobicContact CG2-CG1 4.24Å; V78-I93 HydrophobicContact CG2-CG2 4.42Å; V78-I116 HydrophobicContact CG1-CB 4.36Å; V78-I116 HydrophobicContact CG1-CD1 3.53Å; V78-I116 HydrophobicContact CG1-CG2 4.49Å; V78-I116 HydrophobicContact CG2-CD1 4.4Å; V78-L122 HydrophobicContact CG2-CD1 4.03Å; V78-L122 HydrophobicContact CG2-CD2 3.48Å; V78-L122 VanDerWaalsContact CG2-CD2 3.48Å; V78-L122 HydrophobicContact CG2-CG 3.7Å
79	T	89.8	Confident	79.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.5	166.5	60.2	0	0	0	0	110.6	D58 K60 T62 I63 L77 S91 D92 Y94	D58-T79 WeakPolarHBondContact OD2-CB 3.42Å; D58-T79 VanDerWaalsContact OD2-CG2 3.31Å; D58-T79 WeakPolarHBondContact OD2-CG2 3.09Å; D58-T79 PolarHBondContact OD2-OG1 2.81Å; K60-T79 PolarHBondContact NZ-OG1 2.85Å; T62-T79 VanDerWaalsContact O-CA 3.31Å; T62-T79 WeakPolarHBondContact O-CA 3.35Å; I63-T79 HydrophobicContact CB-CG2 4.47Å; I63-T79 HydrophobicContact CD1-CG2 4.04Å; I63-T79 HydrophobicContact CG1-CG2 3.93Å; L77-T79 HydrophobicContact CD2-CG2 4.01Å; T79-S91 VanDerWaalsContact O-CA 3.25Å; T79-S91 WeakPolarHBondContact O-CA 3.38Å; T79-S91 VanDerWaalsContact O-CB 3.3Å; T79-S91 WeakPolarHBondContact O-CB 3.43Å; T79-D92 PolarHBondContact N-O 3.44Å; T79-D92 PolarHBondContact O-N 2.88Å; T79-Y94 HydrophobicContact CG2-CE2 4.47Å
80	M	89	Confident	80.1	Confident	7 Å²	7	39 Å²	39	3%	0.034	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	162	-168.9	-54.5	172.9	-76.4	0	0	111.1	E61 T62 Q64 V78 I116	E61-M80 PolarHBondContact N-O 2.98Å; T62-M80 PolarHBondContact N-O 3.35Å; T62-M80 PolarHBondContact O-N 3.19Å; T62-M80 VanDerWaalsContact OG1-C 3.28Å; T62-M80 WeakPolarHBondContact OG1-CB 3.49Å; T62-M80 PolarHBondContact OG1-O 3.44Å; Q64-M80 HydrophobicContact CB-CE 3.99Å; V78-M80 HydrophobicContact CG1-CG 3.64Å; V78-M80 HydrophobicContact CG1-SD 4.17Å; M80-I116 HydrophobicContact CG-CB 4.33Å; M80-I116 HydrophobicContact CG-CG2 4.45Å; M80-I116 HydrophobicContact SD-CB 4.26Å; M80-I116 HydrophobicContact SD-CG2 3.75Å
81	T	85.7	Confident	80.8	Confident	11 Å²	11	37.2 Å²	37.2	7%	0.067	24%	0.235	C	C	.	.			trans	-135.6	145.8	173.8	55.6	0	0	0	0	111.2	K60 E61 G88 L89 Y115	K60-T81 HydrophobicContact CB-CG2 3.72Å; K60-T81 HydrophobicContact CD-CG2 4.43Å; K60-T81 HydrophobicContact CG-CG2 3.78Å; E61-T81 HydrophobicContact CG-CG2 4.4Å; T81-G88 WeakPolarHBondContact OG1-CA 3.29Å; T81-L89 HydrophobicContact CG2-CB 4.2Å; T81-L89 HydrophobicContact CG2-CD1 4.43Å; T81-L89 HydrophobicContact CG2-CG 4.5Å; T81-L89 PolarHBondContact OG1-N 3.1Å; T81-L89 PolarHBondContact OG1-O 3.27Å; T81-Y115 WeakPolarHBondContact O-CE2 3.22Å; T81-Y115 PolarHBondContact O-OH 3.09Å
82	E	76.2	Confident	81.5	Confident	56 Å²	56	32.8 Å²	32.8	26%	0.262	21%	0.211	S	C	.	.			trans	-101	111.8	-180	-163	169.5	144.7	0	0	108.5	R118 T1091	E82-R118 WeakPolarHBondContact OE2-CD 3.28Å; E82-R118 IonicContact OE2-CZ 2.62Å; E82-R118 IonicContact OE2-NE 3.46Å; E82-R118 IonicContact OE2-NH1 3.76Å; E82-R118 PolarHBondContact OE2-NH1 2.62Å; E82-T1091 WeakPolarHBondContact OE1-CB 3.21Å; E82-T1091 WeakPolarHBondContact OE1-CG2 3.44Å; E82-T1091 PolarHBondContact OE1-OG1 3.04Å
83	G	65.8	Low	81.9	Confident	30 Å²	30	31.6 Å²	31.6	31%	0.309	20%	0.203	S	C	.	.			trans	-88.5	118.2	-176.4	0	0	0	0	0	111.9	S85 G86	G83-S85 PolarHBondContact O-N 3.1Å; G83-G86 CarbonylContact C-O 3.6Å; G83-G86 VanDerWaalsContact CA-O 3.29Å; G83-G86 WeakPolarHBondContact CA-O 3.31Å; G83-G86 PolarHBondContact O-N 3.01Å; G83-G86 VanDerWaalsContact O-O 3.1Å
84	E	62	Low	82.3	Confident	129 Å²	129	31.8 Å²	31.8	60%	0.603	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-13.4	-176.4	-61.6	-169.8	122.6	0	0	115.4	T1095	E84-T1095 VanDerWaalsContact OE1-CB 3.3Å; E84-T1095 WeakPolarHBondContact OE1-CB 3.45Å; E84-T1095 WeakPolarHBondContact OE1-CG2 3.36Å; E84-T1095 PolarHBondContact OE1-OG1 2.86Å
85	S	59.7	Low	82.5	Confident	131 Å²	131	33.3 Å²	33.3	92%	0.916	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-151.9	22.3	179.7	-63.9	0	0	0	0	113.8	G83	G83-S85 PolarHBondContact O-N 3.1Å
86	G	65.3	Low	82.7	Confident	40 Å²	40	33.3 Å²	33.3	41%	0.412	21%	0.206	S	C	.	.	S	Bend	trans	167.3	-171.1	-176.1	0	0	0	0	0	113.1	G83	G83-G86 CarbonylContact C-O 3.6Å; G83-G86 VanDerWaalsContact CA-O 3.29Å; G83-G86 WeakPolarHBondContact CA-O 3.31Å; G83-G86 PolarHBondContact O-N 3.01Å; G83-G86 VanDerWaalsContact O-O 3.1Å
87	P	68.3	Low	82.7	Confident	37 Å²	37	37.6 Å²	37.6	24%	0.24	23%	0.229	C	C	.	.			trans	-61.4	139.4	168.7	27.4	-32.7	0	0	0	110.3	Y115 Y139 V141	P87-Y115 HydrophobicContact CB-CD1 3.55Å; P87-Y115 HydrophobicContact CB-CE1 3.65Å; P87-Y115 HydrophobicContact CB-CG 4.07Å; P87-Y139 HydrophobicContact CB-CD1 4.43Å; P87-Y139 HydrophobicContact CB-CE1 4.48Å; P87-Y139 HydrophobicContact CG-CE1 4.48Å; P87-V141 HydrophobicContact CB-CG1 4.39Å; P87-V141 HydrophobicContact CB-CG2 3.86Å; P87-V141 HydrophobicContact CG-CB 4.45Å; P87-V141 HydrophobicContact CG-CG1 3.85Å; P87-V141 HydrophobicContact CG-CG2 4.15Å
88	G	75.2	Confident	82.7	Confident	29 Å²	29	40.1 Å²	40.1	30%	0.299	24%	0.243	S	C	.	.			trans	-79.5	-153.1	177.9	0	0	0	0	0	113.4	T81 Y115	T81-G88 WeakPolarHBondContact OG1-CA 3.29Å; G88-Y115 VanDerWaalsContact N-CE2 3.33Å; G88-Y115 VanDerWaalsContact N-CZ 3.33Å; G88-Y115 PolarHBondContact N-OH 2.81Å
89	L	82.1	Confident	82.5	Confident	107 Å²	107	41.7 Å²	41.7	56%	0.56	25%	0.251	S	S	*	.	S	Bend	trans	-63.9	148.4	166.8	-59.7	179.4	0	0	0	110.2	T81 Y115	T81-L89 HydrophobicContact CG2-CB 4.2Å; T81-L89 HydrophobicContact CG2-CD1 4.43Å; T81-L89 HydrophobicContact CG2-CG 4.5Å; T81-L89 PolarHBondContact OG1-N 3.1Å; T81-L89 PolarHBondContact OG1-O 3.27Å; L89-Y115 VanDerWaalsContact O-CD2 3.3Å; L89-Y115 WeakPolarHBondContact O-CD2 3.18Å
90	T	87.8	Confident	82.5	Confident	55 Å²	55	41.7 Å²	41.7	34%	0.337	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-55.2	142	174.2	52.8	0	0	0	0	110.8	K60 N113 I114	K60-T90 VanDerWaalsContact CD-O 3.27Å; K60-T90 WeakPolarHBondContact CD-O 3.5Å; K60-T90 WeakPolarHBondContact CE-O 3.16Å; T90-N113 HydrophobicContact CG2-CB 4.36Å; T90-I114 CarbonylContact C-O 3.59Å; T90-I114 WeakPolarHBondContact CA-O 3.3Å; T90-I114 VanDerWaalsContact CB-O 3.25Å; T90-I114 WeakPolarHBondContact CB-O 3.17Å
91	S	90.7	Very high	82.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-79.1	149.2	-179	-61.3	0	0	0	0	111.2	T79 T107 I114 I116	T79-S91 VanDerWaalsContact O-CA 3.25Å; T79-S91 WeakPolarHBondContact O-CA 3.38Å; T79-S91 VanDerWaalsContact O-CB 3.3Å; T79-S91 WeakPolarHBondContact O-CB 3.43Å; S91-T107 WeakPolarHBondContact O-CG2 3.09Å; S91-I114 PolarHBondContact N-O 3.49Å; S91-I116 WeakPolarHBondContact OG-CB 3.43Å; S91-I116 PolarHBondContact OG-N 3.42Å
92	D	91.7	Very high	82.9	Confident	17 Å²	17	44.8 Å²	44.8	9%	0.091	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.8	167.1	-77.9	-44	0	0	0	111.4	K60 V78 T79 Y94 K105 T107	K60-D92 VanDerWaalsContact NZ-CG 3.26Å; K60-D92 IonicContact NZ-OD2 3.49Å; K60-D92 PolarHBondContact NZ-OD2 2.87Å; V78-D92 CarbonylContact C-O 3.56Å; V78-D92 WeakPolarHBondContact CA-O 3.39Å; T79-D92 PolarHBondContact N-O 3.44Å; T79-D92 PolarHBondContact O-N 2.88Å; D92-Y94 HydrophobicContact CB-CD2 4.32Å; D92-Y94 HydrophobicContact CB-CE2 3.6Å; D92-K105 WeakPolarHBondContact OD1-CE 3.3Å; D92-K105 IonicContact OD1-NZ 3.52Å; D92-K105 PolarHBondContact OD1-NZ 3.23Å; D92-K105 IonicContact OD2-NZ 3.98Å; D92-K105 PolarHBondContact OD2-NZ 2.96Å; D92-T107 WeakPolarHBondContact CA-OG1 3.49Å; D92-T107 WeakPolarHBondContact OD1-CG2 3.24Å; D92-T107 PolarHBondContact OD1-OG1 3.39Å
93	I	92.3	Very high	83.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.5	173.3	-49.4	-174.4	0	0	0	109.1	I76 L77 V78 I106 T107 L110 I114 I116 V136	I76-I93 HydrophobicContact CG2-CG2 3.67Å; L77-I93 CarbonylContact O-C 3.59Å; L77-I93 WeakPolarHBondContact O-CA 3.41Å; V78-I93 HydrophobicContact CG1-CG1 4.44Å; V78-I93 HydrophobicContact CG2-CG1 4.24Å; V78-I93 HydrophobicContact CG2-CG2 4.42Å; I93-I106 HydrophobicContact CB-CG1 4.06Å; I93-I106 HydrophobicContact CG2-CD1 3.81Å; I93-I106 HydrophobicContact CG2-CG1 3.81Å; I93-I106 WeakPolarHBondContact O-CG1 3.31Å; I93-I106 PolarHBondContact O-N 3.01Å; I93-T107 PolarHBondContact N-OG1 2.76Å; I93-T107 PolarHBondContact O-N 2.76Å; I93-L110 HydrophobicContact CD1-CD1 4.14Å; I93-L110 HydrophobicContact CD1-CD2 3.5Å; I93-L110 HydrophobicContact CD1-CG 4.45Å; I93-I114 HydrophobicContact CD1-CD1 3.88Å; I93-I114 HydrophobicContact CG1-CD1 4Å; I93-I116 HydrophobicContact CD1-CD1 3.82Å; I93-I116 HydrophobicContact CG1-CD1 4Å; I93-V136 HydrophobicContact CD1-CG1 3.99Å; I93-V136 HydrophobicContact CD1-CG2 4.45Å
94	Y	93.1	Very high	85	Confident	14 Å²	14	44.9 Å²	44.9	6%	0.055	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.2	177.7	-61.5	-99.9	0	0	0	110.6	F55 D58 I76 L77 T79 D92 F103 T104 K105	F55-Y94 AromaticContact CD1-CD1 3.99Å; F55-Y94 HydrophobicContact CD1-CD1 3.99Å; F55-Y94 HydrophobicContact CD1-CD2 4.24Å; F55-Y94 AromaticContact CD1-CE1 3.76Å; F55-Y94 HydrophobicContact CD1-CE1 3.76Å; F55-Y94 HydrophobicContact CD1-CE2 4.02Å; F55-Y94 HydrophobicContact CD1-CG 4.23Å; F55-Y94 AromaticContact CD1-CZ 3.78Å; F55-Y94 AromaticContact CE1-CD1 3.73Å; F55-Y94 HydrophobicContact CE1-CD1 3.73Å; F55-Y94 AromaticContact CE1-CD2 3.96Å; F55-Y94 HydrophobicContact CE1-CD2 3.96Å; F55-Y94 HydrophobicContact CE1-CE1 4.01Å; F55-Y94 HydrophobicContact CE1-CE2 4.22Å; F55-Y94 AromaticContact CE1-CG 3.71Å; F55-Y94 HydrophobicContact CE1-CG 3.71Å; D58-Y94 PolarHBondContact OD2-OH 3.24Å; I76-Y94 WeakPolarHBondContact CA-O 3.42Å; L77-Y94 HydrophobicContact CD2-CD2 3.59Å; L77-Y94 HydrophobicContact CD2-CE2 4.38Å; L77-Y94 HydrophobicContact CD2-CG 4.12Å; L77-Y94 PolarHBondContact N-O 2.94Å; L77-Y94 PolarHBondContact O-N 3.27Å; T79-Y94 HydrophobicContact CG2-CE2 4.47Å; D92-Y94 HydrophobicContact CB-CD2 4.32Å; D92-Y94 HydrophobicContact CB-CE2 3.6Å; Y94-F103 HydrophobicContact CD1-CB 4.49Å; Y94-T104 CarbonylContact C-O 3.57Å; Y94-T104 WeakPolarHBondContact CA-O 3.2Å; Y94-T104 WeakPolarHBondContact CB-O 3.4Å; Y94-K105 HydrophobicContact CD1-CB 3.77Å; Y94-K105 HydrophobicContact CD1-CG 4.26Å; Y94-K105 HydrophobicContact CE1-CB 3.63Å; Y94-K105 HydrophobicContact CE1-CD 4.15Å; Y94-K105 HydrophobicContact CE1-CG 3.93Å
95	R	94.5	Very high	86.5	Confident	36 Å²	36	44.1 Å²	44.1	14%	0.136	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.9	177.5	177.2	177.4	177.3	-74.1	8.2	111.2	L75 I76 D97 F103 T104 I106 G155 G156 S157	L75-R95 WeakPolarHBondContact O-CA 3.4Å; I76-R95 HydrophobicContact CD1-CB 3.81Å; I76-R95 HydrophobicContact CD1-CG 3.75Å; R95-D97 IonicContact CZ-OD2 3.98Å; R95-D97 IonicContact NH1-OD2 2.78Å; R95-D97 PolarHBondContact NH1-OD2 3.45Å; R95-F103 WeakPolarHBondContact O-CA 3.27Å; R95-T104 PolarHBondContact N-O 2.68Å; R95-T104 PolarHBondContact O-N 2.93Å; R95-T104 PolarHBondContact O-OG1 3.28Å; R95-I106 HydrophobicContact CB-CD1 3.94Å; R95-I106 HydrophobicContact CB-CG1 4.3Å; R95-I106 HydrophobicContact CB-CG2 4.08Å; R95-G155 WeakPolarHBondContact CD-O 3.49Å; R95-G155 PolarHBondContact NE-O 3.15Å; R95-G156 VanDerWaalsContact CD-O 3.25Å; R95-G156 WeakPolarHBondContact CD-O 3.34Å; R95-S157 PolarHBondContact NH2-OG 3.33Å
96	S	93.9	Very high	88	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	148.3	164.1	-176.9	0	0	0	0	109.2	V74 L75 N98 G100 T102	V74-S96 CarbonylContact C-O 3.56Å; V74-S96 VanDerWaalsContact CA-O 3.25Å; V74-S96 WeakPolarHBondContact CA-O 3.37Å; L75-S96 PolarHBondContact N-O 3.25Å; L75-S96 PolarHBondContact O-N 2.76Å; S96-N98 PolarHBondContact OG-N 3.21Å; S96-N98 PolarHBondContact OG-OD1 2.81Å; S96-G100 VanDerWaalsContact OG-CA 3.24Å; S96-G100 WeakPolarHBondContact OG-CA 3.39Å; S96-G100 PolarHBondContact OG-N 2.86Å; S96-T102 WeakPolarHBondContact CA-O 3.37Å; S96-T102 WeakPolarHBondContact CB-O 2.91Å; S96-T102 PolarHBondContact OG-O 2.84Å
97	D	92.1	Very high	89.3	Confident	90 Å²	90	36.4 Å²	36.4	48%	0.481	20%	0.199	S	C	.	.	S	Bend	trans	-125.2	16.5	171.5	43.2	26.1	0	0	0	111.9	G73 V74 R95	G73-D97 CarbonylContact O-C 3.48Å; G73-D97 WeakPolarHBondContact O-CA 3.35Å; V74-D97 HydrophobicContact CG2-CB 4.49Å; R95-D97 IonicContact CZ-OD2 3.98Å; R95-D97 IonicContact NH1-OD2 2.78Å; R95-D97 PolarHBondContact NH1-OD2 3.45Å
98	N	90.6	Very high	90.1	Very high	54 Å²	54	41.4 Å²	41.4	29%	0.289	22%	0.219	S	C	.	.	S	Bend	trans	-139.4	50.9	-176	62.9	10	0	0	0	113	G73 S96 G100 K101 T102	G73-N98 PolarHBondContact O-N 3.46Å; G73-N98 VanDerWaalsContact O-N 3.12Å; S96-N98 PolarHBondContact OG-N 3.21Å; S96-N98 PolarHBondContact OG-OD1 2.81Å; N98-G100 PolarHBondContact O-N 3.14Å; N98-G100 VanDerWaalsContact O-N 3.16Å; N98-K101 WeakPolarHBondContact O-CB 3.33Å; N98-K101 WeakPolarHBondContact O-CD 3.43Å; N98-K101 WeakPolarHBondContact O-CG 3.32Å; N98-K101 PolarHBondContact O-N 2.89Å; N98-K101 PolarHBondContact OD1-N 3.49Å; N98-T102 PolarHBondContact ND2-OG1 2.8Å; N98-T102 PolarHBondContact OD1-N 2.87Å; N98-T102 PolarHBondContact OD1-O 2.86Å; N98-T102 PolarHBondContact OD1-OG1 3.07Å
99	N	87.2	Confident	90.5	Very high	33 Å²	33	45.5 Å²	45.5	18%	0.176	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	20.1	177.6	-63.6	-24.8	0	0	0	114.2	W67 G73 A817 V834 D836	W67-N99 HydrophobicContact CH2-CB 4.08Å; W67-N99 HydrophobicContact CZ3-CB 4.5Å; G73-N99 WeakPolarHBondContact CA-OD1 3.44Å; G73-N99 PolarHBondContact O-N 2.8Å; N99-A817 HydrophobicContact CB-CB 4.03Å; N99-V834 VanDerWaalsContact O-CG1 3.3Å; N99-V834 WeakPolarHBondContact O-CG1 3.28Å; N99-V834 WeakPolarHBondContact O-CG2 3.48Å; N99-D836 PolarHBondContact ND2-OD2 2.7Å
100	G	88.7	Confident	90.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	5.3	-179.1	0	0	0	0	0	114.6	S96 N98 T102 F103	S96-G100 VanDerWaalsContact OG-CA 3.24Å; S96-G100 WeakPolarHBondContact OG-CA 3.39Å; S96-G100 PolarHBondContact OG-N 2.86Å; N98-G100 PolarHBondContact O-N 3.14Å; N98-G100 VanDerWaalsContact O-N 3.16Å; G100-T102 VanDerWaalsContact C-N 3.32Å; G100-T102 PolarHBondContact O-N 2.8Å; G100-F103 VanDerWaalsContact O-CE2 3.22Å; G100-F103 WeakPolarHBondContact O-CE2 3.2Å
101	K	90	Very high	90.3	Very high	25 Å²	25	39.2 Å²	39.2	11%	0.109	20%	0.202	C	C	.	.	S	Bend	trans	-66.2	-34.5	-177.7	-67.4	171.1	174.1	-134.2	0	112.3	E51 N98 V834 D836 T839 N840	E51-K101 HydrophobicContact CB-CG 4.38Å; E51-K101 IonicContact OE1-NZ 2.78Å; E51-K101 PolarHBondContact OE1-NZ 3.39Å; E51-K101 WeakPolarHBondContact OE2-CD 3.46Å; E51-K101 WeakPolarHBondContact OE2-CG 3.34Å; E51-K101 IonicContact OE2-NZ 3.86Å; N98-K101 WeakPolarHBondContact O-CB 3.33Å; N98-K101 WeakPolarHBondContact O-CD 3.43Å; N98-K101 WeakPolarHBondContact O-CG 3.32Å; N98-K101 PolarHBondContact O-N 2.89Å; N98-K101 PolarHBondContact OD1-N 3.49Å; K101-V834 HydrophobicContact CG-CB 4.36Å; K101-V834 HydrophobicContact CG-CG1 4.21Å; K101-D836 IonicContact NZ-OD2 2.62Å; K101-T839 PolarHBondContact NZ-OG1 2.82Å; K101-N840 PolarHBondContact NZ-OD1 2.9Å
102	T	93.2	Very high	89.3	Confident	57 Å²	57	45.1 Å²	45.1	35%	0.35	23%	0.229	S	C	.	.	S	Bend	trans	-137.5	142.9	167.2	58.4	0	0	0	0	111.4	S96 N98 G100	S96-T102 WeakPolarHBondContact CA-O 3.37Å; S96-T102 WeakPolarHBondContact CB-O 2.91Å; S96-T102 PolarHBondContact OG-O 2.84Å; N98-T102 PolarHBondContact ND2-OG1 2.8Å; N98-T102 PolarHBondContact OD1-N 2.87Å; N98-T102 PolarHBondContact OD1-O 2.86Å; N98-T102 PolarHBondContact OD1-OG1 3.07Å; G100-T102 VanDerWaalsContact C-N 3.32Å; G100-T102 PolarHBondContact O-N 2.8Å
103	F	93.1	Very high	88.7	Confident	14 Å²	14	49.8 Å²	49.8	6%	0.061	25%	0.254	C	S	.	.			trans	-114.1	142.2	171.6	-70.8	-95.2	0	0	0	111.3	F53 F55 L65 L75 L77 Y94 R95 G100 V832	F53-F103 HydrophobicContact CB-CD2 4.41Å; F53-F103 HydrophobicContact CD1-CB 4.2Å; F53-F103 AromaticContact CD1-CD2 3.77Å; F53-F103 HydrophobicContact CD1-CD2 3.77Å; F53-F103 HydrophobicContact CD1-CG 4.43Å; F53-F103 HydrophobicContact CE1-CB 3.75Å; F53-F103 HydrophobicContact CE1-CD2 4.21Å; F53-F103 HydrophobicContact CE1-CG 4.42Å; F53-F103 HydrophobicContact CE2-CB 4.39Å; F53-F103 HydrophobicContact CG-CD2 4.03Å; F53-F103 HydrophobicContact CZ-CB 3.85Å; F53-F103 VanDerWaalsContact CZ-O 3.31Å; F53-F103 WeakPolarHBondContact CZ-O 3.42Å; F55-F103 HydrophobicContact CE1-CB 4.15Å; F55-F103 HydrophobicContact CE1-CG 4.25Å; F55-F103 HydrophobicContact CE2-CD2 4.48Å; F55-F103 HydrophobicContact CZ-CB 4.18Å; F55-F103 HydrophobicContact CZ-CD1 4.38Å; F55-F103 AromaticContact CZ-CD2 3.75Å; F55-F103 HydrophobicContact CZ-CD2 3.75Å; F55-F103 HydrophobicContact CZ-CE2 4.2Å; F55-F103 AromaticContact CZ-CG 3.85Å; F55-F103 HydrophobicContact CZ-CG 3.85Å; L65-F103 HydrophobicContact CD1-CE1 4Å; L65-F103 HydrophobicContact CD1-CZ 3.85Å; L75-F103 HydrophobicContact CB-CE1 4.31Å; L77-F103 HydrophobicContact CB-CD1 4.17Å; L77-F103 HydrophobicContact CB-CE1 3.78Å; L77-F103 HydrophobicContact CD1-CD1 4.47Å; L77-F103 HydrophobicContact CD1-CE1 3.99Å; L77-F103 HydrophobicContact CD1-CZ 4.03Å; Y94-F103 HydrophobicContact CD1-CB 4.49Å; R95-F103 WeakPolarHBondContact O-CA 3.27Å; G100-F103 VanDerWaalsContact O-CE2 3.22Å; G100-F103 WeakPolarHBondContact O-CE2 3.2Å; F103-V832 HydrophobicContact CE2-CB 4.08Å; F103-V832 HydrophobicContact CE2-CG1 4.16Å; F103-V832 HydrophobicContact CE2-CG2 4.04Å; F103-V832 HydrophobicContact CZ-CG2 4.41Å
104	T	93.8	Very high	88.5	Confident	75 Å²	75	50 Å²	50	46%	0.46	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.2	169.9	57	0	0	0	0	108.8	Y94 R95	Y94-T104 CarbonylContact C-O 3.57Å; Y94-T104 WeakPolarHBondContact CA-O 3.2Å; Y94-T104 WeakPolarHBondContact CB-O 3.4Å; R95-T104 PolarHBondContact N-O 2.68Å; R95-T104 PolarHBondContact O-N 2.93Å; R95-T104 PolarHBondContact O-OG1 3.28Å
105	K	92.7	Very high	88.3	Confident	112 Å²	112	50 Å²	50	49%	0.487	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.3	176	-177.2	171.9	167.9	161.6	0	108.9	D92 Y94 T107	D92-K105 WeakPolarHBondContact OD1-CE 3.3Å; D92-K105 IonicContact OD1-NZ 3.52Å; D92-K105 PolarHBondContact OD1-NZ 3.23Å; D92-K105 IonicContact OD2-NZ 3.98Å; D92-K105 PolarHBondContact OD2-NZ 2.96Å; Y94-K105 HydrophobicContact CD1-CB 3.77Å; Y94-K105 HydrophobicContact CD1-CG 4.26Å; Y94-K105 HydrophobicContact CE1-CB 3.63Å; Y94-K105 HydrophobicContact CE1-CD 4.15Å; Y94-K105 HydrophobicContact CE1-CG 3.93Å; K105-T107 VanDerWaalsContact CE-OG1 3.28Å; K105-T107 WeakPolarHBondContact CE-OG1 3.23Å
106	I	92.3	Very high	88	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.041	25%	0.249	C	C	.	.			trans	-113.1	1.2	-175.2	59.3	160.2	0	0	0	113.8	I93 R95 Q108 Q109 W159	I93-I106 HydrophobicContact CB-CG1 4.06Å; I93-I106 HydrophobicContact CG2-CD1 3.81Å; I93-I106 HydrophobicContact CG2-CG1 3.81Å; I93-I106 WeakPolarHBondContact O-CG1 3.31Å; I93-I106 PolarHBondContact O-N 3.01Å; R95-I106 HydrophobicContact CB-CD1 3.94Å; R95-I106 HydrophobicContact CB-CG1 4.3Å; R95-I106 HydrophobicContact CB-CG2 4.08Å; I106-Q108 PolarHBondContact O-N 2.78Å; I106-Q109 VanDerWaalsContact O-CB 3.31Å; I106-Q109 WeakPolarHBondContact O-CB 3.32Å; I106-Q109 PolarHBondContact O-N 3Å; I106-W159 HydrophobicContact CD1-CZ2 4.04Å
107	T	91.2	Very high	87.5	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-46	-40.6	-179.1	-38.6	0	0	0	0	113.7	S91 D92 I93 K105 Q109 L110 G111 I114	S91-T107 WeakPolarHBondContact O-CG2 3.09Å; D92-T107 WeakPolarHBondContact CA-OG1 3.49Å; D92-T107 WeakPolarHBondContact OD1-CG2 3.24Å; D92-T107 PolarHBondContact OD1-OG1 3.39Å; I93-T107 PolarHBondContact N-OG1 2.76Å; I93-T107 PolarHBondContact O-N 2.76Å; K105-T107 VanDerWaalsContact CE-OG1 3.28Å; K105-T107 WeakPolarHBondContact CE-OG1 3.23Å; T107-Q109 PolarHBondContact O-N 2.94Å; T107-Q109 VanDerWaalsContact O-N 3.15Å; T107-L110 PolarHBondContact O-N 2.88Å; T107-G111 CarbonylContact O-C 3.48Å; T107-G111 PolarHBondContact O-N 2.86Å; T107-I114 HydrophobicContact CG2-CD1 3.97Å; T107-I114 HydrophobicContact CG2-CG1 3.94Å
108	Q	86.7	Confident	87	Confident	142 Å²	142	49.8 Å²	49.8	66%	0.664	25%	0.248	S	C	*	.	H	α-helix	trans	-61.3	-23.5	-179	-62.4	-174.5	-59.6	0	0	113.8	I106 E112	I106-Q108 PolarHBondContact O-N 2.78Å; Q108-E112 HydrophobicContact CG-CG 4.22Å; Q108-E112 PolarHBondContact NE2-OE1 2.68Å
109	Q	83.6	Confident	86.4	Confident	114 Å²	114	51.5 Å²	51.5	53%	0.533	25%	0.254	S	S	.	.	H	α-helix	trans	-73.2	-28.2	176.7	-58.8	175.7	-7.5	0	0	112.4	I106 T107	I106-Q109 VanDerWaalsContact O-CB 3.31Å; I106-Q109 WeakPolarHBondContact O-CB 3.32Å; I106-Q109 PolarHBondContact O-N 3Å; T107-Q109 PolarHBondContact O-N 2.94Å; T107-Q109 VanDerWaalsContact O-N 3.15Å
110	L	83.9	Confident	86.2	Confident	6 Å²	6	50.1 Å²	50.1	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-91.9	-25.3	174.6	-67	85.1	0	0	0	111.7	I93 T107 I114 F150 W159	I93-L110 HydrophobicContact CD1-CD1 4.14Å; I93-L110 HydrophobicContact CD1-CD2 3.5Å; I93-L110 HydrophobicContact CD1-CG 4.45Å; T107-L110 PolarHBondContact O-N 2.88Å; L110-I114 HydrophobicContact CB-CD1 4.17Å; L110-I114 HydrophobicContact CB-CG2 4.31Å; L110-I114 HydrophobicContact CD2-CD1 4.26Å; L110-F150 HydrophobicContact CB-CD1 3.87Å; L110-F150 HydrophobicContact CB-CE1 3.57Å; L110-F150 HydrophobicContact CB-CG 4.48Å; L110-F150 HydrophobicContact CB-CZ 3.97Å; L110-F150 HydrophobicContact CD2-CB 3.84Å; L110-F150 HydrophobicContact CD2-CD1 3.76Å; L110-F150 HydrophobicContact CD2-CD2 4.03Å; L110-F150 HydrophobicContact CD2-CE1 4.24Å; L110-F150 HydrophobicContact CD2-CE2 4.5Å; L110-F150 HydrophobicContact CD2-CG 3.63Å; L110-F150 HydrophobicContact CG-CD1 3.74Å; L110-F150 HydrophobicContact CG-CE1 4Å; L110-F150 HydrophobicContact CG-CG 4.16Å; L110-F150 WeakPolarHBondContact O-CE1 3.47Å; L110-F150 VanDerWaalsContact O-CZ 3.24Å; L110-F150 WeakPolarHBondContact O-CZ 3.22Å; L110-W159 HydrophobicContact CD1-CD2 4.17Å; L110-W159 HydrophobicContact CD1-CG 4.13Å; L110-W159 HydrophobicContact CD2-CD2 4.46Å; L110-W159 HydrophobicContact CD2-CE3 4.46Å; L110-W159 HydrophobicContact CG-CD2 4.36Å; L110-W159 HydrophobicContact CG-CG 4.33Å
111	G	80.3	Confident	85.8	Confident	25 Å²	25	50.3 Å²	50.3	26%	0.258	25%	0.248	S	C	.	.			trans	120.5	141.4	-178	0	0	0	0	0	111.2	T107 N113	T107-G111 CarbonylContact O-C 3.48Å; T107-G111 PolarHBondContact O-N 2.86Å; G111-N113 PolarHBondContact O-N 2.86Å; G111-N113 VanDerWaalsContact O-N 3.14Å
112	E	70.5	Confident	85.7	Confident	123 Å²	123	49.8 Å²	49.8	58%	0.575	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.8	-167.3	-52.2	-162.4	125.5	0	0	114.5	Q108	Q108-E112 HydrophobicContact CG-CG 4.22Å; Q108-E112 PolarHBondContact NE2-OE1 2.68Å
113	N	79.9	Confident	85.4	Confident	116 Å²	116	48.2 Å²	48.2	62%	0.62	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.4	32.8	-174.4	-66.4	-16.7	0	0	0	114	T90 G111	T90-N113 HydrophobicContact CG2-CB 4.36Å; G111-N113 PolarHBondContact O-N 2.86Å; G111-N113 VanDerWaalsContact O-N 3.14Å
114	I	86.4	Confident	85	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	24%	0.239	C	C	.	.			trans	-72.9	144	172.6	57.2	170.5	0	0	0	112	T90 S91 I93 T107 L110 I116 C138 F150	T90-I114 CarbonylContact C-O 3.59Å; T90-I114 WeakPolarHBondContact CA-O 3.3Å; T90-I114 VanDerWaalsContact CB-O 3.25Å; T90-I114 WeakPolarHBondContact CB-O 3.17Å; S91-I114 PolarHBondContact N-O 3.49Å; I93-I114 HydrophobicContact CD1-CD1 3.88Å; I93-I114 HydrophobicContact CG1-CD1 4Å; T107-I114 HydrophobicContact CG2-CD1 3.97Å; T107-I114 HydrophobicContact CG2-CG1 3.94Å; L110-I114 HydrophobicContact CB-CD1 4.17Å; L110-I114 HydrophobicContact CB-CG2 4.31Å; L110-I114 HydrophobicContact CD2-CD1 4.26Å; I114-I116 HydrophobicContact CD1-CD1 4.21Å; I114-C138 HydrophobicContact CB-CB 4.26Å; I114-C138 HydrophobicContact CG2-CB 4.31Å; I114-F150 HydrophobicContact CG2-CE2 4.05Å; I114-F150 HydrophobicContact CG2-CZ 3.99Å
115	Y	89	Confident	84.4	Confident	15 Å²	15	46.1 Å²	46.1	6%	0.059	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	112.2	168.7	178.6	-114.4	0	0	0	109.9	T81 P87 G88 L89 R117 C138 Y139 V141	T81-Y115 WeakPolarHBondContact O-CE2 3.22Å; T81-Y115 PolarHBondContact O-OH 3.09Å; P87-Y115 HydrophobicContact CB-CD1 3.55Å; P87-Y115 HydrophobicContact CB-CE1 3.65Å; P87-Y115 HydrophobicContact CB-CG 4.07Å; G88-Y115 VanDerWaalsContact N-CE2 3.33Å; G88-Y115 VanDerWaalsContact N-CZ 3.33Å; G88-Y115 PolarHBondContact N-OH 2.81Å; L89-Y115 VanDerWaalsContact O-CD2 3.3Å; L89-Y115 WeakPolarHBondContact O-CD2 3.18Å; Y115-R117 HydrophobicContact CE1-CG 4.25Å; Y115-C138 CarbonylContact O-C 3.51Å; Y115-C138 VanDerWaalsContact O-CA 3.3Å; Y115-C138 WeakPolarHBondContact O-CA 3.19Å; Y115-Y139 HydrophobicContact CD1-CD1 4.16Å; Y115-Y139 PolarHBondContact O-N 3.12Å; Y115-V141 HydrophobicContact CD1-CG2 4.4Å; Y115-V141 HydrophobicContact CG-CG2 4.21Å
116	I	89	Confident	83.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.9	177.9	-61.3	161.7	0	0	0	108	V78 M80 S91 I93 I114 V136	V78-I116 HydrophobicContact CG1-CB 4.36Å; V78-I116 HydrophobicContact CG1-CD1 3.53Å; V78-I116 HydrophobicContact CG1-CG2 4.49Å; V78-I116 HydrophobicContact CG2-CD1 4.4Å; M80-I116 HydrophobicContact CG-CB 4.33Å; M80-I116 HydrophobicContact CG-CG2 4.45Å; M80-I116 HydrophobicContact SD-CB 4.26Å; M80-I116 HydrophobicContact SD-CG2 3.75Å; S91-I116 WeakPolarHBondContact OG-CB 3.43Å; S91-I116 PolarHBondContact OG-N 3.42Å; I93-I116 HydrophobicContact CD1-CD1 3.82Å; I93-I116 HydrophobicContact CG1-CD1 4Å; I114-I116 HydrophobicContact CD1-CD1 4.21Å; I116-V136 HydrophobicContact CD1-CG1 3.43Å; I116-V136 VanDerWaalsContact CD1-CG1 3.43Å; I116-V136 HydrophobicContact CG1-CG1 3.89Å
117	R	83.6	Confident	81.9	Confident	41 Å²	41	47.1 Å²	47.1	16%	0.155	23%	0.227	C	C	.	.			trans	-67.8	139.2	175.7	-88.9	171.3	178.9	-88.2	-1.4	110.6	Y115 E119 N120 G121 Y139	Y115-R117 HydrophobicContact CE1-CG 4.25Å; R117-E119 VanDerWaalsContact C-N 3.26Å; R117-E119 VanDerWaalsContact CB-CD 3.49Å; R117-E119 HydrophobicContact CB-CG 4.14Å; R117-E119 WeakPolarHBondContact CB-OE2 3.43Å; R117-E119 VanDerWaalsContact CD-OE1 3.26Å; R117-E119 WeakPolarHBondContact CD-OE1 3.3Å; R117-E119 WeakPolarHBondContact CG-OE1 3.48Å; R117-E119 IonicContact CZ-OE1 3.12Å; R117-E119 IonicContact NE-OE1 3.15Å; R117-E119 IonicContact NH1-OE1 2.69Å; R117-E119 PolarHBondContact NH1-OE1 2.93Å; R117-E119 PolarHBondContact O-N 3.03Å; R117-N120 HydrophobicContact CB-CB 3.99Å; R117-N120 PolarHBondContact O-N 2.68Å; R117-N120 VanDerWaalsContact O-N 3.12Å; R117-G121 PolarHBondContact O-N 2.93Å; R117-Y139 VanDerWaalsContact NE-CD2 3.33Å
118	R	82.2	Confident	81.1	Confident	80 Å²	80	47.6 Å²	47.6	30%	0.302	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-34.9	-178.1	-177.2	-177.8	176.4	179	-0.5	111.6	E82	E82-R118 WeakPolarHBondContact OE2-CD 3.28Å; E82-R118 IonicContact OE2-CZ 2.62Å; E82-R118 IonicContact OE2-NE 3.46Å; E82-R118 IonicContact OE2-NH1 3.76Å; E82-R118 PolarHBondContact OE2-NH1 2.62Å
119	E	78.2	Confident	80.3	Confident	89 Å²	89	44.1 Å²	44.1	42%	0.416	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-28.1	175.4	63.9	-85.3	-154.6	0	0	113.4	R117	R117-E119 VanDerWaalsContact C-N 3.26Å; R117-E119 VanDerWaalsContact CB-CD 3.49Å; R117-E119 HydrophobicContact CB-CG 4.14Å; R117-E119 WeakPolarHBondContact CB-OE2 3.43Å; R117-E119 VanDerWaalsContact CD-OE1 3.26Å; R117-E119 WeakPolarHBondContact CD-OE1 3.3Å; R117-E119 WeakPolarHBondContact CG-OE1 3.48Å; R117-E119 IonicContact CZ-OE1 3.12Å; R117-E119 IonicContact NE-OE1 3.15Å; R117-E119 IonicContact NH1-OE1 2.69Å; R117-E119 PolarHBondContact NH1-OE1 2.93Å; R117-E119 PolarHBondContact O-N 3.03Å
120	N	82.7	Confident	79.9	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.027	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-49.7	178.9	-69.5	2.4	0	0	0	111.8	R117 Q123 I137 L168 S169	R117-N120 HydrophobicContact CB-CB 3.99Å; R117-N120 PolarHBondContact O-N 2.68Å; R117-N120 VanDerWaalsContact O-N 3.12Å; N120-Q123 PolarHBondContact O-NE2 2.94Å; N120-I137 HydrophobicContact CB-CB 4.13Å; N120-I137 HydrophobicContact CB-CD1 4.33Å; N120-I137 WeakPolarHBondContact ND2-CG2 3.33Å; N120-L168 PolarHBondContact ND2-O 2.76Å; N120-S169 PolarHBondContact OD1-O 3.17Å
121	G	79.8	Confident	79.9	Confident	3 Å²	3	42.4 Å²	42.4	3%	0.031	21%	0.206	C	C	.	.			trans	52.5	-144.9	-178.9	0	0	0	0	0	114.8	R117	R117-G121 PolarHBondContact O-N 2.93Å
122	L	87.1	Confident	80.3	Confident	15 Å²	15	45.1 Å²	45.1	8%	0.079	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.2	165.2	-63.8	178.2	0	0	0	110.5	I76 V78 V136	I76-L122 HydrophobicContact CB-CD1 4.08Å; I76-L122 HydrophobicContact CG2-CD1 3.9Å; I76-L122 HydrophobicContact CG2-CD2 4.11Å; V78-L122 HydrophobicContact CG2-CD1 4.03Å; V78-L122 HydrophobicContact CG2-CD2 3.48Å; V78-L122 VanDerWaalsContact CG2-CD2 3.48Å; V78-L122 HydrophobicContact CG2-CG 3.7Å; L122-V136 HydrophobicContact CD2-CG2 3.69Å
123	Q	87.5	Confident	81.2	Confident	23 Å²	23	39.8 Å²	39.8	11%	0.107	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	143.8	176.7	-63.1	-77.6	-55.8	0	0	110.3	N120 F135 I137 L172	N120-Q123 PolarHBondContact O-NE2 2.94Å; Q123-F135 HydrophobicContact CB-CB 4.02Å; Q123-F135 PolarHBondContact N-O 3.01Å; Q123-F135 PolarHBondContact O-N 3.48Å; Q123-I137 HydrophobicContact CG-CD1 3.81Å; Q123-L172 HydrophobicContact CB-CD1 4.1Å; Q123-L172 HydrophobicContact CG-CD1 4.24Å; Q123-L172 HydrophobicContact CG-CG 4.26Å
124	R	84.9	Confident	81.8	Confident	37 Å²	37	34.4 Å²	34.4	14%	0.14	16%	0.156	C	C	.	.			trans	-146.4	156.8	178.8	73	178.2	-179.3	-175.5	-1.9	111.6	Q126 L134 F174 T1182 D1183	R124-Q126 PolarHBondContact O-N 3.22Å; R124-Q126 VanDerWaalsContact O-N 3.17Å; R124-L134 HydrophobicContact CB-CD2 3.74Å; R124-F174 WeakPolarHBondContact O-CE2 3.43Å; R124-T1182 PolarHBondContact NH2-O 3.28Å; R124-D1183 IonicContact CZ-OD2 3.12Å; R124-D1183 IonicContact NH1-OD2 2.68Å; R124-D1183 VanDerWaalsContact NH2-CG 3.31Å; R124-D1183 IonicContact NH2-OD1 2.71Å; R124-D1183 IonicContact NH2-OD2 3.34Å; R124-D1183 PolarHBondContact NH2-OD2 3.41Å
125	H	80.4	Confident	82.1	Confident	8 Å²	8	34.2 Å²	34.2	4%	0.037	16%	0.155	C	C	.	.			trans	-69.2	111.5	176	-162.2	-53.3	0	0	0	111.2	N127 Q128 F174 Y175	H125-N127 VanDerWaalsContact C-N 3.3Å; H125-N127 PolarHBondContact ND1-N 2.85Å; H125-N127 PolarHBondContact O-N 2.55Å; H125-Q128 HydrophobicContact CB-CB 4.26Å; H125-Q128 HydrophobicContact CB-CG 4.45Å; H125-Q128 PolarHBondContact CD2-NE2 2.77Å; H125-Q128 PolarHBondContact CE1-NE2 2.87Å; H125-Q128 VanDerWaalsContact CE1-NE2 3.26Å; H125-Q128 VanDerWaalsContact CG-NE2 3.28Å; H125-Q128 PolarHBondContact ND1-NE2 2.93Å; H125-Q128 PolarHBondContact NE2-NE2 3.11Å; H125-Q128 PolarHBondContact O-N 3.38Å; H125-Q128 VanDerWaalsContact O-N 3.11Å; H125-F174 HydrophobicContact CB-CG 4.48Å; H125-F174 VanDerWaalsContact CD2-CB 3.46Å; H125-F174 WeakPolarHBondContact CD2-CB 3.43Å; H125-F174 AromaticContact CD2-CG 3.89Å; H125-F174 WeakPolarHBondContact NE2-CB 3.31Å; H125-Y175 PolarHBondContact NE2-O 3.14Å; H125-Y175 VanDerWaalsContact NE2-O 3.16Å
126	Q	68.9	Low	82.2	Confident	92 Å²	92	33.5 Å²	33.5	43%	0.43	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-38	-170	-62.6	-179.7	-1.1	0	0	113.6	R124 Q128	R124-Q126 PolarHBondContact O-N 3.22Å; R124-Q126 VanDerWaalsContact O-N 3.17Å; Q126-Q128 VanDerWaalsContact C-N 3.29Å; Q126-Q128 PolarHBondContact O-N 2.77Å
127	N	64.9	Low	82.3	Confident	50 Å²	50	33.5 Å²	33.5	27%	0.267	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	2.4	-177	-58.1	0.8	0	0	0	114.3	H125 P176 G270	H125-N127 VanDerWaalsContact C-N 3.3Å; H125-N127 PolarHBondContact ND1-N 2.85Å; H125-N127 PolarHBondContact O-N 2.55Å; N127-P176 WeakPolarHBondContact ND2-CB 3.3Å; N127-G270 PolarHBondContact ND2-O 3.22Å
128	Q	73.8	Confident	82.6	Confident	11 Å²	11	31.5 Å²	31.5	5%	0.051	15%	0.145	C	C	.	.			trans	-135.5	58.6	-168.4	-55.7	-180	46.6	0	0	110.8	H125 Q126 D130 S131 R179	H125-Q128 HydrophobicContact CB-CB 4.26Å; H125-Q128 HydrophobicContact CB-CG 4.45Å; H125-Q128 PolarHBondContact CD2-NE2 2.77Å; H125-Q128 PolarHBondContact CE1-NE2 2.87Å; H125-Q128 VanDerWaalsContact CE1-NE2 3.26Å; H125-Q128 VanDerWaalsContact CG-NE2 3.28Å; H125-Q128 PolarHBondContact ND1-NE2 2.93Å; H125-Q128 PolarHBondContact NE2-NE2 3.11Å; H125-Q128 PolarHBondContact O-N 3.38Å; H125-Q128 VanDerWaalsContact O-N 3.11Å; Q126-Q128 VanDerWaalsContact C-N 3.29Å; Q126-Q128 PolarHBondContact O-N 2.77Å; Q128-D130 PolarHBondContact O-N 3.49Å; Q128-D130 VanDerWaalsContact O-N 3.1Å; Q128-S131 VanDerWaalsContact O-CB 3.24Å; Q128-S131 WeakPolarHBondContact O-CB 3.02Å; Q128-S131 PolarHBondContact O-N 2.91Å; Q128-R179 HydrophobicContact CG-CG 4.47Å; Q128-R179 VanDerWaalsContact OE1-CG 3.29Å
129	R	69.4	Low	82.9	Confident	69 Å²	69	28.5 Å²	28.5	26%	0.26	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.9	-175	-59.7	-169.6	-172.5	-163.4	7	113.6	P811 D1183 S1184	R129-P811 HydrophobicContact CB-CB 4.29Å; R129-D1183 IonicContact CZ-OD1 2.7Å; R129-D1183 IonicContact NE-OD1 3.67Å; R129-D1183 PolarHBondContact NH1-O 2.79Å; R129-D1183 IonicContact NH1-OD1 3.35Å; R129-D1183 PolarHBondContact NH1-OD1 2.77Å; R129-S1184 PolarHBondContact NH2-O 3Å
130	D	75.9	Confident	83.1	Confident	67 Å²	67	25.6 Å²	25.6	36%	0.358	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-13	176.9	70.4	-49	0	0	0	114.1	G69 E70 Q128 R179	G69-D130 VanDerWaalsContact CA-O 3.23Å; G69-D130 WeakPolarHBondContact CA-O 3.43Å; E70-D130 HydrophobicContact CB-CB 3.87Å; E70-D130 HydrophobicContact CG-CB 4.09Å; E70-D130 PolarHBondContact N-O 3.28Å; Q128-D130 PolarHBondContact O-N 3.49Å; Q128-D130 VanDerWaalsContact O-N 3.1Å; D130-R179 IonicContact OD1-CZ 2.69Å; D130-R179 IonicContact OD1-NH1 2.76Å; D130-R179 PolarHBondContact OD1-NH1 3.31Å; D130-R179 IonicContact OD1-NH2 2.68Å; D130-R179 PolarHBondContact OD1-NH2 2.88Å; D130-R179 IonicContact OD2-CZ 3.78Å; D130-R179 VanDerWaalsContact OD2-CZ 3.29Å; D130-R179 IonicContact OD2-NH1 2.76Å; D130-R179 PolarHBondContact OD2-NH1 3.4Å; D130-R179 VanDerWaalsContact OD2-NH1 3.09Å; D130-R179 IonicContact OD2-NH2 2.81Å; D130-R179 PolarHBondContact OD2-NH2 2.94Å
131	S	83.9	Confident	83	Confident	18 Å²	18	28.1 Å²	28.1	13%	0.126	14%	0.137	C	C	.	.			trans	-69.7	141.9	176.3	-175.6	0	0	0	0	112.7	G69 Q128 E133 L180	G69-S131 WeakPolarHBondContact CA-O 3.15Å; G69-S131 PolarHBondContact N-O 3.27Å; Q128-S131 VanDerWaalsContact O-CB 3.24Å; Q128-S131 WeakPolarHBondContact O-CB 3.02Å; Q128-S131 PolarHBondContact O-N 2.91Å; S131-E133 VanDerWaalsContact C-N 3.3Å; S131-E133 WeakPolarHBondContact OG-CB 3.43Å; S131-E133 PolarHBondContact OG-N 2.55Å; S131-L180 VanDerWaalsContact OG-CD2 3.31Å; S131-L180 WeakPolarHBondContact OG-CD2 3.19Å
132	K	88.3	Confident	83	Confident	82 Å²	82	36.4 Å²	36.4	36%	0.357	18%	0.175	S	C	.	.			trans	-87.1	-0.3	169.1	-56.8	-167.7	-178.8	-169.2	0	113.3	G155	K132-G155 PolarHBondContact O-N 3.38Å
133	E	90.5	Very high	82.6	Confident	11 Å²	11	38.4 Å²	38.4	5%	0.051	19%	0.185	C	C	.	.			trans	-69.9	126.7	-178.8	-168	-173.5	-142.1	0	0	111.2	S131 F135 T152 L180 N200	S131-E133 VanDerWaalsContact C-N 3.3Å; S131-E133 WeakPolarHBondContact OG-CB 3.43Å; S131-E133 PolarHBondContact OG-N 2.55Å; E133-F135 HydrophobicContact CG-CE2 3.65Å; E133-F135 HydrophobicContact CG-CZ 4.05Å; E133-T152 CarbonylContact C-O 3.49Å; E133-T152 WeakPolarHBondContact CA-O 3.35Å; E133-L180 HydrophobicContact CB-CD2 4.26Å; E133-N200 PolarHBondContact OE1-ND2 3.36Å
134	L	91.6	Very high	82.3	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.4	179.1	-66.2	176.1	0	0	0	111.3	A68 I76 R124 T152	A68-L134 HydrophobicContact CB-CD1 3.78Å; A68-L134 HydrophobicContact CB-CG 4.41Å; I76-L134 HydrophobicContact CB-CD1 4.1Å; I76-L134 HydrophobicContact CG1-CD1 3.56Å; R124-L134 HydrophobicContact CB-CD2 3.74Å; L134-T152 HydrophobicContact CB-CG2 3.82Å; L134-T152 PolarHBondContact N-O 3.04Å; L134-T152 PolarHBondContact O-N 2.82Å
135	F	92.2	Very high	82.3	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.4	179.7	-60.1	-105.4	0	0	0	109.3	Q123 E133 I149 F150 V151 L172 F174 N200	Q123-F135 HydrophobicContact CB-CB 4.02Å; Q123-F135 PolarHBondContact N-O 3.01Å; Q123-F135 PolarHBondContact O-N 3.48Å; E133-F135 HydrophobicContact CG-CE2 3.65Å; E133-F135 HydrophobicContact CG-CZ 4.05Å; F135-I149 HydrophobicContact CB-CD1 4.46Å; F135-I149 HydrophobicContact CD1-CD1 4Å; F135-F150 CarbonylContact C-O 3.59Å; F135-F150 WeakPolarHBondContact CA-O 3.27Å; F135-V151 HydrophobicContact CD1-CB 4.31Å; F135-V151 HydrophobicContact CD1-CG1 3.94Å; F135-V151 HydrophobicContact CD1-CG2 3.56Å; F135-V151 HydrophobicContact CE1-CB 4.35Å; F135-V151 HydrophobicContact CE1-CG1 3.64Å; F135-V151 HydrophobicContact CE1-CG2 3.73Å; F135-V151 HydrophobicContact CG-CG1 4.48Å; F135-V151 HydrophobicContact CZ-CG1 3.94Å; F135-L172 HydrophobicContact CB-CD1 3.94Å; F135-L172 HydrophobicContact CD1-CD1 4.34Å; F135-L172 HydrophobicContact CG-CD1 4.22Å; F135-F174 HydrophobicContact CD1-CE1 4.32Å; F135-F174 AromaticContact CD2-CE1 3.64Å; F135-F174 HydrophobicContact CD2-CE1 3.64Å; F135-F174 AromaticContact CD2-CZ 3.62Å; F135-F174 HydrophobicContact CD2-CZ 3.62Å; F135-F174 HydrophobicContact CE1-CE1 4.11Å; F135-F174 HydrophobicContact CE2-CD1 4.34Å; F135-F174 AromaticContact CE2-CE1 3.39Å; F135-F174 HydrophobicContact CE2-CE1 3.39Å; F135-F174 AromaticContact CE2-CZ 3.85Å; F135-F174 HydrophobicContact CE2-CZ 3.85Å; F135-F174 HydrophobicContact CG-CE1 4.13Å; F135-F174 HydrophobicContact CG-CZ 4.09Å; F135-F174 HydrophobicContact CZ-CD1 4.47Å; F135-F174 AromaticContact CZ-CE1 3.66Å; F135-F174 HydrophobicContact CZ-CE1 3.66Å; F135-F174 HydrophobicContact CZ-CZ 4.47Å; F135-N200 HydrophobicContact CE1-CB 4.07Å; F135-N200 WeakPolarHBondContact CZ-OD1 3.38Å
136	V	91.9	Very high	82.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.2	-179.7	-177.8	0	0	0	0	108.8	I93 I116 L122 I149 F150 W159	I93-V136 HydrophobicContact CD1-CG1 3.99Å; I93-V136 HydrophobicContact CD1-CG2 4.45Å; I116-V136 HydrophobicContact CD1-CG1 3.43Å; I116-V136 VanDerWaalsContact CD1-CG1 3.43Å; I116-V136 HydrophobicContact CG1-CG1 3.89Å; L122-V136 HydrophobicContact CD2-CG2 3.69Å; V136-I149 WeakPolarHBondContact O-CA 3.49Å; V136-F150 HydrophobicContact CB-CB 4.29Å; V136-F150 PolarHBondContact N-O 2.85Å; V136-F150 PolarHBondContact O-N 2.04Å; V136-W159 HydrophobicContact CB-CZ3 4.4Å; V136-W159 HydrophobicContact CG2-CH2 3.61Å; V136-W159 HydrophobicContact CG2-CZ3 3.55Å
137	I	91.2	Very high	83.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	110.2	-176.4	-53.2	159.4	0	0	0	109.4	N120 Q123 I149 L168 L172	N120-I137 HydrophobicContact CB-CB 4.13Å; N120-I137 HydrophobicContact CB-CD1 4.33Å; N120-I137 WeakPolarHBondContact ND2-CG2 3.33Å; Q123-I137 HydrophobicContact CG-CD1 3.81Å; I137-I149 HydrophobicContact CG1-CD1 4.43Å; I137-I149 HydrophobicContact CG1-CG1 4.37Å; I137-L168 HydrophobicContact CD1-CD1 4.2Å; I137-L168 HydrophobicContact CD1-CD2 3.9Å; I137-L168 HydrophobicContact CG1-CD1 4.29Å; I137-L168 HydrophobicContact CG2-CB 3.99Å; I137-L168 HydrophobicContact CG2-CD1 4.03Å; I137-L168 HydrophobicContact CG2-CD2 4.4Å; I137-L168 HydrophobicContact CG2-CG 4.35Å; I137-L172 HydrophobicContact CD1-CD1 4.14Å; I137-L172 HydrophobicContact CD1-CD2 4.18Å; I137-L172 HydrophobicContact CD1-CG 4Å
138	C	89.9	Confident	85.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.9	177.4	-59.2	0	0	0	0	109.6	I114 Y115 S147 M148 F150	I114-C138 HydrophobicContact CB-CB 4.26Å; I114-C138 HydrophobicContact CG2-CB 4.31Å; Y115-C138 CarbonylContact O-C 3.51Å; Y115-C138 VanDerWaalsContact O-CA 3.3Å; Y115-C138 WeakPolarHBondContact O-CA 3.19Å; C138-S147 CarbonylContact O-C 3.46Å; C138-S147 WeakPolarHBondContact O-CA 3.44Å; C138-M148 HydrophobicContact CB-CB 4.37Å; C138-M148 HydrophobicContact CB-CE 4.36Å; C138-M148 PolarHBondContact N-O 2.97Å; C138-M148 PolarHBondContact O-N 3.34Å; C138-F150 HydrophobicContact CB-CD2 4.49Å; C138-F150 HydrophobicContact CB-CE2 4.02Å
139	Y	87	Confident	86	Confident	16 Å²	16	43.4 Å²	43.4	6%	0.063	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139	172.4	176	-103.5	0	0	0	110.1	P87 Y115 R117 V141 M144 V167	P87-Y139 HydrophobicContact CB-CD1 4.43Å; P87-Y139 HydrophobicContact CB-CE1 4.48Å; P87-Y139 HydrophobicContact CG-CE1 4.48Å; Y115-Y139 HydrophobicContact CD1-CD1 4.16Å; Y115-Y139 PolarHBondContact O-N 3.12Å; R117-Y139 VanDerWaalsContact NE-CD2 3.33Å; Y139-V141 HydrophobicContact CD1-CG2 4.5Å; Y139-V141 PolarHBondContact O-N 3.04Å; Y139-M144 HydrophobicContact CE1-CG 4.47Å; Y139-M144 WeakPolarHBondContact OH-CA 3.03Å; Y139-M144 VanDerWaalsContact OH-CB 3.28Å; Y139-M144 WeakPolarHBondContact OH-CB 3.33Å; Y139-M144 PolarHBondContact OH-O 3.06Å; Y139-V167 HydrophobicContact CD2-CG1 4.08Å; Y139-V167 HydrophobicContact CE2-CG1 3.89Å; Y139-V167 HydrophobicContact CE2-CG2 4.19Å
140	D	84.1	Confident	87.1	Confident	29 Å²	29	40.3 Å²	40.3	16%	0.155	20%	0.2	C	C	.	.			trans	-79.3	107	177.8	-171.6	-20.1	0	0	0	109.7	E142 N143 M144 R146	D140-E142 PolarHBondContact OD1-N 2.77Å; D140-E142 VanDerWaalsContact OD1-N 3.08Å; D140-N143 WeakPolarHBondContact CB-O 3.04Å; D140-N143 CarbonylContact O-C 3.57Å; D140-N143 VanDerWaalsContact O-C 3.23Å; D140-N143 PolarHBondContact OD1-N 3.44Å; D140-M144 PolarHBondContact O-N 3.31Å; D140-R146 HydrophobicContact CB-CB 3.99Å; D140-R146 PolarHBondContact N-O 2.87Å
141	V	79.6	Confident	88	Confident	57 Å²	57	37.5 Å²	37.5	35%	0.345	19%	0.185	S	C	.	.	S	Bend	trans	-73.2	-30.9	-177.6	176.1	0	0	0	0	111.8	P87 Y115 Y139	P87-V141 HydrophobicContact CB-CG1 4.39Å; P87-V141 HydrophobicContact CB-CG2 3.86Å; P87-V141 HydrophobicContact CG-CB 4.45Å; P87-V141 HydrophobicContact CG-CG1 3.85Å; P87-V141 HydrophobicContact CG-CG2 4.15Å; Y115-V141 HydrophobicContact CD1-CG2 4.4Å; Y115-V141 HydrophobicContact CG-CG2 4.21Å; Y139-V141 HydrophobicContact CD1-CG2 4.5Å; Y139-V141 PolarHBondContact O-N 3.04Å
142	E	80.2	Confident	88.4	Confident	178 Å²	178	36.7 Å²	36.7	83%	0.832	18%	0.18	S	C	*	.	S	Bend	trans	-78.3	-37.8	177.5	-63	-176.6	-171.6	0	0	110.6	D140	D140-E142 PolarHBondContact OD1-N 2.77Å; D140-E142 VanDerWaalsContact OD1-N 3.08Å
143	N	78	Confident	88.6	Confident	56 Å²	56	39.3 Å²	39.3	30%	0.299	19%	0.193	S	C	.	.	S	Bend	trans	-123	85.7	178.7	-169.8	-6.9	0	0	0	111.7	D140 T145 R146	D140-N143 WeakPolarHBondContact CB-O 3.04Å; D140-N143 CarbonylContact O-C 3.57Å; D140-N143 VanDerWaalsContact O-C 3.23Å; D140-N143 PolarHBondContact OD1-N 3.44Å; N143-T145 PolarHBondContact O-N 2.91Å; N143-T145 PolarHBondContact OD1-OG1 3.31Å; N143-R146 PolarHBondContact O-N 3.38Å
144	M	81	Confident	88.7	Confident	113 Å²	113	41.1 Å²	41.1	56%	0.557	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	4.9	-177.9	-62.1	-170.9	-174.3	0	0	116.8	Y139 D140	Y139-M144 HydrophobicContact CE1-CG 4.47Å; Y139-M144 WeakPolarHBondContact OH-CA 3.03Å; Y139-M144 VanDerWaalsContact OH-CB 3.28Å; Y139-M144 WeakPolarHBondContact OH-CB 3.33Å; Y139-M144 PolarHBondContact OH-O 3.06Å; D140-M144 PolarHBondContact O-N 3.31Å
145	T	85.8	Confident	88.6	Confident	86 Å²	86	41 Å²	41	53%	0.528	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	0.3	173.8	64.6	0	0	0	0	113.4	N143 F166	N143-T145 PolarHBondContact O-N 2.91Å; N143-T145 PolarHBondContact OD1-OG1 3.31Å; T145-F166 CarbonylContact O-C 3.59Å; T145-F166 VanDerWaalsContact O-C 3.27Å; T145-F166 VanDerWaalsContact O-CA 3.3Å; T145-F166 WeakPolarHBondContact O-CA 3.3Å
146	R	89.6	Confident	88.5	Confident	108 Å²	108	41.1 Å²	41.1	41%	0.408	20%	0.203	S	C	.	.			trans	-131.4	170	-170.5	-66.1	-171.5	-179.3	174.8	-0.2	113.4	D140 N143 V164 F166	D140-R146 HydrophobicContact CB-CB 3.99Å; D140-R146 PolarHBondContact N-O 2.87Å; N143-R146 PolarHBondContact O-N 3.38Å; R146-V164 WeakPolarHBondContact CB-O 3.33Å; R146-F166 CarbonylContact C-O 3.57Å; R146-F166 WeakPolarHBondContact CA-O 3.31Å
147	S	91.4	Very high	88.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	171.8	170.1	-66.3	0	0	0	0	110.4	C138 V164 F166 L168	C138-S147 CarbonylContact O-C 3.46Å; C138-S147 WeakPolarHBondContact O-CA 3.44Å; S147-V164 PolarHBondContact N-O 3.08Å; S147-V164 VanDerWaalsContact N-O 3.15Å; S147-V164 WeakPolarHBondContact O-CA 3.4Å; S147-V164 WeakPolarHBondContact O-CB 3.45Å; S147-V164 PolarHBondContact O-N 2.87Å; S147-V164 VanDerWaalsContact O-O 3.13Å; S147-F166 PolarHBondContact N-O 2.65Å; S147-F166 VanDerWaalsContact N-O 3.17Å; S147-L168 PolarHBondContact OG-N 3.15Å; S147-L168 VanDerWaalsContact OG-N 3.15Å
148	M	91.4	Very high	88.6	Confident	19 Å²	19	48 Å²	48	9%	0.094	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.4	173.1	-64.7	171.6	-79.4	0	0	107.5	C138 F150 R161 S162	C138-M148 HydrophobicContact CB-CB 4.37Å; C138-M148 HydrophobicContact CB-CE 4.36Å; C138-M148 PolarHBondContact N-O 2.97Å; C138-M148 PolarHBondContact O-N 3.34Å; M148-F150 HydrophobicContact CB-CE2 3.93Å; M148-R161 PolarHBondContact SD-NH2 3.34Å; M148-S162 VanDerWaalsContact CA-O 3.31Å; M148-S162 WeakPolarHBondContact CA-O 3.49Å
149	I	93.2	Very high	88.7	Confident	1 Å²	1	50 Å²	50	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135	173.3	-169.7	169.8	0	0	0	108.6	F135 V136 I137 V151 S162 V164 L172 G201	F135-I149 HydrophobicContact CB-CD1 4.46Å; F135-I149 HydrophobicContact CD1-CD1 4Å; V136-I149 WeakPolarHBondContact O-CA 3.49Å; I137-I149 HydrophobicContact CG1-CD1 4.43Å; I137-I149 HydrophobicContact CG1-CG1 4.37Å; I149-V151 HydrophobicContact CG1-CG2 4.48Å; I149-S162 PolarHBondContact N-O 3.34Å; I149-S162 PolarHBondContact O-N 2.93Å; I149-V164 HydrophobicContact CB-CG2 4.19Å; I149-V164 HydrophobicContact CG2-CG2 3.93Å; I149-L172 HydrophobicContact CD1-CD1 3.89Å; I149-G201 VanDerWaalsContact CG2-O 3.3Å; I149-G201 WeakPolarHBondContact CG2-O 3.43Å
150	F	93.2	Very high	89	Confident	3 Å²	3	53.5 Å²	53.5	1%	0.013	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.3	175	-61.9	-104.4	0	0	0	108.7	L110 I114 F135 V136 C138 M148 W159 E160 R161	L110-F150 HydrophobicContact CB-CD1 3.87Å; L110-F150 HydrophobicContact CB-CE1 3.57Å; L110-F150 HydrophobicContact CB-CG 4.48Å; L110-F150 HydrophobicContact CB-CZ 3.97Å; L110-F150 HydrophobicContact CD2-CB 3.84Å; L110-F150 HydrophobicContact CD2-CD1 3.76Å; L110-F150 HydrophobicContact CD2-CD2 4.03Å; L110-F150 HydrophobicContact CD2-CE1 4.24Å; L110-F150 HydrophobicContact CD2-CE2 4.5Å; L110-F150 HydrophobicContact CD2-CG 3.63Å; L110-F150 HydrophobicContact CG-CD1 3.74Å; L110-F150 HydrophobicContact CG-CE1 4Å; L110-F150 HydrophobicContact CG-CG 4.16Å; L110-F150 WeakPolarHBondContact O-CE1 3.47Å; L110-F150 VanDerWaalsContact O-CZ 3.24Å; L110-F150 WeakPolarHBondContact O-CZ 3.22Å; I114-F150 HydrophobicContact CG2-CE2 4.05Å; I114-F150 HydrophobicContact CG2-CZ 3.99Å; F135-F150 CarbonylContact C-O 3.59Å; F135-F150 WeakPolarHBondContact CA-O 3.27Å; V136-F150 HydrophobicContact CB-CB 4.29Å; V136-F150 PolarHBondContact N-O 2.85Å; V136-F150 PolarHBondContact O-N 2.04Å; C138-F150 HydrophobicContact CB-CD2 4.49Å; C138-F150 HydrophobicContact CB-CE2 4.02Å; M148-F150 HydrophobicContact CB-CE2 3.93Å; F150-W159 HydrophobicContact CB-CE3 3.98Å; F150-W159 HydrophobicContact CB-CZ3 4.45Å; F150-E160 CarbonylContact C-O 3.52Å; F150-E160 VanDerWaalsContact CA-O 3.24Å; F150-E160 WeakPolarHBondContact CA-O 3.46Å; F150-R161 HydrophobicContact CD1-CB 3.7Å; F150-R161 HydrophobicContact CD1-CG 3.9Å; F150-R161 HydrophobicContact CE1-CB 3.62Å; F150-R161 HydrophobicContact CE1-CG 3.43Å; F150-R161 VanDerWaalsContact CE1-CG 3.43Å; F150-R161 HydrophobicContact CE2-CG 4.41Å; F150-R161 HydrophobicContact CZ-CB 4.41Å; F150-R161 HydrophobicContact CZ-CG 3.72Å
151	V	93.7	Very high	89.4	Confident	8 Å²	8	59.6 Å²	59.6	5%	0.048	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.8	-178	-168.4	0	0	0	0	109.2	F135 I149 W159 E160 N200	F135-V151 HydrophobicContact CD1-CB 4.31Å; F135-V151 HydrophobicContact CD1-CG1 3.94Å; F135-V151 HydrophobicContact CD1-CG2 3.56Å; F135-V151 HydrophobicContact CE1-CB 4.35Å; F135-V151 HydrophobicContact CE1-CG1 3.64Å; F135-V151 HydrophobicContact CE1-CG2 3.73Å; F135-V151 HydrophobicContact CG-CG1 4.48Å; F135-V151 HydrophobicContact CZ-CG1 3.94Å; I149-V151 HydrophobicContact CG1-CG2 4.48Å; V151-W159 CarbonylContact O-C 3.57Å; V151-W159 WeakPolarHBondContact O-CA 3.41Å; V151-E160 PolarHBondContact N-O 2.94Å; V151-E160 PolarHBondContact O-N 2.66Å; V151-N200 WeakPolarHBondContact CG2-O 3.31Å
152	T	93.3	Very high	90.1	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.5	169.6	-177.7	0	0	0	0	109	E133 L134 D154 G156 T158 W159	E133-T152 CarbonylContact C-O 3.49Å; E133-T152 WeakPolarHBondContact CA-O 3.35Å; L134-T152 HydrophobicContact CB-CG2 3.82Å; L134-T152 PolarHBondContact N-O 3.04Å; L134-T152 PolarHBondContact O-N 2.82Å; T152-D154 PolarHBondContact OG1-N 2.97Å; T152-D154 PolarHBondContact OG1-OD1 3.44Å; T152-D154 VanDerWaalsContact OG1-OD1 3.1Å; T152-G156 WeakPolarHBondContact OG1-CA 3.13Å; T152-G156 PolarHBondContact OG1-N 3.29Å; T152-T158 WeakPolarHBondContact CB-O 3.41Å; T152-T158 PolarHBondContact OG1-O 2.72Å; T152-W159 HydrophobicContact CG2-CD2 4.34Å; T152-W159 HydrophobicContact CG2-CE3 3.91Å; T152-W159 HydrophobicContact CG2-CH2 3.48Å; T152-W159 VanDerWaalsContact CG2-CH2 3.48Å; T152-W159 HydrophobicContact CG2-CZ2 3.93Å; T152-W159 HydrophobicContact CG2-CZ3 3.45Å; T152-W159 VanDerWaalsContact CG2-CZ3 3.45Å
153	E	92	Very high	90.6	Very high	137 Å²	137	52.3 Å²	52.3	64%	0.64	27%	0.265	S	S	*	.	S	Bend	trans	-98.4	-15.3	175.4	-64.5	174	-169.1	0	0	111.9
154	D	91.4	Very high	91.4	Very high	49 Å²	49	49.7 Å²	49.7	26%	0.262	25%	0.25	S	S	.	.	S	Bend	trans	-113.2	11.5	-167.3	69.1	21.1	0	0	0	114.5	T152 G156 S157 T158	T152-D154 PolarHBondContact OG1-N 2.97Å; T152-D154 PolarHBondContact OG1-OD1 3.44Å; T152-D154 VanDerWaalsContact OG1-OD1 3.1Å; D154-G156 PolarHBondContact OD1-N 3.31Å; D154-S157 VanDerWaalsContact CG-CB 3.49Å; D154-S157 PolarHBondContact O-OG 3.12Å; D154-S157 VanDerWaalsContact OD1-CA 3.25Å; D154-S157 WeakPolarHBondContact OD1-CA 3.49Å; D154-S157 WeakPolarHBondContact OD1-CB 3.46Å; D154-S157 PolarHBondContact OD1-N 2.93Å; D154-S157 PolarHBondContact OD1-OG 3.48Å; D154-T158 PolarHBondContact OD1-N 3.07Å; D154-T158 WeakPolarHBondContact OD2-CB 3.49Å; D154-T158 WeakPolarHBondContact OD2-CG2 3.29Å; D154-T158 PolarHBondContact OD2-N 2.73Å; D154-T158 PolarHBondContact OD2-OG1 2.75Å
155	G	89.6	Confident	91.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	79.2	43	-177	0	0	0	0	0	112.8	V74 R95 K132 S157	V74-G155 WeakPolarHBondContact CG1-O 3.37Å; R95-G155 WeakPolarHBondContact CD-O 3.49Å; R95-G155 PolarHBondContact NE-O 3.15Å; K132-G155 PolarHBondContact O-N 3.38Å; G155-S157 PolarHBondContact O-N 3.28Å
156	G	91.4	Very high	92.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.01	23%	0.225	C	C	.	.	S	Bend	trans	74.7	21.2	171.7	0	0	0	0	0	115.3	R95 T152 D154 W159	R95-G156 VanDerWaalsContact CD-O 3.25Å; R95-G156 WeakPolarHBondContact CD-O 3.34Å; T152-G156 WeakPolarHBondContact OG1-CA 3.13Å; T152-G156 PolarHBondContact OG1-N 3.29Å; D154-G156 PolarHBondContact OD1-N 3.31Å; G156-W159 VanDerWaalsContact CA-CZ2 3.48Å; G156-W159 PolarHBondContact O-NE1 2.88Å
157	S	91.4	Very high	92.1	Very high	55 Å²	55	39.6 Å²	39.6	39%	0.385	21%	0.208	S	C	.	.	S	Bend	trans	-84.5	-33.3	173.5	-28.5	0	0	0	0	110.9	R95 D154 G155	R95-S157 PolarHBondContact NH2-OG 3.33Å; D154-S157 VanDerWaalsContact CG-CB 3.49Å; D154-S157 PolarHBondContact O-OG 3.12Å; D154-S157 VanDerWaalsContact OD1-CA 3.25Å; D154-S157 WeakPolarHBondContact OD1-CA 3.49Å; D154-S157 WeakPolarHBondContact OD1-CB 3.46Å; D154-S157 PolarHBondContact OD1-N 2.93Å; D154-S157 PolarHBondContact OD1-OG 3.48Å; G155-S157 PolarHBondContact O-N 3.28Å
158	T	93.5	Very high	92	Very high	89 Å²	89	39.6 Å²	39.6	55%	0.546	21%	0.208	S	C	.	.	S	Bend	trans	-129.3	154.6	165.5	61.1	0	0	0	0	111	T152 D154	T152-T158 WeakPolarHBondContact CB-O 3.41Å; T152-T158 PolarHBondContact OG1-O 2.72Å; D154-T158 PolarHBondContact OD1-N 3.07Å; D154-T158 WeakPolarHBondContact OD2-CB 3.49Å; D154-T158 WeakPolarHBondContact OD2-CG2 3.29Å; D154-T158 PolarHBondContact OD2-N 2.73Å; D154-T158 PolarHBondContact OD2-OG1 2.75Å
159	W	92.2	Very high	91.5	Very high	42 Å²	42	39.2 Å²	39.2	16%	0.159	21%	0.208	C	C	.	.			trans	-139.4	132.5	-177.9	-66.5	92.7	0	0	0	110.8	I106 L110 V136 F150 V151 T152 G156	I106-W159 HydrophobicContact CD1-CZ2 4.04Å; L110-W159 HydrophobicContact CD1-CD2 4.17Å; L110-W159 HydrophobicContact CD1-CG 4.13Å; L110-W159 HydrophobicContact CD2-CD2 4.46Å; L110-W159 HydrophobicContact CD2-CE3 4.46Å; L110-W159 HydrophobicContact CG-CD2 4.36Å; L110-W159 HydrophobicContact CG-CG 4.33Å; V136-W159 HydrophobicContact CB-CZ3 4.4Å; V136-W159 HydrophobicContact CG2-CH2 3.61Å; V136-W159 HydrophobicContact CG2-CZ3 3.55Å; F150-W159 HydrophobicContact CB-CE3 3.98Å; F150-W159 HydrophobicContact CB-CZ3 4.45Å; V151-W159 CarbonylContact O-C 3.57Å; V151-W159 WeakPolarHBondContact O-CA 3.41Å; T152-W159 HydrophobicContact CG2-CD2 4.34Å; T152-W159 HydrophobicContact CG2-CE3 3.91Å; T152-W159 HydrophobicContact CG2-CH2 3.48Å; T152-W159 VanDerWaalsContact CG2-CH2 3.48Å; T152-W159 HydrophobicContact CG2-CZ2 3.93Å; T152-W159 HydrophobicContact CG2-CZ3 3.45Å; T152-W159 VanDerWaalsContact CG2-CZ3 3.45Å; G156-W159 VanDerWaalsContact CA-CZ2 3.48Å; G156-W159 PolarHBondContact O-NE1 2.88Å
160	E	93.3	Very high	90.4	Very high	90 Å²	90	39.6 Å²	39.6	42%	0.421	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.9	168.7	-170	173.9	175.8	0	0	109.9	F150 V151 K202	F150-E160 CarbonylContact C-O 3.52Å; F150-E160 VanDerWaalsContact CA-O 3.24Å; F150-E160 WeakPolarHBondContact CA-O 3.46Å; V151-E160 PolarHBondContact N-O 2.94Å; V151-E160 PolarHBondContact O-N 2.66Å; E160-K202 VanDerWaalsContact CD-CE 3.48Å; E160-K202 VanDerWaalsContact OE1-CE 3.24Å; E160-K202 WeakPolarHBondContact OE1-CE 3.31Å; E160-K202 IonicContact OE1-NZ 3.7Å; E160-K202 PolarHBondContact OE1-NZ 3.46Å; E160-K202 WeakPolarHBondContact OE2-CE 3.48Å; E160-K202 IonicContact OE2-NZ 3.62Å; E160-K202 PolarHBondContact OE2-NZ 3.1Å
161	R	92.8	Very high	89.9	Confident	157 Å²	157	42.7 Å²	42.7	59%	0.592	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114	128.1	-175.3	177.8	-175.6	175.8	-169.1	-4	111.4	M148 F150	M148-R161 PolarHBondContact SD-NH2 3.34Å; F150-R161 HydrophobicContact CD1-CB 3.7Å; F150-R161 HydrophobicContact CD1-CG 3.9Å; F150-R161 HydrophobicContact CE1-CB 3.62Å; F150-R161 HydrophobicContact CE1-CG 3.43Å; F150-R161 VanDerWaalsContact CE1-CG 3.43Å; F150-R161 HydrophobicContact CE2-CG 4.41Å; F150-R161 HydrophobicContact CZ-CB 4.41Å; F150-R161 HydrophobicContact CZ-CG 3.72Å
162	S	93.8	Very high	89.7	Confident	12 Å²	12	42.4 Å²	42.4	8%	0.084	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	150.6	177.8	-59.2	0	0	0	0	111.7	M148 I149 G201 K202	M148-S162 VanDerWaalsContact CA-O 3.31Å; M148-S162 WeakPolarHBondContact CA-O 3.49Å; I149-S162 PolarHBondContact N-O 3.34Å; I149-S162 PolarHBondContact O-N 2.93Å; S162-G201 WeakPolarHBondContact CB-O 3.24Å; S162-K202 WeakPolarHBondContact OG-CA 3.38Å; S162-K202 WeakPolarHBondContact OG-CG 3.48Å
163	S	91.5	Very high	89.6	Confident	71 Å²	71	45.3 Å²	45.3	50%	0.497	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.6	176.9	-174.5	0	0	0	0	110.5
164	V	93.2	Very high	89.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.1	179.4	-171.6	0	0	0	0	107.9	R146 S147 I149 F166 L168	R146-V164 WeakPolarHBondContact CB-O 3.33Å; S147-V164 PolarHBondContact N-O 3.08Å; S147-V164 VanDerWaalsContact N-O 3.15Å; S147-V164 WeakPolarHBondContact O-CA 3.4Å; S147-V164 WeakPolarHBondContact O-CB 3.45Å; S147-V164 PolarHBondContact O-N 2.87Å; S147-V164 VanDerWaalsContact O-O 3.13Å; I149-V164 HydrophobicContact CB-CG2 4.19Å; I149-V164 HydrophobicContact CG2-CG2 3.93Å; V164-F166 HydrophobicContact CG1-CD1 3.67Å; V164-F166 HydrophobicContact CG1-CD2 4.09Å; V164-F166 HydrophobicContact CG1-CE1 3.35Å; V164-F166 HydrophobicContact CG1-CE2 3.81Å; V164-F166 HydrophobicContact CG1-CG 4.02Å; V164-F166 HydrophobicContact CG1-CZ 3.42Å; V164-F166 VanDerWaalsContact CG1-CZ 3.42Å; V164-F166 PolarHBondContact O-N 2.86Å; V164-L168 HydrophobicContact CG1-CB 4.44Å; V164-L168 HydrophobicContact CG2-CD1 4.46Å
165	P	91.4	Very high	89.5	Confident	82 Å²	82	38 Å²	38	53%	0.532	20%	0.198	S	C	.	.	S	Bend	trans	-78.7	2.9	-170.1	30.8	-34.5	0	0	0	114.7
166	F	92.1	Very high	89.1	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.026	20%	0.203	C	C	.	.	S	Bend	trans	-135.1	176.3	-178.1	62.7	-92.8	0	0	0	110.2	T145 R146 S147 V164 L168 T186 E188 Y195 W204	T145-F166 CarbonylContact O-C 3.59Å; T145-F166 VanDerWaalsContact O-C 3.27Å; T145-F166 VanDerWaalsContact O-CA 3.3Å; T145-F166 WeakPolarHBondContact O-CA 3.3Å; R146-F166 CarbonylContact C-O 3.57Å; R146-F166 WeakPolarHBondContact CA-O 3.31Å; S147-F166 PolarHBondContact N-O 2.65Å; S147-F166 VanDerWaalsContact N-O 3.17Å; V164-F166 HydrophobicContact CG1-CD1 3.67Å; V164-F166 HydrophobicContact CG1-CD2 4.09Å; V164-F166 HydrophobicContact CG1-CE1 3.35Å; V164-F166 HydrophobicContact CG1-CE2 3.81Å; V164-F166 HydrophobicContact CG1-CG 4.02Å; V164-F166 HydrophobicContact CG1-CZ 3.42Å; V164-F166 VanDerWaalsContact CG1-CZ 3.42Å; V164-F166 PolarHBondContact O-N 2.86Å; F166-L168 HydrophobicContact CE2-CB 4.18Å; F166-L168 HydrophobicContact CE2-CG 4.15Å; F166-L168 PolarHBondContact O-N 2.82Å; F166-T186 HydrophobicContact CE2-CG2 3.97Å; F166-T186 HydrophobicContact CZ-CG2 3.8Å; F166-E188 HydrophobicContact CD2-CB 4.1Å; F166-E188 HydrophobicContact CD2-CG 4.48Å; F166-Y195 HydrophobicContact CB-CE2 4.12Å; F166-Y195 AromaticContact CD1-CD1 3.76Å; F166-Y195 HydrophobicContact CD1-CD1 3.76Å; F166-Y195 AromaticContact CD1-CD2 3.92Å; F166-Y195 HydrophobicContact CD1-CD2 3.92Å; F166-Y195 AromaticContact CD1-CE1 3.54Å; F166-Y195 HydrophobicContact CD1-CE1 3.54Å; F166-Y195 AromaticContact CD1-CE2 3.7Å; F166-Y195 HydrophobicContact CD1-CE2 3.7Å; F166-Y195 AromaticContact CD1-CG 3.93Å; F166-Y195 HydrophobicContact CD1-CG 3.93Å; F166-Y195 AromaticContact CD1-CZ 3.49Å; F166-Y195 VanDerWaalsContact CD1-CZ 3.49Å; F166-Y195 AromaticContact CD2-CD2 3.88Å; F166-Y195 HydrophobicContact CD2-CD2 3.88Å; F166-Y195 AromaticContact CD2-CE2 3.64Å; F166-Y195 HydrophobicContact CD2-CE2 3.64Å; F166-Y195 AromaticContact CE1-CD1 3.52Å; F166-Y195 HydrophobicContact CE1-CD1 3.52Å; F166-Y195 AromaticContact CE1-CD2 3.67Å; F166-Y195 HydrophobicContact CE1-CD2 3.67Å; F166-Y195 AromaticContact CE1-CE1 3.84Å; F166-Y195 HydrophobicContact CE1-CE1 3.84Å; F166-Y195 AromaticContact CE1-CE2 3.97Å; F166-Y195 HydrophobicContact CE1-CE2 3.97Å; F166-Y195 AromaticContact CE1-CG 3.42Å; F166-Y195 HydrophobicContact CE1-CG 3.42Å; F166-Y195 VanDerWaalsContact CE1-CG 3.42Å; F166-Y195 AromaticContact CE2-CD2 3.63Å; F166-Y195 HydrophobicContact CE2-CD2 3.63Å; F166-Y195 AromaticContact CE2-CE2 3.91Å; F166-Y195 HydrophobicContact CE2-CE2 3.91Å; F166-Y195 HydrophobicContact CE2-CG 4.16Å; F166-Y195 HydrophobicContact CG-CD2 4.03Å; F166-Y195 HydrophobicContact CG-CE1 4.15Å; F166-Y195 AromaticContact CG-CE2 3.54Å; F166-Y195 HydrophobicContact CG-CE2 3.54Å; F166-Y195 AromaticContact CG-CZ 3.6Å; F166-Y195 HydrophobicContact CZ-CD1 4.16Å; F166-Y195 AromaticContact CZ-CD2 3.52Å; F166-Y195 HydrophobicContact CZ-CD2 3.52Å; F166-Y195 HydrophobicContact CZ-CE2 4.08Å; F166-Y195 AromaticContact CZ-CG 3.56Å; F166-Y195 HydrophobicContact CZ-CG 3.56Å; F166-W204 HydrophobicContact CE1-CB 3.88Å; F166-W204 HydrophobicContact CE1-CD2 4.17Å; F166-W204 AromaticContact CE1-CG 3.88Å; F166-W204 HydrophobicContact CE1-CG 3.88Å; F166-W204 HydrophobicContact CZ-CD2 4.15Å; F166-W204 HydrophobicContact CZ-CE3 4.28Å; F166-W204 HydrophobicContact CZ-CG 4.34Å
167	V	89.1	Confident	88.7	Confident	8 Å²	8	40.1 Å²	40.1	5%	0.048	21%	0.208	C	C	.	.			trans	-88.1	110.1	178.3	-179.8	0	0	0	0	110.3	Y139 S169 E188	Y139-V167 HydrophobicContact CD2-CG1 4.08Å; Y139-V167 HydrophobicContact CE2-CG1 3.89Å; Y139-V167 HydrophobicContact CE2-CG2 4.19Å; V167-S169 PolarHBondContact O-N 2.95Å; V167-E188 PolarHBondContact N-OE1 3.03Å
168	L	88.5	Confident	88.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.			trans	-85.6	100.1	178.9	-152.9	-178.7	0	0	0	109.5	N120 I137 S147 V164 F166 G170 L172 T186 W204	N120-L168 PolarHBondContact ND2-O 2.76Å; I137-L168 HydrophobicContact CD1-CD1 4.2Å; I137-L168 HydrophobicContact CD1-CD2 3.9Å; I137-L168 HydrophobicContact CG1-CD1 4.29Å; I137-L168 HydrophobicContact CG2-CB 3.99Å; I137-L168 HydrophobicContact CG2-CD1 4.03Å; I137-L168 HydrophobicContact CG2-CD2 4.4Å; I137-L168 HydrophobicContact CG2-CG 4.35Å; S147-L168 PolarHBondContact OG-N 3.15Å; S147-L168 VanDerWaalsContact OG-N 3.15Å; V164-L168 HydrophobicContact CG1-CB 4.44Å; V164-L168 HydrophobicContact CG2-CD1 4.46Å; F166-L168 HydrophobicContact CE2-CB 4.18Å; F166-L168 HydrophobicContact CE2-CG 4.15Å; F166-L168 PolarHBondContact O-N 2.82Å; L168-G170 WeakPolarHBondContact CD2-O 3.33Å; L168-L172 HydrophobicContact CD1-CD2 4.05Å; L168-L172 HydrophobicContact CD2-CD2 4.16Å; L168-T186 HydrophobicContact CD1-CG2 4.46Å; L168-T186 HydrophobicContact CD2-CG2 4.38Å; L168-T186 WeakPolarHBondContact CD2-OG1 3.48Å; L168-T186 HydrophobicContact CG-CG2 4.09Å; L168-W204 HydrophobicContact CD1-CZ2 4.39Å
169	S	80.2	Confident	87.9	Confident	11 Å²	11	44.8 Å²	44.8	8%	0.077	21%	0.212	C	C	.	.			trans	-114.7	-21.1	178.5	63.7	0	0	0	0	115	N120 V167 E189	N120-S169 PolarHBondContact OD1-O 3.17Å; V167-S169 PolarHBondContact O-N 2.95Å; S169-E189 WeakPolarHBondContact CB-OE2 3.26Å; S169-E189 PolarHBondContact OG-OE2 3.26Å
170	G	71.8	Confident	87.5	Confident	8 Å²	8	46.8 Å²	46.8	8%	0.082	23%	0.225	C	C	.	.	S	Bend	trans	-79.7	159.1	173.4	0	0	0	0	0	113.3	L168	L168-G170 WeakPolarHBondContact CD2-O 3.33Å
171	Q	81.9	Confident	87.3	Confident	68 Å²	68	42.5 Å²	42.5	32%	0.318	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-61.5	159	170.6	-63.5	-179.6	53.1	0	0	111.8	T186 Y214	Q171-T186 PolarHBondContact O-OG1 3.13Å; Q171-Y214 PolarHBondContact O-OH 2.95Å
172	L	90.4	Very high	87.3	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-87.9	119.2	174.4	-59.3	-177.4	0	0	0	110.4	Q123 F135 I137 I149 L168 F174 V184 W204	Q123-L172 HydrophobicContact CB-CD1 4.1Å; Q123-L172 HydrophobicContact CG-CD1 4.24Å; Q123-L172 HydrophobicContact CG-CG 4.26Å; F135-L172 HydrophobicContact CB-CD1 3.94Å; F135-L172 HydrophobicContact CD1-CD1 4.34Å; F135-L172 HydrophobicContact CG-CD1 4.22Å; I137-L172 HydrophobicContact CD1-CD1 4.14Å; I137-L172 HydrophobicContact CD1-CD2 4.18Å; I137-L172 HydrophobicContact CD1-CG 4Å; I149-L172 HydrophobicContact CD1-CD1 3.89Å; L168-L172 HydrophobicContact CD1-CD2 4.05Å; L168-L172 HydrophobicContact CD2-CD2 4.16Å; L172-F174 HydrophobicContact CB-CD2 4.37Å; L172-F174 HydrophobicContact CB-CE1 4.32Å; L172-F174 HydrophobicContact CB-CE2 3.7Å; L172-F174 HydrophobicContact CB-CZ 3.67Å; L172-F174 HydrophobicContact CD1-CE1 4.35Å; L172-F174 HydrophobicContact CD1-CZ 3.85Å; L172-F174 HydrophobicContact CG-CZ 4.42Å; L172-F174 WeakPolarHBondContact O-CD2 3.35Å; L172-F174 WeakPolarHBondContact O-CE2 3.4Å; L172-V184 HydrophobicContact CB-CG1 3.86Å; L172-V184 HydrophobicContact CD1-CG1 4.48Å; L172-V184 HydrophobicContact CD2-CG1 3.97Å; L172-V184 HydrophobicContact CG-CG1 4.3Å; L172-W204 HydrophobicContact CD2-CH2 4.33Å
173	R	90	Very high	87.3	Confident	63 Å²	63	39.1 Å²	39.1	24%	0.238	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	97.7	173.8	-66.5	-171.8	175.5	-177.1	3.6	109.2	L185 D213 Y214 W216 E1191	R173-L185 HydrophobicContact CB-CB 4.49Å; R173-L185 PolarHBondContact N-O 2.97Å; R173-L185 PolarHBondContact O-N 3.38Å; R173-D213 IonicContact CZ-OD1 2.89Å; R173-D213 IonicContact NH1-OD1 2.7Å; R173-D213 PolarHBondContact NH1-OD1 3.29Å; R173-D213 IonicContact NH2-OD1 3.63Å; R173-D213 PolarHBondContact NH2-OD1 2.95Å; R173-Y214 HydrophobicContact CB-CE2 3.99Å; R173-Y214 WeakPolarHBondContact CD-O 3.43Å; R173-Y214 HydrophobicContact CG-CE2 4Å; R173-Y214 VanDerWaalsContact NH1-C 3.29Å; R173-Y214 PolarHBondContact NH1-O 3.16Å; R173-W216 PolarHBondContact O-NE1 2.9Å; R173-E1191 IonicContact CZ-OE2 2.7Å; R173-E1191 IonicContact NH2-OE2 3.71Å; R173-E1191 PolarHBondContact NH2-OE2 3.22Å
174	F	90	Very high	87.4	Confident	18 Å²	18	35.9 Å²	35.9	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	150.8	179.7	-57.1	-86.7	0	0	0	112.5	R124 H125 F135 L172 V184 W216	R124-F174 WeakPolarHBondContact O-CE2 3.43Å; H125-F174 HydrophobicContact CB-CG 4.48Å; H125-F174 VanDerWaalsContact CD2-CB 3.46Å; H125-F174 WeakPolarHBondContact CD2-CB 3.43Å; H125-F174 AromaticContact CD2-CG 3.89Å; H125-F174 WeakPolarHBondContact NE2-CB 3.31Å; F135-F174 HydrophobicContact CD1-CE1 4.32Å; F135-F174 AromaticContact CD2-CE1 3.64Å; F135-F174 HydrophobicContact CD2-CE1 3.64Å; F135-F174 AromaticContact CD2-CZ 3.62Å; F135-F174 HydrophobicContact CD2-CZ 3.62Å; F135-F174 HydrophobicContact CE1-CE1 4.11Å; F135-F174 HydrophobicContact CE2-CD1 4.34Å; F135-F174 AromaticContact CE2-CE1 3.39Å; F135-F174 HydrophobicContact CE2-CE1 3.39Å; F135-F174 AromaticContact CE2-CZ 3.85Å; F135-F174 HydrophobicContact CE2-CZ 3.85Å; F135-F174 HydrophobicContact CG-CE1 4.13Å; F135-F174 HydrophobicContact CG-CZ 4.09Å; F135-F174 HydrophobicContact CZ-CD1 4.47Å; F135-F174 AromaticContact CZ-CE1 3.66Å; F135-F174 HydrophobicContact CZ-CE1 3.66Å; F135-F174 HydrophobicContact CZ-CZ 4.47Å; L172-F174 HydrophobicContact CB-CD2 4.37Å; L172-F174 HydrophobicContact CB-CE1 4.32Å; L172-F174 HydrophobicContact CB-CE2 3.7Å; L172-F174 HydrophobicContact CB-CZ 3.67Å; L172-F174 HydrophobicContact CD1-CE1 4.35Å; L172-F174 HydrophobicContact CD1-CZ 3.85Å; L172-F174 HydrophobicContact CG-CZ 4.42Å; L172-F174 WeakPolarHBondContact O-CD2 3.35Å; L172-F174 WeakPolarHBondContact O-CE2 3.4Å; F174-V184 HydrophobicContact CD1-CG2 3.83Å; F174-V184 HydrophobicContact CE1-CG2 4.05Å; F174-W216 VanDerWaalsContact O-CD1 3.22Å
175	Y	90.8	Very high	87.5	Confident	14 Å²	14	35.9 Å²	35.9	6%	0.055	17%	0.173	C	C	.	.			trans	-69.7	121.9	179.3	178.2	-117.8	0	0	0	112.5	H125 R177 E178 S181 W183 W216 G224	H125-Y175 PolarHBondContact NE2-O 3.14Å; H125-Y175 VanDerWaalsContact NE2-O 3.16Å; Y175-R177 HydrophobicContact CE1-CB 4.04Å; Y175-R177 HydrophobicContact CE2-CB 4.26Å; Y175-R177 PolarHBondContact OH-NE 2.94Å; Y175-R177 VanDerWaalsContact OH-NE 3.1Å; Y175-R177 PolarHBondContact OH-NH2 3.23Å; Y175-E178 HydrophobicContact CD1-CB 4.08Å; Y175-E178 HydrophobicContact CE1-CB 3.85Å; Y175-S181 WeakPolarHBondContact CD1-OG 3.34Å; Y175-W183 HydrophobicContact CD1-CD2 4.47Å; Y175-W183 AromaticContact CD1-CE3 3.77Å; Y175-W183 HydrophobicContact CD1-CE3 3.77Å; Y175-W183 HydrophobicContact CD1-CZ3 4.19Å; Y175-W183 HydrophobicContact CD2-CE3 4.06Å; Y175-W183 AromaticContact CE1-CE3 3.91Å; Y175-W183 HydrophobicContact CE1-CE3 3.91Å; Y175-W183 AromaticContact CE1-CZ3 3.83Å; Y175-W183 HydrophobicContact CE1-CZ3 3.83Å; Y175-W183 HydrophobicContact CE2-CE3 4.21Å; Y175-W183 HydrophobicContact CE2-CZ3 4.21Å; Y175-W183 HydrophobicContact CG-CB 4.46Å; Y175-W183 AromaticContact CG-CE3 3.83Å; Y175-W183 HydrophobicContact CG-CE3 3.83Å; Y175-W183 AromaticContact CZ-CZ3 3.82Å; Y175-W183 PolarHBondContact N-O 2.82Å; Y175-W216 HydrophobicContact CD2-CB 4.42Å; Y175-W216 AromaticContact CD2-CD2 3.74Å; Y175-W216 HydrophobicContact CD2-CD2 3.74Å; Y175-W216 AromaticContact CD2-CE3 3.61Å; Y175-W216 HydrophobicContact CD2-CE3 3.61Å; Y175-W216 HydrophobicContact CD2-CG 4.13Å; Y175-W216 HydrophobicContact CD2-CZ3 4.05Å; Y175-W216 HydrophobicContact CE2-CE3 4.21Å; Y175-W216 HydrophobicContact CG-CD2 4.49Å; Y175-G224 VanDerWaalsContact CE2-O 3.24Å; Y175-G224 WeakPolarHBondContact CE2-O 3.22Å; Y175-G224 WeakPolarHBondContact OH-CA 3.34Å; Y175-G224 PolarHBondContact OH-O 3.38Å; Y175-G224 VanDerWaalsContact OH-O 3.13Å
176	P	83	Confident	87.6	Confident	15 Å²	15	32 Å²	32	10%	0.097	15%	0.148	C	C	.	.	S	Bend	trans	-89	-17.4	-165	33.4	-36.7	0	0	0	115.3	N127 W216 V218	N127-P176 WeakPolarHBondContact ND2-CB 3.3Å; P176-W216 HydrophobicContact CG-CB 4.14Å; P176-V218 HydrophobicContact CG-CG1 4.06Å
177	R	82.2	Confident	87.6	Confident	32 Å²	32	32.6 Å²	32.6	12%	0.121	15%	0.151	C	C	.	.	S	Bend	trans	-84.7	-15	-170.1	-69	-171.5	-72.3	-174.1	-1.8	114.5	Y175 S217 Y219 D222 P223 G224 K272	Y175-R177 HydrophobicContact CE1-CB 4.04Å; Y175-R177 HydrophobicContact CE2-CB 4.26Å; Y175-R177 PolarHBondContact OH-NE 2.94Å; Y175-R177 VanDerWaalsContact OH-NE 3.1Å; Y175-R177 PolarHBondContact OH-NH2 3.23Å; R177-S217 PolarHBondContact NE-O 2.85Å; R177-S217 VanDerWaalsContact NE-O 3.11Å; R177-Y219 PolarHBondContact NH1-O 2.99Å; R177-D222 PolarHBondContact NH1-O 3.38Å; R177-P223 PolarHBondContact NH2-O 3.22Å; R177-G224 PolarHBondContact NH2-O 2.97Å; R177-K272 WeakPolarHBondContact O-CE 3.4Å; R177-K272 PolarHBondContact O-NZ 3.42Å
178	E	83.6	Confident	87.8	Confident	104 Å²	104	33.1 Å²	33.1	49%	0.486	15%	0.153	S	C	.	.	S	Bend	trans	-129.4	140.1	-178.9	176.2	178.5	-131.1	0	0	110.6	Y175 S181	Y175-E178 HydrophobicContact CD1-CB 4.08Å; Y175-E178 HydrophobicContact CE1-CB 3.85Å; E178-S181 WeakPolarHBondContact OE2-CB 3.25Å; E178-S181 PolarHBondContact OE2-OG 2.83Å
179	R	84.6	Confident	87.6	Confident	138 Å²	138	38.4 Å²	38.4	52%	0.521	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	135.1	-178.4	-175.6	178.8	166	94.4	1.3	110.2	Q128 D130 S181	Q128-R179 HydrophobicContact CG-CG 4.47Å; Q128-R179 VanDerWaalsContact OE1-CG 3.29Å; D130-R179 IonicContact OD1-CZ 2.69Å; D130-R179 IonicContact OD1-NH1 2.76Å; D130-R179 PolarHBondContact OD1-NH1 3.31Å; D130-R179 IonicContact OD1-NH2 2.68Å; D130-R179 PolarHBondContact OD1-NH2 2.88Å; D130-R179 IonicContact OD2-CZ 3.78Å; D130-R179 VanDerWaalsContact OD2-CZ 3.29Å; D130-R179 IonicContact OD2-NH1 2.76Å; D130-R179 PolarHBondContact OD2-NH1 3.4Å; D130-R179 VanDerWaalsContact OD2-NH1 3.09Å; D130-R179 IonicContact OD2-NH2 2.81Å; D130-R179 PolarHBondContact OD2-NH2 2.94Å; R179-S181 PolarHBondContact O-N 2.86Å
180	L	83	Confident	87.8	Confident	83 Å²	83	45.1 Å²	45.1	44%	0.435	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	36.6	-172.9	-58.1	171.6	0	0	0	113.8	S131 E133	S131-L180 VanDerWaalsContact OG-CD2 3.31Å; S131-L180 WeakPolarHBondContact OG-CD2 3.19Å; E133-L180 HydrophobicContact CB-CD2 4.26Å
181	S	89.7	Confident	88.7	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.007	22%	0.219	C	C	.	.			trans	-74.2	130.3	178.3	-162.7	0	0	0	0	110.9	Y175 E178 R179 W183	Y175-S181 WeakPolarHBondContact CD1-OG 3.34Å; E178-S181 WeakPolarHBondContact OE2-CB 3.25Å; E178-S181 PolarHBondContact OE2-OG 2.83Å; R179-S181 PolarHBondContact O-N 2.86Å; S181-W183 PolarHBondContact O-N 2.82Å
182	P	92.4	Very high	89.2	Confident	46 Å²	46	46.2 Å²	46.2	30%	0.299	22%	0.217	S	C	.	.			trans	-77.8	13.8	-172.4	32	-36.5	0	0	0	114.4	L198 D199 N200	P182-L198 CarbonylContact O-C 3.51Å; P182-L198 VanDerWaalsContact O-C 3.28Å; P182-D199 PolarHBondContact O-N 2.57Å; P182-N200 WeakPolarHBondContact CA-OD1 3.48Å; P182-N200 HydrophobicContact CB-CB 4.4Å; P182-N200 PolarHBondContact O-N 3.35Å
183	W	94.3	Very high	89.4	Confident	52 Å²	52	47.6 Å²	47.6	20%	0.197	22%	0.224	C	C	.	.			trans	-94.6	123.7	-172.1	-59.9	-2.1	0	0	0	111.2	Y175 S181 S197 L198 W216 F251	Y175-W183 HydrophobicContact CD1-CD2 4.47Å; Y175-W183 AromaticContact CD1-CE3 3.77Å; Y175-W183 HydrophobicContact CD1-CE3 3.77Å; Y175-W183 HydrophobicContact CD1-CZ3 4.19Å; Y175-W183 HydrophobicContact CD2-CE3 4.06Å; Y175-W183 AromaticContact CE1-CE3 3.91Å; Y175-W183 HydrophobicContact CE1-CE3 3.91Å; Y175-W183 AromaticContact CE1-CZ3 3.83Å; Y175-W183 HydrophobicContact CE1-CZ3 3.83Å; Y175-W183 HydrophobicContact CE2-CE3 4.21Å; Y175-W183 HydrophobicContact CE2-CZ3 4.21Å; Y175-W183 HydrophobicContact CG-CB 4.46Å; Y175-W183 AromaticContact CG-CE3 3.83Å; Y175-W183 HydrophobicContact CG-CE3 3.83Å; Y175-W183 AromaticContact CZ-CZ3 3.82Å; Y175-W183 PolarHBondContact N-O 2.82Å; S181-W183 PolarHBondContact O-N 2.82Å; W183-S197 WeakPolarHBondContact CA-O 3.33Å; W183-L198 HydrophobicContact CB-CD2 4.2Å; W183-L198 HydrophobicContact CD2-CD2 3.99Å; W183-L198 HydrophobicContact CG-CD2 3.64Å; W183-W216 HydrophobicContact CB-CH2 3.87Å; W183-W216 HydrophobicContact CB-CZ2 3.88Å; W183-W216 HydrophobicContact CE3-CH2 4.3Å; W183-W216 HydrophobicContact CE3-CZ3 4.35Å; W183-F251 HydrophobicContact CD2-CE1 4.17Å; W183-F251 HydrophobicContact CD2-CZ 4.07Å; W183-F251 AromaticContact CE2-CZ 3.96Å; W183-F251 AromaticContact CE3-CE1 3.87Å; W183-F251 HydrophobicContact CE3-CE1 3.87Å; W183-F251 AromaticContact CE3-CZ 3.93Å; W183-F251 HydrophobicContact CE3-CZ 3.93Å; W183-F251 HydrophobicContact CH2-CE1 4.38Å; W183-F251 AromaticContact CH2-CZ 3.66Å; W183-F251 HydrophobicContact CH2-CZ 3.66Å; W183-F251 AromaticContact CZ2-CZ 3.78Å; W183-F251 HydrophobicContact CZ2-CZ 3.78Å; W183-F251 AromaticContact CZ3-CE1 3.98Å; W183-F251 HydrophobicContact CZ3-CE1 3.98Å; W183-F251 AromaticContact CZ3-CZ 3.73Å; W183-F251 HydrophobicContact CZ3-CZ 3.73Å
184	V	94	Very high	89.7	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	130.4	-171.5	-171.4	0	0	0	0	110.3	L172 F174 S197 W204	L172-V184 HydrophobicContact CB-CG1 3.86Å; L172-V184 HydrophobicContact CD1-CG1 4.48Å; L172-V184 HydrophobicContact CD2-CG1 3.97Å; L172-V184 HydrophobicContact CG-CG1 4.3Å; F174-V184 HydrophobicContact CD1-CG2 3.83Å; F174-V184 HydrophobicContact CE1-CG2 4.05Å; V184-S197 PolarHBondContact N-O 2.89Å; V184-S197 PolarHBondContact O-N 2.88Å; V184-W204 HydrophobicContact CB-CH2 4.25Å; V184-W204 HydrophobicContact CG1-CH2 4Å
185	L	94.2	Very high	90	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	145.1	167.8	-69.2	167	0	0	0	110.2	R173 L194 Y195 L196 I207 Y214 W216 V227	R173-L185 HydrophobicContact CB-CB 4.49Å; R173-L185 PolarHBondContact N-O 2.97Å; R173-L185 PolarHBondContact O-N 3.38Å; L185-L194 HydrophobicContact CB-CD1 4.33Å; L185-L194 HydrophobicContact CD2-CD1 4.17Å; L185-L194 HydrophobicContact CD2-CG 4.4Å; L185-Y195 WeakPolarHBondContact CA-O 3.49Å; L185-L196 HydrophobicContact CD2-CB 3.94Å; L185-L196 HydrophobicContact CD2-CD1 3.74Å; L185-L196 HydrophobicContact CD2-CG 4.39Å; L185-L196 HydrophobicContact CG-CD1 4.26Å; L185-I207 HydrophobicContact CD2-CD1 3.74Å; L185-Y214 HydrophobicContact CB-CD2 3.75Å; L185-Y214 HydrophobicContact CB-CE2 3.61Å; L185-Y214 HydrophobicContact CD1-CD2 4.26Å; L185-W216 HydrophobicContact CD1-CD2 3.76Å; L185-W216 HydrophobicContact CD1-CE3 4.29Å; L185-W216 HydrophobicContact CD1-CG 4.14Å; L185-W216 HydrophobicContact CD1-CH2 4.45Å; L185-W216 HydrophobicContact CD1-CZ2 3.94Å; L185-W216 HydrophobicContact CG-CD2 4.4Å; L185-W216 HydrophobicContact CG-CH2 4.28Å; L185-W216 HydrophobicContact CG-CZ2 3.64Å; L185-V227 HydrophobicContact CD1-CB 4.48Å; L185-V227 HydrophobicContact CD1-CG1 3.63Å; L185-V227 HydrophobicContact CD1-CG2 4.02Å; L185-V227 HydrophobicContact CD2-CG1 4.41Å
186	T	94	Very high	90.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	148.9	168.9	-164.9	0	0	0	0	111.5	F166 L168 Q171 Y195 W204 Y214	F166-T186 HydrophobicContact CE2-CG2 3.97Å; F166-T186 HydrophobicContact CZ-CG2 3.8Å; L168-T186 HydrophobicContact CD1-CG2 4.46Å; L168-T186 HydrophobicContact CD2-CG2 4.38Å; L168-T186 WeakPolarHBondContact CD2-OG1 3.48Å; L168-T186 HydrophobicContact CG-CG2 4.09Å; Q171-T186 PolarHBondContact O-OG1 3.13Å; T186-Y195 PolarHBondContact N-O 2.92Å; T186-Y195 PolarHBondContact O-N 2.91Å; T186-W204 HydrophobicContact CG2-CE3 4.14Å; T186-W204 HydrophobicContact CG2-CH2 3.81Å; T186-W204 HydrophobicContact CG2-CZ3 3.52Å; T186-Y214 WeakPolarHBondContact CA-OH 3.38Å
187	L	92.5	Very high	90.9	Very high	19 Å²	19	44.2 Å²	44.2	10%	0.099	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.1	179.4	-178.4	72.7	0	0	0	109.7	E189 L194 V211 Y214	L187-E189 PolarHBondContact O-N 3.01Å; L187-L194 HydrophobicContact CD1-CB 4.44Å; L187-V211 HydrophobicContact CD1-CB 3.81Å; L187-V211 HydrophobicContact CD1-CG1 4.05Å; L187-Y214 HydrophobicContact CB-CD1 3.88Å; L187-Y214 HydrophobicContact CB-CE1 3.34Å; L187-Y214 HydrophobicContact CD2-CD1 4.24Å; L187-Y214 HydrophobicContact CD2-CE1 4.15Å; L187-Y214 HydrophobicContact CG-CE1 4.32Å; L187-Y214 PolarHBondContact N-OH 3.33Å
188	E	92	Very high	91.5	Very high	19 Å²	19	46 Å²	46	9%	0.089	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	96.3	166.6	179.2	174.9	-135.8	0	0	108.7	F166 V167 K190 T191 S192 I193 Y195	F166-E188 HydrophobicContact CD2-CB 4.1Å; F166-E188 HydrophobicContact CD2-CG 4.48Å; V167-E188 PolarHBondContact N-OE1 3.03Å; E188-K190 PolarHBondContact O-N 3.1Å; E188-T191 WeakPolarHBondContact CB-OG1 3.49Å; E188-T191 VanDerWaalsContact CD-OG1 3.3Å; E188-T191 HydrophobicContact CG-CG2 4.13Å; E188-T191 VanDerWaalsContact CG-OG1 3.24Å; E188-T191 WeakPolarHBondContact CG-OG1 3.3Å; E188-T191 PolarHBondContact O-N 2.79Å; E188-T191 PolarHBondContact O-OG1 3.19Å; E188-T191 VanDerWaalsContact OE2-CG2 3.31Å; E188-T191 WeakPolarHBondContact OE2-CG2 3.47Å; E188-T191 PolarHBondContact OE2-OG1 3.16Å; E188-S192 WeakPolarHBondContact O-CA 3.25Å; E188-S192 PolarHBondContact O-N 3.26Å; E188-I193 PolarHBondContact N-O 3.1Å; E188-Y195 HydrophobicContact CB-CD2 4.4Å; E188-Y195 HydrophobicContact CB-CE2 3.85Å; E188-Y195 PolarHBondContact OE2-OH 2.87Å
189	E	84.5	Confident	92.1	Very high	112 Å²	112	43.2 Å²	43.2	52%	0.523	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.4	-170.5	-57.7	166.4	127.1	0	0	113.7	S169 L187	S169-E189 WeakPolarHBondContact CB-OE2 3.26Å; S169-E189 PolarHBondContact OG-OE2 3.26Å; L187-E189 PolarHBondContact O-N 3.01Å
190	K	85.2	Confident	92.4	Very high	152 Å²	152	37.2 Å²	37.2	66%	0.661	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-24.6	180	-67.7	-175.7	178.8	-179.5	0	114.4	E188	E188-K190 PolarHBondContact O-N 3.1Å
191	T	90.4	Very high	92.9	Very high	58 Å²	58	33.2 Å²	33.2	36%	0.356	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-12.4	-177.4	60.6	0	0	0	0	111.8	E188 I193	E188-T191 WeakPolarHBondContact CB-OG1 3.49Å; E188-T191 VanDerWaalsContact CD-OG1 3.3Å; E188-T191 HydrophobicContact CG-CG2 4.13Å; E188-T191 VanDerWaalsContact CG-OG1 3.24Å; E188-T191 WeakPolarHBondContact CG-OG1 3.3Å; E188-T191 PolarHBondContact O-N 2.79Å; E188-T191 PolarHBondContact O-OG1 3.19Å; E188-T191 VanDerWaalsContact OE2-CG2 3.31Å; E188-T191 WeakPolarHBondContact OE2-CG2 3.47Å; E188-T191 PolarHBondContact OE2-OG1 3.16Å; T191-I193 PolarHBondContact O-N 2.87Å; T191-I193 WeakPolarHBondContact OG1-CB 2.84Å; T191-I193 WeakPolarHBondContact OG1-CG1 3.27Å; T191-I193 PolarHBondContact OG1-N 3.07Å
192	S	92.2	Very high	93.1	Very high	40 Å²	40	37 Å²	37	28%	0.28	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	30.7	-171	-57.4	0	0	0	0	112.7	E188 D209 N210 V211	E188-S192 WeakPolarHBondContact O-CA 3.25Å; E188-S192 PolarHBondContact O-N 3.26Å; S192-D209 CarbonylContact O-C 3.45Å; S192-N210 PolarHBondContact O-N 3.19Å; S192-V211 WeakPolarHBondContact CB-O 3.33Å; S192-V211 PolarHBondContact O-N 2.93Å
193	I	94.9	Very high	93.2	Very high	31 Å²	31	39.1 Å²	39.1	16%	0.159	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.6	179.1	-62.5	175.2	0	0	0	110	E188 T191 Y195 N206	E188-I193 PolarHBondContact N-O 3.1Å; T191-I193 PolarHBondContact O-N 2.87Å; T191-I193 WeakPolarHBondContact OG1-CB 2.84Å; T191-I193 WeakPolarHBondContact OG1-CG1 3.27Å; T191-I193 PolarHBondContact OG1-N 3.07Å; I193-Y195 HydrophobicContact CB-CD2 4.49Å; I193-Y195 HydrophobicContact CB-CE2 3.81Å; I193-Y195 HydrophobicContact CG2-CD2 3.99Å; I193-Y195 HydrophobicContact CG2-CE1 4.07Å; I193-Y195 HydrophobicContact CG2-CE2 3.49Å; I193-Y195 VanDerWaalsContact CG2-CE2 3.49Å; I193-Y195 HydrophobicContact CG2-CG 4.49Å; I193-Y195 WeakPolarHBondContact O-CD2 3.46Å; I193-N206 HydrophobicContact CG2-CB 4.02Å; I193-N206 VanDerWaalsContact CG2-ND2 3.33Å; I193-N206 WeakPolarHBondContact CG2-ND2 3.35Å; I193-N206 WeakPolarHBondContact CG2-OD1 3.23Å
194	L	95.9	Very high	93.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.6	176.5	178.8	59.9	0	0	0	110.6	L185 L187 I207 H208 V211 Y214 I229	L185-L194 HydrophobicContact CB-CD1 4.33Å; L185-L194 HydrophobicContact CD2-CD1 4.17Å; L185-L194 HydrophobicContact CD2-CG 4.4Å; L187-L194 HydrophobicContact CD1-CB 4.44Å; L194-I207 HydrophobicContact CB-CG1 4.25Å; L194-I207 HydrophobicContact CD2-CD1 3.72Å; L194-I207 HydrophobicContact CD2-CG1 3.92Å; L194-I207 HydrophobicContact CG-CD1 3.91Å; L194-I207 HydrophobicContact CG-CG1 3.74Å; L194-I207 WeakPolarHBondContact O-CG1 3.5Å; L194-I207 PolarHBondContact O-N 2.64Å; L194-H208 PolarHBondContact N-O 2.83Å; L194-V211 HydrophobicContact CB-CB 4.21Å; L194-V211 HydrophobicContact CB-CG1 4.33Å; L194-V211 HydrophobicContact CB-CG2 3.87Å; L194-V211 HydrophobicContact CD2-CG1 4.38Å; L194-V211 HydrophobicContact CD2-CG2 4.46Å; L194-Y214 HydrophobicContact CD1-CD1 4.22Å; L194-Y214 HydrophobicContact CD1-CD2 3.31Å; L194-Y214 HydrophobicContact CD1-CE2 3.81Å; L194-Y214 HydrophobicContact CD1-CG 3.56Å; L194-Y214 HydrophobicContact CD2-CG 4.41Å; L194-I229 HydrophobicContact CD2-CG2 3.45Å; L194-I229 VanDerWaalsContact CD2-CG2 3.45Å
195	Y	96.2	Very high	93.4	Very high	32 Å²	32	42 Å²	42	13%	0.125	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	141.4	177.1	-63.2	-89.9	0	0	0	111.7	F166 L185 T186 E188 I193 K205 N206	F166-Y195 HydrophobicContact CB-CE2 4.12Å; F166-Y195 AromaticContact CD1-CD1 3.76Å; F166-Y195 HydrophobicContact CD1-CD1 3.76Å; F166-Y195 AromaticContact CD1-CD2 3.92Å; F166-Y195 HydrophobicContact CD1-CD2 3.92Å; F166-Y195 AromaticContact CD1-CE1 3.54Å; F166-Y195 HydrophobicContact CD1-CE1 3.54Å; F166-Y195 AromaticContact CD1-CE2 3.7Å; F166-Y195 HydrophobicContact CD1-CE2 3.7Å; F166-Y195 AromaticContact CD1-CG 3.93Å; F166-Y195 HydrophobicContact CD1-CG 3.93Å; F166-Y195 AromaticContact CD1-CZ 3.49Å; F166-Y195 VanDerWaalsContact CD1-CZ 3.49Å; F166-Y195 AromaticContact CD2-CD2 3.88Å; F166-Y195 HydrophobicContact CD2-CD2 3.88Å; F166-Y195 AromaticContact CD2-CE2 3.64Å; F166-Y195 HydrophobicContact CD2-CE2 3.64Å; F166-Y195 AromaticContact CE1-CD1 3.52Å; F166-Y195 HydrophobicContact CE1-CD1 3.52Å; F166-Y195 AromaticContact CE1-CD2 3.67Å; F166-Y195 HydrophobicContact CE1-CD2 3.67Å; F166-Y195 AromaticContact CE1-CE1 3.84Å; F166-Y195 HydrophobicContact CE1-CE1 3.84Å; F166-Y195 AromaticContact CE1-CE2 3.97Å; F166-Y195 HydrophobicContact CE1-CE2 3.97Å; F166-Y195 AromaticContact CE1-CG 3.42Å; F166-Y195 HydrophobicContact CE1-CG 3.42Å; F166-Y195 VanDerWaalsContact CE1-CG 3.42Å; F166-Y195 AromaticContact CE2-CD2 3.63Å; F166-Y195 HydrophobicContact CE2-CD2 3.63Å; F166-Y195 AromaticContact CE2-CE2 3.91Å; F166-Y195 HydrophobicContact CE2-CE2 3.91Å; F166-Y195 HydrophobicContact CE2-CG 4.16Å; F166-Y195 HydrophobicContact CG-CD2 4.03Å; F166-Y195 HydrophobicContact CG-CE1 4.15Å; F166-Y195 AromaticContact CG-CE2 3.54Å; F166-Y195 HydrophobicContact CG-CE2 3.54Å; F166-Y195 AromaticContact CG-CZ 3.6Å; F166-Y195 HydrophobicContact CZ-CD1 4.16Å; F166-Y195 AromaticContact CZ-CD2 3.52Å; F166-Y195 HydrophobicContact CZ-CD2 3.52Å; F166-Y195 HydrophobicContact CZ-CE2 4.08Å; F166-Y195 AromaticContact CZ-CG 3.56Å; F166-Y195 HydrophobicContact CZ-CG 3.56Å; L185-Y195 WeakPolarHBondContact CA-O 3.49Å; T186-Y195 PolarHBondContact N-O 2.92Å; T186-Y195 PolarHBondContact O-N 2.91Å; E188-Y195 HydrophobicContact CB-CD2 4.4Å; E188-Y195 HydrophobicContact CB-CE2 3.85Å; E188-Y195 PolarHBondContact OE2-OH 2.87Å; I193-Y195 HydrophobicContact CB-CD2 4.49Å; I193-Y195 HydrophobicContact CB-CE2 3.81Å; I193-Y195 HydrophobicContact CG2-CD2 3.99Å; I193-Y195 HydrophobicContact CG2-CE1 4.07Å; I193-Y195 HydrophobicContact CG2-CE2 3.49Å; I193-Y195 VanDerWaalsContact CG2-CE2 3.49Å; I193-Y195 HydrophobicContact CG2-CG 4.49Å; I193-Y195 WeakPolarHBondContact O-CD2 3.46Å; Y195-K205 CarbonylContact C-O 3.56Å; Y195-K205 WeakPolarHBondContact CA-O 3.4Å; Y195-N206 HydrophobicContact CD1-CB 4.19Å; Y195-N206 HydrophobicContact CE1-CB 4.06Å
196	L	96.8	Very high	93.5	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.4	174.7	173.1	65.4	0	0	0	110.5	L185 L198 W204 K205 I207 W216 F251	L185-L196 HydrophobicContact CD2-CB 3.94Å; L185-L196 HydrophobicContact CD2-CD1 3.74Å; L185-L196 HydrophobicContact CD2-CG 4.39Å; L185-L196 HydrophobicContact CG-CD1 4.26Å; L196-L198 HydrophobicContact CD1-CD2 3.94Å; L196-L198 HydrophobicContact CD2-CD2 4.16Å; L196-L198 HydrophobicContact CD2-CG 4.43Å; L196-L198 HydrophobicContact CG-CD2 4.16Å; L196-L198 HydrophobicContact CG-CG 4.36Å; L196-W204 WeakPolarHBondContact O-CA 3.48Å; L196-K205 PolarHBondContact N-O 3.16Å; L196-K205 PolarHBondContact O-N 2.89Å; L196-I207 HydrophobicContact CB-CD1 4.18Å; L196-I207 HydrophobicContact CB-CG1 4.41Å; L196-I207 HydrophobicContact CB-CG2 3.8Å; L196-I207 HydrophobicContact CD2-CG2 4.14Å; L196-W216 HydrophobicContact CD1-CH2 3.64Å; L196-W216 HydrophobicContact CD1-CZ2 3.99Å; L196-F251 HydrophobicContact CD2-CB 3.62Å; L196-F251 HydrophobicContact CD2-CD1 3.68Å; L196-F251 HydrophobicContact CD2-CG 3.95Å
197	S	96.4	Very high	93.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.6	163.2	150.5	0	0	0	0	109.4	W183 V184 D199 G201 T203	W183-S197 WeakPolarHBondContact CA-O 3.33Å; V184-S197 PolarHBondContact N-O 2.89Å; V184-S197 PolarHBondContact O-N 2.88Å; S197-D199 PolarHBondContact OG-N 2.92Å; S197-D199 PolarHBondContact OG-OD1 3.03Å; S197-G201 WeakPolarHBondContact OG-CA 3.33Å; S197-G201 PolarHBondContact OG-N 3.11Å; S197-T203 WeakPolarHBondContact CA-O 3.36Å; S197-T203 VanDerWaalsContact CB-O 3.29Å; S197-T203 WeakPolarHBondContact CB-O 3.31Å
198	L	95.7	Very high	93.7	Very high	69 Å²	69	46.6 Å²	46.6	36%	0.361	23%	0.232	S	C	.	.	S	Bend	trans	-117.6	9	172.6	-59.9	176.6	0	0	0	112.7	P182 W183 L196 F251	P182-L198 CarbonylContact O-C 3.51Å; P182-L198 VanDerWaalsContact O-C 3.28Å; W183-L198 HydrophobicContact CB-CD2 4.2Å; W183-L198 HydrophobicContact CD2-CD2 3.99Å; W183-L198 HydrophobicContact CG-CD2 3.64Å; L196-L198 HydrophobicContact CD1-CD2 3.94Å; L196-L198 HydrophobicContact CD2-CD2 4.16Å; L196-L198 HydrophobicContact CD2-CG 4.43Å; L196-L198 HydrophobicContact CG-CD2 4.16Å; L196-L198 HydrophobicContact CG-CG 4.36Å; L198-F251 HydrophobicContact CD1-CD2 4.14Å; L198-F251 HydrophobicContact CD1-CE2 4.07Å; L198-F251 HydrophobicContact CD1-CG 4.45Å; L198-F251 HydrophobicContact CD1-CZ 4.32Å; L198-F251 HydrophobicContact CD2-CD1 3.94Å; L198-F251 HydrophobicContact CD2-CE1 3.52Å; L198-F251 HydrophobicContact CD2-CE2 4.26Å; L198-F251 HydrophobicContact CD2-CG 4.47Å; L198-F251 HydrophobicContact CD2-CZ 3.69Å
199	D	95.1	Very high	93.9	Very high	46 Å²	46	48.7 Å²	48.7	25%	0.246	24%	0.244	C	C	.	.	S	Bend	trans	-140.9	35	-166.7	61.7	9.1	0	0	0	113.5	P182 S197 G201 K202 T203	P182-D199 PolarHBondContact O-N 2.57Å; S197-D199 PolarHBondContact OG-N 2.92Å; S197-D199 PolarHBondContact OG-OD1 3.03Å; D199-G201 VanDerWaalsContact C-N 3.32Å; D199-G201 PolarHBondContact O-N 2.76Å; D199-K202 HydrophobicContact CB-CB 4.39Å; D199-K202 WeakPolarHBondContact O-CD 3.49Å; D199-K202 WeakPolarHBondContact O-CE 3.34Å; D199-K202 WeakPolarHBondContact O-CG 3.31Å; D199-K202 WeakPolarHBondContact OD1-CA 3.34Å; D199-K202 PolarHBondContact OD1-N 3.25Å; D199-T203 PolarHBondContact OD1-N 2.95Å; D199-T203 WeakPolarHBondContact OD2-CB 3.43Å; D199-T203 WeakPolarHBondContact OD2-CG2 3.5Å; D199-T203 PolarHBondContact OD2-N 2.79Å; D199-T203 VanDerWaalsContact OD2-N 3.1Å; D199-T203 PolarHBondContact OD2-OG1 3.2Å
200	N	92.1	Very high	94.3	Very high	12 Å²	12	46.1 Å²	46.1	6%	0.064	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	36.7	-176.7	-94.4	-4.1	0	0	0	114.1	E133 F135 V151 P182	E133-N200 PolarHBondContact OE1-ND2 3.36Å; F135-N200 HydrophobicContact CE1-CB 4.07Å; F135-N200 WeakPolarHBondContact CZ-OD1 3.38Å; V151-N200 WeakPolarHBondContact CG2-O 3.31Å; P182-N200 WeakPolarHBondContact CA-OD1 3.48Å; P182-N200 HydrophobicContact CB-CB 4.4Å; P182-N200 PolarHBondContact O-N 3.35Å
201	G	92.7	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	16.9	172.6	0	0	0	0	0	114.2	I149 S162 S197 D199 W204	I149-G201 VanDerWaalsContact CG2-O 3.3Å; I149-G201 WeakPolarHBondContact CG2-O 3.43Å; S162-G201 WeakPolarHBondContact CB-O 3.24Å; S197-G201 WeakPolarHBondContact OG-CA 3.33Å; S197-G201 PolarHBondContact OG-N 3.11Å; D199-G201 VanDerWaalsContact C-N 3.32Å; D199-G201 PolarHBondContact O-N 2.76Å; G201-W204 PolarHBondContact O-NE1 2.89Å
202	K	93.3	Very high	94.7	Very high	79 Å²	79	38.5 Å²	38.5	34%	0.343	20%	0.2	S	C	.	.	S	Bend	trans	-78.1	-37.3	178.9	-59.1	168.6	-162.6	-155.6	0	111.1	E160 S162 D199	E160-K202 VanDerWaalsContact CD-CE 3.48Å; E160-K202 VanDerWaalsContact OE1-CE 3.24Å; E160-K202 WeakPolarHBondContact OE1-CE 3.31Å; E160-K202 IonicContact OE1-NZ 3.7Å; E160-K202 PolarHBondContact OE1-NZ 3.46Å; E160-K202 WeakPolarHBondContact OE2-CE 3.48Å; E160-K202 IonicContact OE2-NZ 3.62Å; E160-K202 PolarHBondContact OE2-NZ 3.1Å; S162-K202 WeakPolarHBondContact OG-CA 3.38Å; S162-K202 WeakPolarHBondContact OG-CG 3.48Å; D199-K202 HydrophobicContact CB-CB 4.39Å; D199-K202 WeakPolarHBondContact O-CD 3.49Å; D199-K202 WeakPolarHBondContact O-CE 3.34Å; D199-K202 WeakPolarHBondContact O-CG 3.31Å; D199-K202 WeakPolarHBondContact OD1-CA 3.34Å; D199-K202 PolarHBondContact OD1-N 3.25Å
203	T	95.8	Very high	94.6	Very high	91 Å²	91	37.6 Å²	37.6	56%	0.558	19%	0.192	S	C	*	.	S	Bend	trans	-130.3	148.4	171.2	67.3	0	0	0	0	111.3	S197 D199	S197-T203 WeakPolarHBondContact CA-O 3.36Å; S197-T203 VanDerWaalsContact CB-O 3.29Å; S197-T203 WeakPolarHBondContact CB-O 3.31Å; D199-T203 PolarHBondContact OD1-N 2.95Å; D199-T203 WeakPolarHBondContact OD2-CB 3.43Å; D199-T203 WeakPolarHBondContact OD2-CG2 3.5Å; D199-T203 PolarHBondContact OD2-N 2.79Å; D199-T203 VanDerWaalsContact OD2-N 3.1Å; D199-T203 PolarHBondContact OD2-OG1 3.2Å
204	W	95.6	Very high	94.5	Very high	35 Å²	35	36.7 Å²	36.7	13%	0.133	19%	0.187	C	C	.	.			trans	-132	134.3	-176.3	-65	89.7	0	0	0	110.8	F166 L168 L172 V184 T186 L196 G201	F166-W204 HydrophobicContact CE1-CB 3.88Å; F166-W204 HydrophobicContact CE1-CD2 4.17Å; F166-W204 AromaticContact CE1-CG 3.88Å; F166-W204 HydrophobicContact CE1-CG 3.88Å; F166-W204 HydrophobicContact CZ-CD2 4.15Å; F166-W204 HydrophobicContact CZ-CE3 4.28Å; F166-W204 HydrophobicContact CZ-CG 4.34Å; L168-W204 HydrophobicContact CD1-CZ2 4.39Å; L172-W204 HydrophobicContact CD2-CH2 4.33Å; V184-W204 HydrophobicContact CB-CH2 4.25Å; V184-W204 HydrophobicContact CG1-CH2 4Å; T186-W204 HydrophobicContact CG2-CE3 4.14Å; T186-W204 HydrophobicContact CG2-CH2 3.81Å; T186-W204 HydrophobicContact CG2-CZ3 3.52Å; L196-W204 WeakPolarHBondContact O-CA 3.48Å; G201-W204 PolarHBondContact O-NE1 2.89Å
205	K	96	Very high	94.4	Very high	81 Å²	81	37.9 Å²	37.9	35%	0.352	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.4	176.7	179.5	-159	163.1	-160.6	0	108.7	Y195 L196 I207 F251 G252	Y195-K205 CarbonylContact C-O 3.56Å; Y195-K205 WeakPolarHBondContact CA-O 3.4Å; L196-K205 PolarHBondContact N-O 3.16Å; L196-K205 PolarHBondContact O-N 2.89Å; K205-I207 HydrophobicContact CD-CG2 3.79Å; K205-I207 HydrophobicContact CG-CG2 4.19Å; K205-I207 PolarHBondContact O-N 2.98Å; K205-F251 PolarHBondContact NZ-O 2.83Å; K205-G252 PolarHBondContact NZ-O 3.39Å
206	N	95.5	Very high	94.1	Very high	67 Å²	67	37 Å²	37	36%	0.358	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	127.4	163.4	175.4	-4.4	0	0	0	108.4	I193 Y195 H208 D209	I193-N206 HydrophobicContact CG2-CB 4.02Å; I193-N206 VanDerWaalsContact CG2-ND2 3.33Å; I193-N206 WeakPolarHBondContact CG2-ND2 3.35Å; I193-N206 WeakPolarHBondContact CG2-OD1 3.23Å; Y195-N206 HydrophobicContact CD1-CB 4.19Å; Y195-N206 HydrophobicContact CE1-CB 4.06Å; N206-H208 PolarHBondContact OD1-N 2.93Å; N206-H208 PolarHBondContact OD1-O 2.88Å; N206-D209 PolarHBondContact ND2-OD1 3.01Å
207	I	96.5	Very high	93.9	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.051	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-19.3	177.4	60.8	163.6	0	0	0	114.5	L185 L194 L196 K205 V227 F251 W255	L185-I207 HydrophobicContact CD2-CD1 3.74Å; L194-I207 HydrophobicContact CB-CG1 4.25Å; L194-I207 HydrophobicContact CD2-CD1 3.72Å; L194-I207 HydrophobicContact CD2-CG1 3.92Å; L194-I207 HydrophobicContact CG-CD1 3.91Å; L194-I207 HydrophobicContact CG-CG1 3.74Å; L194-I207 WeakPolarHBondContact O-CG1 3.5Å; L194-I207 PolarHBondContact O-N 2.64Å; L196-I207 HydrophobicContact CB-CD1 4.18Å; L196-I207 HydrophobicContact CB-CG1 4.41Å; L196-I207 HydrophobicContact CB-CG2 3.8Å; L196-I207 HydrophobicContact CD2-CG2 4.14Å; K205-I207 HydrophobicContact CD-CG2 3.79Å; K205-I207 HydrophobicContact CG-CG2 4.19Å; K205-I207 PolarHBondContact O-N 2.98Å; I207-V227 HydrophobicContact CD1-CG1 4.4Å; I207-F251 WeakPolarHBondContact CG2-O 3.47Å; I207-W255 HydrophobicContact CB-CZ2 4.39Å; I207-W255 HydrophobicContact CD1-CH2 4.33Å; I207-W255 HydrophobicContact CD1-CZ2 4.2Å; I207-W255 HydrophobicContact CG1-CZ2 4.42Å; I207-W255 PolarHBondContact O-NE1 3.06Å
208	H	96.1	Very high	93.3	Very high	38 Å²	38	37.1 Å²	37.1	18%	0.176	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	146	174.2	-154.4	-80.6	0	0	0	112.6	L194 N206 V211 I229 Y231 W255	L194-H208 PolarHBondContact N-O 2.83Å; N206-H208 PolarHBondContact OD1-N 2.93Å; N206-H208 PolarHBondContact OD1-O 2.88Å; H208-V211 HydrophobicContact CB-CG2 3.75Å; H208-I229 HydrophobicContact CB-CD1 3.97Å; H208-I229 WeakPolarHBondContact CD2-CD1 3.4Å; H208-Y231 AromaticContact CE1-CD2 3.42Å; H208-Y231 VanDerWaalsContact CE1-CD2 3.42Å; H208-Y231 WeakPolarHBondContact CE1-CD2 3.44Å; H208-Y231 AromaticContact CE1-CE2 3.84Å; H208-Y231 AromaticContact CE1-CG 3.61Å; H208-W255 HydrophobicContact CB-CZ2 4.02Å; H208-W255 AromaticContact CD2-CD1 3.89Å; H208-W255 AromaticContact CD2-CE2 3.76Å; H208-W255 AromaticContact CD2-NE1 3.62Å
209	D	94.2	Very high	92.9	Very high	63 Å²	63	34.2 Å²	34.2	34%	0.337	17%	0.173	S	C	.	.	S	Bend	trans	-101.8	163.8	176.1	-52.6	-41.1	0	0	0	112.2	S192 N206 V211	S192-D209 CarbonylContact O-C 3.45Å; N206-D209 PolarHBondContact ND2-OD1 3.01Å; D209-V211 PolarHBondContact O-N 2.79Å
210	N	93	Very high	92.2	Very high	58 Å²	58	39.9 Å²	39.9	31%	0.31	20%	0.198	S	C	.	.	S	Bend	trans	58	28.3	179.1	-45.5	-72	0	0	0	115.3	S192 Y231 H232	S192-N210 PolarHBondContact O-N 3.19Å; N210-Y231 WeakPolarHBondContact O-CA 3.4Å; N210-H232 HydrophobicContact CB-CB 4.17Å; N210-H232 PolarHBondContact O-N 3.07Å
211	V	93.8	Very high	91.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	141.3	179.9	178	0	0	0	0	111.4	L187 S192 L194 H208 D209 D213 I229	L187-V211 HydrophobicContact CD1-CB 3.81Å; L187-V211 HydrophobicContact CD1-CG1 4.05Å; S192-V211 WeakPolarHBondContact CB-O 3.33Å; S192-V211 PolarHBondContact O-N 2.93Å; L194-V211 HydrophobicContact CB-CB 4.21Å; L194-V211 HydrophobicContact CB-CG1 4.33Å; L194-V211 HydrophobicContact CB-CG2 3.87Å; L194-V211 HydrophobicContact CD2-CG1 4.38Å; L194-V211 HydrophobicContact CD2-CG2 4.46Å; H208-V211 HydrophobicContact CB-CG2 3.75Å; D209-V211 PolarHBondContact O-N 2.79Å; V211-D213 WeakPolarHBondContact CG1-O 3.45Å; V211-I229 HydrophobicContact CG1-CB 4.37Å; V211-I229 HydrophobicContact CG1-CG2 4.24Å; V211-I229 HydrophobicContact CG2-CD1 4.49Å; V211-I229 HydrophobicContact CG2-CG2 4.33Å
212	V	91.2	Very high	91.6	Very high	48 Å²	48	45.1 Å²	45.1	29%	0.291	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-43.9	178	-172.3	0	0	0	0	110.7	L230 H232	V212-L230 WeakPolarHBondContact CA-O 3.47Å; V212-L230 WeakPolarHBondContact CB-O 3.3Å; V212-L230 PolarHBondContact N-O 2.73Å; V212-H232 WeakPolarHBondContact CG2-CE1 3.42Å; V212-H232 VanDerWaalsContact CG2-ND1 3.31Å; V212-H232 WeakPolarHBondContact CG2-ND1 3.42Å
213	D	90.1	Very high	91.5	Very high	22 Å²	22	44.4 Å²	44.4	12%	0.118	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	175.7	178.7	-166.2	15.5	0	0	0	109.7	R173 V211 I229 L230	R173-D213 IonicContact CZ-OD1 2.89Å; R173-D213 IonicContact NH1-OD1 2.7Å; R173-D213 PolarHBondContact NH1-OD1 3.29Å; R173-D213 IonicContact NH2-OD1 3.63Å; R173-D213 PolarHBondContact NH2-OD1 2.95Å; V211-D213 WeakPolarHBondContact CG1-O 3.45Å; D213-I229 CarbonylContact O-C 3.58Å; D213-I229 VanDerWaalsContact O-CA 3.24Å; D213-I229 WeakPolarHBondContact O-CA 3.22Å; D213-L230 HydrophobicContact CB-CB 4.02Å; D213-L230 HydrophobicContact CB-CD2 4.46Å; D213-L230 PolarHBondContact N-O 2.75Å; D213-L230 PolarHBondContact O-N 3Å
214	Y	93.6	Very high	91.1	Very high	12 Å²	12	41.1 Å²	41.1	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)		-179	33.1	-82.7	144.3	-70.7	0	0	0	117.8	Q171 R173 L185 T186 L187 L194	Q171-Y214 PolarHBondContact O-OH 2.95Å; R173-Y214 HydrophobicContact CB-CE2 3.99Å; R173-Y214 WeakPolarHBondContact CD-O 3.43Å; R173-Y214 HydrophobicContact CG-CE2 4Å; R173-Y214 VanDerWaalsContact NH1-C 3.29Å; R173-Y214 PolarHBondContact NH1-O 3.16Å; L185-Y214 HydrophobicContact CB-CD2 3.75Å; L185-Y214 HydrophobicContact CB-CE2 3.61Å; L185-Y214 HydrophobicContact CD1-CD2 4.26Å; T186-Y214 WeakPolarHBondContact CA-OH 3.38Å; L187-Y214 HydrophobicContact CB-CD1 3.88Å; L187-Y214 HydrophobicContact CB-CE1 3.34Å; L187-Y214 HydrophobicContact CD2-CD1 4.24Å; L187-Y214 HydrophobicContact CD2-CE1 4.15Å; L187-Y214 HydrophobicContact CG-CE1 4.32Å; L187-Y214 PolarHBondContact N-OH 3.33Å; L194-Y214 HydrophobicContact CD1-CD1 4.22Å; L194-Y214 HydrophobicContact CD1-CD2 3.31Å; L194-Y214 HydrophobicContact CD1-CE2 3.81Å; L194-Y214 HydrophobicContact CD1-CG 3.56Å; L194-Y214 HydrophobicContact CD2-CG 4.41Å
215	F	92	Very high	90.9	Very high	25 Å²	25	43 Å²	43	11%	0.11	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.6	-169.4	63.9	-85.8	0	0	0	116.9	Y228 V265 A267 L303	F215-Y228 AromaticContact CD2-CD2 3.78Å; F215-Y228 HydrophobicContact CD2-CD2 3.78Å; F215-Y228 AromaticContact CD2-CG 3.94Å; F215-Y228 HydrophobicContact CD2-CG 3.94Å; F215-Y228 HydrophobicContact CE1-CG 4.27Å; F215-Y228 VanDerWaalsContact CE2-CB 3.42Å; F215-Y228 AromaticContact CE2-CD1 3.87Å; F215-Y228 HydrophobicContact CE2-CD1 3.87Å; F215-Y228 AromaticContact CE2-CD2 3.38Å; F215-Y228 HydrophobicContact CE2-CD2 3.38Å; F215-Y228 HydrophobicContact CE2-CE1 4.47Å; F215-Y228 HydrophobicContact CE2-CE2 4.04Å; F215-Y228 AromaticContact CE2-CG 3.28Å; F215-Y228 HydrophobicContact CE2-CG 3.28Å; F215-Y228 AromaticContact CZ-CD1 3.76Å; F215-Y228 HydrophobicContact CZ-CD1 3.76Å; F215-Y228 HydrophobicContact CZ-CD2 4.08Å; F215-Y228 AromaticContact CZ-CG 3.47Å; F215-Y228 HydrophobicContact CZ-CG 3.47Å; F215-Y228 VanDerWaalsContact CZ-CG 3.47Å; F215-Y228 PolarHBondContact N-O 3.27Å; F215-Y228 VanDerWaalsContact N-O 3.13Å; F215-Y228 PolarHBondContact O-N 3.1Å; F215-V265 HydrophobicContact CE1-CG1 3.89Å; F215-V265 HydrophobicContact CZ-CG1 4.17Å; F215-A267 HydrophobicContact CD1-CB 4.11Å; F215-A267 HydrophobicContact CD2-CB 3.66Å; F215-A267 HydrophobicContact CE1-CB 3.98Å; F215-A267 HydrophobicContact CE2-CB 3.5Å; F215-A267 HydrophobicContact CG-CB 3.97Å; F215-A267 HydrophobicContact CZ-CB 3.69Å; F215-L303 HydrophobicContact CE2-CD1 4.21Å; F215-L303 HydrophobicContact CZ-CD1 3.63Å
216	W	91.7	Very high	90.9	Very high	12 Å²	12	39.1 Å²	39.1	5%	0.045	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	148.3	170.3	-73.6	110	0	0	0	111.4	R173 F174 Y175 P176 W183 L185 L196 V227 F251	R173-W216 PolarHBondContact O-NE1 2.9Å; F174-W216 VanDerWaalsContact O-CD1 3.22Å; Y175-W216 HydrophobicContact CD2-CB 4.42Å; Y175-W216 AromaticContact CD2-CD2 3.74Å; Y175-W216 HydrophobicContact CD2-CD2 3.74Å; Y175-W216 AromaticContact CD2-CE3 3.61Å; Y175-W216 HydrophobicContact CD2-CE3 3.61Å; Y175-W216 HydrophobicContact CD2-CG 4.13Å; Y175-W216 HydrophobicContact CD2-CZ3 4.05Å; Y175-W216 HydrophobicContact CE2-CE3 4.21Å; Y175-W216 HydrophobicContact CG-CD2 4.49Å; P176-W216 HydrophobicContact CG-CB 4.14Å; W183-W216 HydrophobicContact CB-CH2 3.87Å; W183-W216 HydrophobicContact CB-CZ2 3.88Å; W183-W216 HydrophobicContact CE3-CH2 4.3Å; W183-W216 HydrophobicContact CE3-CZ3 4.35Å; L185-W216 HydrophobicContact CD1-CD2 3.76Å; L185-W216 HydrophobicContact CD1-CE3 4.29Å; L185-W216 HydrophobicContact CD1-CG 4.14Å; L185-W216 HydrophobicContact CD1-CH2 4.45Å; L185-W216 HydrophobicContact CD1-CZ2 3.94Å; L185-W216 HydrophobicContact CG-CD2 4.4Å; L185-W216 HydrophobicContact CG-CH2 4.28Å; L185-W216 HydrophobicContact CG-CZ2 3.64Å; L196-W216 HydrophobicContact CD1-CH2 3.64Å; L196-W216 HydrophobicContact CD1-CZ2 3.99Å; W216-V227 HydrophobicContact CE3-CG2 3.68Å; W216-V227 HydrophobicContact CH2-CG2 4.33Å; W216-V227 HydrophobicContact CZ3-CG2 3.57Å; W216-F251 HydrophobicContact CH2-CE1 4.34Å; W216-F251 HydrophobicContact CZ3-CE1 4.25Å
217	S	91.1	Very high	90.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.			trans	-69.4	141	168.3	-170.8	0	0	0	0	112.2	R177 Y219 D222 T226	R177-S217 PolarHBondContact NE-O 2.85Å; R177-S217 VanDerWaalsContact NE-O 3.11Å; S217-Y219 WeakPolarHBondContact OG-CD2 3.46Å; S217-Y219 PolarHBondContact OG-N 3.12Å; S217-D222 WeakPolarHBondContact CB-OD2 3.42Å; S217-D222 VanDerWaalsContact OG-CB 3.27Å; S217-D222 WeakPolarHBondContact OG-CB 3.25Å; S217-D222 PolarHBondContact OG-OD2 2.86Å; S217-T226 WeakPolarHBondContact CB-O 3.49Å; S217-T226 PolarHBondContact N-O 3.4Å
218	V	85.1	Confident	90.9	Very high	10 Å²	10	35.4 Å²	35.4	6%	0.061	19%	0.186	C	C	.	.			trans	-116	-6.6	172.9	-41.4	0	0	0	0	111.5	P176 P268 H301	P176-V218 HydrophobicContact CG-CG1 4.06Å; V218-P268 WeakPolarHBondContact CG1-O 3.13Å; V218-P268 HydrophobicContact CG2-CB 4Å; V218-P268 HydrophobicContact CG2-CG 3.44Å; V218-P268 VanDerWaalsContact CG2-CG 3.44Å; V218-H301 HydrophobicContact CG2-CB 4.32Å
219	Y	85.8	Confident	90.9	Very high	8 Å²	8	33.6 Å²	33.6	3%	0.031	18%	0.177	C	C	.	.			trans	-72.1	126.8	-175.9	-64.6	-85.3	0	0	0	109.7	R177 S217 M221 D222 Y228 H301 L303	R177-Y219 PolarHBondContact NH1-O 2.99Å; S217-Y219 WeakPolarHBondContact OG-CD2 3.46Å; S217-Y219 PolarHBondContact OG-N 3.12Å; Y219-M221 PolarHBondContact O-N 2.83Å; Y219-D222 PolarHBondContact O-N 3.03Å; Y219-D222 VanDerWaalsContact O-N 3.15Å; Y219-Y228 HydrophobicContact CD2-CE2 4.44Å; Y219-H301 HydrophobicContact CD1-CB 4.17Å; Y219-H301 HydrophobicContact CE1-CB 3.61Å; Y219-H301 WeakPolarHBondContact CE1-O 3.33Å; Y219-H301 PolarHBondContact OH-O 2.97Å; Y219-L303 WeakPolarHBondContact OH-CB 3.41Å; Y219-L303 PolarHBondContact OH-N 3.32Å
220	E	80.7	Confident	90.9	Very high	166 Å²	166	30.7 Å²	30.7	78%	0.776	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.4	-176.8	-57.5	-162.3	138.6	0	0	113.1
221	M	82.9	Confident	91	Very high	111 Å²	111	29.5 Å²	29.5	55%	0.547	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-14.8	176.5	60.6	-164.3	-64.3	0	0	114.8	Y219 D323	Y219-M221 PolarHBondContact O-N 2.83Å; M221-D323 HydrophobicContact CE-CB 3.99Å; M221-D323 WeakPolarHBondContact CE-O 3.17Å; M221-D323 VanDerWaalsContact SD-CA 3.59Å; M221-D323 HydrophobicContact SD-CB 4.23Å
222	D	89.4	Confident	90.8	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.059	17%	0.167	C	C	.	.	S	Bend	trans	-84.3	138.2	172.1	-86.4	-26	0	0	0	110.3	R177 S217 Y219 T226 Y228 K247	R177-D222 PolarHBondContact NH1-O 3.38Å; S217-D222 WeakPolarHBondContact CB-OD2 3.42Å; S217-D222 VanDerWaalsContact OG-CB 3.27Å; S217-D222 WeakPolarHBondContact OG-CB 3.25Å; S217-D222 PolarHBondContact OG-OD2 2.86Å; Y219-D222 PolarHBondContact O-N 3.03Å; Y219-D222 VanDerWaalsContact O-N 3.15Å; D222-T226 HydrophobicContact CB-CG2 4.05Å; D222-Y228 PolarHBondContact OD2-OH 2.93Å; D222-K247 IonicContact OD1-NZ 2.88Å; D222-K247 PolarHBondContact OD1-NZ 3.05Å; D222-K247 IonicContact OD2-NZ 3.81Å
223	P	92.1	Very high	90.6	Very high	63 Å²	63	32.4 Å²	32.4	41%	0.409	17%	0.167	S	C	.	.			trans	-49.6	152.4	169.8	-28.7	36.6	0	0	0	113.1	R177 E225 T226	R177-P223 PolarHBondContact NH2-O 3.22Å; P223-E225 VanDerWaalsContact CB-OE2 3.26Å; P223-E225 WeakPolarHBondContact CB-OE2 3.11Å; P223-E225 PolarHBondContact O-N 3.29Å; P223-E225 VanDerWaalsContact O-N 3.08Å; P223-T226 WeakPolarHBondContact O-CB 3.41Å; P223-T226 PolarHBondContact O-N 3.14Å; P223-T226 VanDerWaalsContact O-N 3.12Å; P223-T226 PolarHBondContact O-OG1 2.88Å
224	G	87.2	Confident	89.8	Confident	23 Å²	23	39.1 Å²	39.1	24%	0.237	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-38.2	-176.7	0	0	0	0	0	112.9	Y175 R177 T226	Y175-G224 VanDerWaalsContact CE2-O 3.24Å; Y175-G224 WeakPolarHBondContact CE2-O 3.22Å; Y175-G224 WeakPolarHBondContact OH-CA 3.34Å; Y175-G224 PolarHBondContact OH-O 3.38Å; Y175-G224 VanDerWaalsContact OH-O 3.13Å; R177-G224 PolarHBondContact NH2-O 2.97Å; G224-T226 PolarHBondContact O-N 2.84Å
225	E	91.5	Very high	88.2	Confident	73 Å²	73	44.1 Å²	44.1	34%	0.341	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	3.9	-173.1	-52.9	82.5	176.5	0	0	114.5	P223 F251	P223-E225 VanDerWaalsContact CB-OE2 3.26Å; P223-E225 WeakPolarHBondContact CB-OE2 3.11Å; P223-E225 PolarHBondContact O-N 3.29Å; P223-E225 VanDerWaalsContact O-N 3.08Å; E225-F251 HydrophobicContact CB-CD1 4.03Å; E225-F251 HydrophobicContact CB-CD2 3.96Å; E225-F251 HydrophobicContact CB-CE1 3.9Å; E225-F251 HydrophobicContact CB-CE2 3.84Å; E225-F251 HydrophobicContact CB-CG 4.06Å; E225-F251 HydrophobicContact CB-CZ 3.83Å; E225-F251 HydrophobicContact CG-CD2 3.83Å; E225-F251 HydrophobicContact CG-CE1 4.17Å; E225-F251 HydrophobicContact CG-CE2 3.34Å; E225-F251 HydrophobicContact CG-CG 4.44Å; E225-F251 HydrophobicContact CG-CZ 3.55Å
226	T	95.2	Very high	86.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	S	.	.			trans	-81.2	127.6	-167.7	-53.8	0	0	0	0	114	S217 D222 P223 G224 Y228 K247 S248 S249	S217-T226 WeakPolarHBondContact CB-O 3.49Å; S217-T226 PolarHBondContact N-O 3.4Å; D222-T226 HydrophobicContact CB-CG2 4.05Å; P223-T226 WeakPolarHBondContact O-CB 3.41Å; P223-T226 PolarHBondContact O-N 3.14Å; P223-T226 VanDerWaalsContact O-N 3.12Å; P223-T226 PolarHBondContact O-OG1 2.88Å; G224-T226 PolarHBondContact O-N 2.84Å; T226-Y228 HydrophobicContact CG2-CE2 4.17Å; T226-K247 HydrophobicContact CG2-CB 4.48Å; T226-K247 HydrophobicContact CG2-CD 4.07Å; T226-K247 HydrophobicContact CG2-CG 4.5Å; T226-S248 CarbonylContact C-O 3.54Å; T226-S248 WeakPolarHBondContact CA-O 3.44Å; T226-S248 WeakPolarHBondContact CG2-O 3.41Å; T226-S249 WeakPolarHBondContact OG1-CB 3.34Å; T226-S249 PolarHBondContact OG1-OG 2.96Å
227	V	95.5	Very high	84.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.2	-179.6	-179.5	0	0	0	0	110	L185 I207 W216 K247 S248 W255	L185-V227 HydrophobicContact CD1-CB 4.48Å; L185-V227 HydrophobicContact CD1-CG1 3.63Å; L185-V227 HydrophobicContact CD1-CG2 4.02Å; L185-V227 HydrophobicContact CD2-CG1 4.41Å; I207-V227 HydrophobicContact CD1-CG1 4.4Å; W216-V227 HydrophobicContact CE3-CG2 3.68Å; W216-V227 HydrophobicContact CH2-CG2 4.33Å; W216-V227 HydrophobicContact CZ3-CG2 3.57Å; V227-K247 CarbonylContact O-C 3.54Å; V227-K247 VanDerWaalsContact O-CA 3.26Å; V227-K247 WeakPolarHBondContact O-CA 3.16Å; V227-S248 PolarHBondContact N-O 3.19Å; V227-S248 PolarHBondContact O-N 3.43Å; V227-W255 HydrophobicContact CB-CH2 4.48Å; V227-W255 HydrophobicContact CG1-CH2 4.26Å
228	Y	96.1	Very high	82.8	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	144.1	173.6	-68.1	-101.4	0	0	0	111.3	F215 Y219 D222 T226 L245 A246 K247 L258 L303 G324	F215-Y228 AromaticContact CD2-CD2 3.78Å; F215-Y228 HydrophobicContact CD2-CD2 3.78Å; F215-Y228 AromaticContact CD2-CG 3.94Å; F215-Y228 HydrophobicContact CD2-CG 3.94Å; F215-Y228 HydrophobicContact CE1-CG 4.27Å; F215-Y228 VanDerWaalsContact CE2-CB 3.42Å; F215-Y228 AromaticContact CE2-CD1 3.87Å; F215-Y228 HydrophobicContact CE2-CD1 3.87Å; F215-Y228 AromaticContact CE2-CD2 3.38Å; F215-Y228 HydrophobicContact CE2-CD2 3.38Å; F215-Y228 HydrophobicContact CE2-CE1 4.47Å; F215-Y228 HydrophobicContact CE2-CE2 4.04Å; F215-Y228 AromaticContact CE2-CG 3.28Å; F215-Y228 HydrophobicContact CE2-CG 3.28Å; F215-Y228 AromaticContact CZ-CD1 3.76Å; F215-Y228 HydrophobicContact CZ-CD1 3.76Å; F215-Y228 HydrophobicContact CZ-CD2 4.08Å; F215-Y228 AromaticContact CZ-CG 3.47Å; F215-Y228 HydrophobicContact CZ-CG 3.47Å; F215-Y228 VanDerWaalsContact CZ-CG 3.47Å; F215-Y228 PolarHBondContact N-O 3.27Å; F215-Y228 VanDerWaalsContact N-O 3.13Å; F215-Y228 PolarHBondContact O-N 3.1Å; Y219-Y228 HydrophobicContact CD2-CE2 4.44Å; D222-Y228 PolarHBondContact OD2-OH 2.93Å; T226-Y228 HydrophobicContact CG2-CE2 4.17Å; Y228-L245 HydrophobicContact CD1-CD1 4.38Å; Y228-A246 WeakPolarHBondContact CA-O 3.45Å; Y228-K247 HydrophobicContact CD1-CB 3.66Å; Y228-K247 HydrophobicContact CD1-CD 4.49Å; Y228-K247 HydrophobicContact CD2-CB 4.48Å; Y228-K247 HydrophobicContact CE1-CB 3.77Å; Y228-K247 HydrophobicContact CE1-CD 3.72Å; Y228-K247 HydrophobicContact CE1-CG 4.32Å; Y228-K247 HydrophobicContact CE2-CD 4.46Å; Y228-K247 HydrophobicContact CG-CB 4.04Å; Y228-L258 HydrophobicContact CD1-CD1 3.93Å; Y228-L258 HydrophobicContact CE1-CD1 3.62Å; Y228-L303 HydrophobicContact CD1-CD2 4.39Å; Y228-L303 HydrophobicContact CE1-CD2 3.88Å; Y228-G324 WeakPolarHBondContact OH-CA 3.46Å; Y228-G324 PolarHBondContact OH-O 2.86Å
229	I	96.1	Very high	81.2	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.6	173	61.7	176.8	0	0	0	112	L194 H208 V211 D213 Y231 L245 A246 W255	L194-I229 HydrophobicContact CD2-CG2 3.45Å; L194-I229 VanDerWaalsContact CD2-CG2 3.45Å; H208-I229 HydrophobicContact CB-CD1 3.97Å; H208-I229 WeakPolarHBondContact CD2-CD1 3.4Å; V211-I229 HydrophobicContact CG1-CB 4.37Å; V211-I229 HydrophobicContact CG1-CG2 4.24Å; V211-I229 HydrophobicContact CG2-CD1 4.49Å; V211-I229 HydrophobicContact CG2-CG2 4.33Å; D213-I229 CarbonylContact O-C 3.58Å; D213-I229 VanDerWaalsContact O-CA 3.24Å; D213-I229 WeakPolarHBondContact O-CA 3.22Å; I229-Y231 HydrophobicContact CD1-CD1 3.91Å; I229-Y231 HydrophobicContact CD1-CG 4.27Å; I229-Y231 HydrophobicContact CG1-CD1 4.14Å; I229-L245 WeakPolarHBondContact O-CA 3.08Å; I229-L245 WeakPolarHBondContact O-CD1 3.14Å; I229-A246 HydrophobicContact CG1-CB 4.06Å; I229-A246 PolarHBondContact N-O 3.38Å; I229-A246 PolarHBondContact O-N 2.98Å; I229-W255 HydrophobicContact CB-CH2 4.49Å; I229-W255 HydrophobicContact CB-CZ3 4.21Å; I229-W255 HydrophobicContact CD1-CD2 4.07Å; I229-W255 HydrophobicContact CD1-CE3 3.7Å; I229-W255 HydrophobicContact CD1-CH2 3.92Å; I229-W255 HydrophobicContact CD1-CZ2 4.25Å; I229-W255 HydrophobicContact CD1-CZ3 3.62Å; I229-W255 HydrophobicContact CG1-CE3 3.88Å; I229-W255 HydrophobicContact CG1-CH2 4.15Å; I229-W255 HydrophobicContact CG1-CZ3 3.56Å; I229-W255 HydrophobicContact CG2-CH2 3.62Å; I229-W255 HydrophobicContact CG2-CZ3 3.77Å
230	L	95.1	Very high	79.8	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.01	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.3	161.4	-172.8	67	0	0	0	106.5	V212 D213 H243 I244 L245 V262 V265	V212-L230 WeakPolarHBondContact CA-O 3.47Å; V212-L230 WeakPolarHBondContact CB-O 3.3Å; V212-L230 PolarHBondContact N-O 2.73Å; D213-L230 HydrophobicContact CB-CB 4.02Å; D213-L230 HydrophobicContact CB-CD2 4.46Å; D213-L230 PolarHBondContact N-O 2.75Å; D213-L230 PolarHBondContact O-N 3Å; L230-H243 HydrophobicContact CD1-CB 3.52Å; L230-H243 HydrophobicContact CD2-CB 4.4Å; L230-H243 HydrophobicContact CG-CB 3.72Å; L230-I244 WeakPolarHBondContact CA-O 3.36Å; L230-L245 HydrophobicContact CD1-CB 4.37Å; L230-V262 HydrophobicContact CD1-CB 3.89Å; L230-V262 HydrophobicContact CD1-CG1 3.64Å; L230-V265 HydrophobicContact CD1-CG2 4Å; L230-V265 HydrophobicContact CD2-CG2 4.32Å
231	Y	94.4	Very high	78.9	Confident	33 Å²	33	64.6 Å²	64.6	13%	0.129	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.5	-170.7	82.6	-84	0	0	0	113.5	H208 N210 I229 H243 I244 A246 E257	H208-Y231 AromaticContact CE1-CD2 3.42Å; H208-Y231 VanDerWaalsContact CE1-CD2 3.42Å; H208-Y231 WeakPolarHBondContact CE1-CD2 3.44Å; H208-Y231 AromaticContact CE1-CE2 3.84Å; H208-Y231 AromaticContact CE1-CG 3.61Å; N210-Y231 WeakPolarHBondContact O-CA 3.4Å; I229-Y231 HydrophobicContact CD1-CD1 3.91Å; I229-Y231 HydrophobicContact CD1-CG 4.27Å; I229-Y231 HydrophobicContact CG1-CD1 4.14Å; Y231-H243 CarbonylContact O-C 3.54Å; Y231-H243 WeakPolarHBondContact O-CA 3.45Å; Y231-I244 HydrophobicContact CD1-CB 4.08Å; Y231-I244 HydrophobicContact CD1-CG2 4.42Å; Y231-I244 VanDerWaalsContact CD1-O 3.3Å; Y231-I244 WeakPolarHBondContact CD1-O 3.28Å; Y231-I244 HydrophobicContact CE1-CB 3.58Å; Y231-I244 HydrophobicContact CE1-CG2 3.62Å; Y231-I244 PolarHBondContact N-O 3.31Å; Y231-I244 PolarHBondContact O-N 2.89Å; Y231-A246 HydrophobicContact CD1-CB 4.46Å; Y231-A246 HydrophobicContact CE1-CB 4.13Å; Y231-E257 PolarHBondContact OH-OE1 3.43Å
232	H	90.5	Very high	78.7	Confident	65 Å²	65	63.8 Å²	63.8	30%	0.301	35%	0.347	S	S	.	.			trans	-86.2	124.9	173.1	-68.9	92.2	0	0	0	111.4	N210 V212 Q234 H243	N210-H232 HydrophobicContact CB-CB 4.17Å; N210-H232 PolarHBondContact O-N 3.07Å; V212-H232 WeakPolarHBondContact CG2-CE1 3.42Å; V212-H232 VanDerWaalsContact CG2-ND1 3.31Å; V212-H232 WeakPolarHBondContact CG2-ND1 3.42Å; H232-Q234 PolarHBondContact O-N 2.87Å; H232-H243 AromaticContact CD2-CE1 3.92Å; H232-H243 AromaticContact CD2-ND1 3.63Å; H232-H243 AromaticContact CE1-CE1 3.61Å; H232-H243 AromaticContact CE1-ND1 3.68Å; H232-H243 AromaticContact NE2-CE1 3.23Å; H232-H243 PolarHBondContact NE2-CE1 3.37Å; H232-H243 AromaticContact NE2-ND1 3.38Å; H232-H243 PolarHBondContact NE2-ND1 3.31Å
233	P	85.9	Confident	78.8	Confident	45 Å²	45	64.5 Å²	64.5	29%	0.292	35%	0.35	S	S	.	.			trans	-68.5	128.4	173.9	27.6	-32.8	0	0	0	111	S235 R242 I244	P233-S235 PolarHBondContact O-N 3.36Å; P233-R242 WeakPolarHBondContact CD-O 3.38Å; P233-I244 HydrophobicContact CB-CD1 3.95Å; P233-I244 HydrophobicContact CG-CD1 4.14Å; P233-I244 HydrophobicContact CG-CG1 4.41Å
234	Q	73.4	Confident	79	Confident	162 Å²	162	62.2 Å²	62.2	76%	0.757	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-8.1	-178.5	-64	-176.6	2.5	0	0	114.7	H232 S236	H232-Q234 PolarHBondContact O-N 2.87Å; Q234-S236 PolarHBondContact O-N 3.42Å
235	S	61.5	Low	79.4	Confident	118 Å²	118	61.1 Å²	61.1	83%	0.825	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	3.8	-166.9	-168.3	0	0	0	0	116	P233	P233-S235 PolarHBondContact O-N 3.36Å
236	S	52.2	Low	79.6	Confident	62 Å²	62	57.7 Å²	57.7	43%	0.434	31%	0.307	S	S	.	.			trans	-147.2	122.2	178.9	-176	0	0	0	0	114	Q234 N238 A239	Q234-S236 PolarHBondContact O-N 3.42Å; S236-N238 PolarHBondContact O-N 2.84Å; S236-N238 PolarHBondContact OG-N 3.33Å; S236-N238 VanDerWaalsContact OG-N 3.17Å; S236-A239 WeakPolarHBondContact OG-CB 3.44Å; S236-A239 PolarHBondContact OG-N 2.65Å
237	K	54.3	Low	79.7	Confident	213 Å²	213	58.7 Å²	58.7	93%	0.926	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-4.4	169.6	-64.9	-170.9	176.4	-175.3	0	113.8
238	N	53.5	Low	79.8	Confident	153 Å²	153	58.7 Å²	58.7	82%	0.818	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	11.8	-170.9	-66.7	14.6	0	0	0	113.5	S236	S236-N238 PolarHBondContact O-N 2.84Å; S236-N238 PolarHBondContact OG-N 3.33Å; S236-N238 VanDerWaalsContact OG-N 3.17Å
239	A	51.4	Low	79.7	Confident	35 Å²	35	60.9 Å²	60.9	29%	0.289	33%	0.327	S	S	.	.			trans	-117.6	79	-179.3	0	0	0	0	0	110.9	S236 E241	S236-A239 WeakPolarHBondContact OG-CB 3.44Å; S236-A239 PolarHBondContact OG-N 2.65Å; A239-E241 VanDerWaalsContact C-N 3.32Å; A239-E241 PolarHBondContact O-N 2.7Å
240	S	56.5	Low	79.7	Confident	96 Å²	96	63 Å²	63	67%	0.671	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-8.1	-168.7	48.2	0	0	0	0	116.3
241	E	62.7	Low	79.6	Confident	91 Å²	91	64.8 Å²	64.8	43%	0.425	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.3	25.3	-166.1	-63.3	176.5	171.5	0	0	112.9	A239 S1197	A239-E241 VanDerWaalsContact C-N 3.32Å; A239-E241 PolarHBondContact O-N 2.7Å; E241-S1197 PolarHBondContact OE1-OG 2.99Å
242	R	79.3	Confident	79.6	Confident	94 Å²	94	63.6 Å²	63.6	36%	0.355	34%	0.344	S	S	.	.			trans	-124.2	98.4	-175.2	-69	172.4	-179	-127.7	9.3	110.5	P233 D261	P233-R242 WeakPolarHBondContact CD-O 3.38Å; R242-D261 WeakPolarHBondContact CD-OD1 3.24Å; R242-D261 WeakPolarHBondContact CG-OD1 3.45Å; R242-D261 IonicContact CZ-OD1 3.36Å; R242-D261 IonicContact NE-OD1 2.66Å; R242-D261 IonicContact NH1-OD1 3.4Å; R242-D261 PolarHBondContact NH1-OD1 3.27Å
243	H	91.1	Very high	79.8	Confident	27 Å²	27	66.6 Å²	66.6	13%	0.125	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	162.6	179.6	-43.2	-57	0	0	0	111.2	L230 Y231 H232 D261 V262	L230-H243 HydrophobicContact CD1-CB 3.52Å; L230-H243 HydrophobicContact CD2-CB 4.4Å; L230-H243 HydrophobicContact CG-CB 3.72Å; Y231-H243 CarbonylContact O-C 3.54Å; Y231-H243 WeakPolarHBondContact O-CA 3.45Å; H232-H243 AromaticContact CD2-CE1 3.92Å; H232-H243 AromaticContact CD2-ND1 3.63Å; H232-H243 AromaticContact CE1-CE1 3.61Å; H232-H243 AromaticContact CE1-ND1 3.68Å; H232-H243 AromaticContact NE2-CE1 3.23Å; H232-H243 PolarHBondContact NE2-CE1 3.37Å; H232-H243 AromaticContact NE2-ND1 3.38Å; H232-H243 PolarHBondContact NE2-ND1 3.31Å; H243-D261 PolarHBondContact O-N 2.92Å; H243-V262 WeakPolarHBondContact CB-O 3.48Å; H243-V262 PolarHBondContact CD2-O 3.41Å; H243-V262 VanDerWaalsContact CD2-O 3.27Å; H243-V262 PolarHBondContact N-O 3.13Å; H243-V262 VanDerWaalsContact N-O 3.13Å; H243-V262 PolarHBondContact O-N 2.84Å
244	I	94.8	Very high	80.3	Confident	15 Å²	15	68.7 Å²	68.7	8%	0.077	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.7	171.1	-61.5	-178.4	0	0	0	108	L230 Y231 P233 E257 K260	L230-I244 WeakPolarHBondContact CA-O 3.36Å; Y231-I244 HydrophobicContact CD1-CB 4.08Å; Y231-I244 HydrophobicContact CD1-CG2 4.42Å; Y231-I244 VanDerWaalsContact CD1-O 3.3Å; Y231-I244 WeakPolarHBondContact CD1-O 3.28Å; Y231-I244 HydrophobicContact CE1-CB 3.58Å; Y231-I244 HydrophobicContact CE1-CG2 3.62Å; Y231-I244 PolarHBondContact N-O 3.31Å; Y231-I244 PolarHBondContact O-N 2.89Å; P233-I244 HydrophobicContact CB-CD1 3.95Å; P233-I244 HydrophobicContact CG-CD1 4.14Å; P233-I244 HydrophobicContact CG-CG1 4.41Å; I244-E257 WeakPolarHBondContact CD1-OE1 3.48Å; I244-E257 HydrophobicContact CG2-CB 4.18Å; I244-E257 HydrophobicContact CG2-CG 4.03Å; I244-K260 HydrophobicContact CD1-CD 4.41Å; I244-K260 HydrophobicContact CD1-CG 4.45Å; I244-K260 HydrophobicContact CG1-CG 4.34Å; I244-K260 HydrophobicContact CG2-CG 4.42Å
245	L	96.3	Very high	81.4	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.5	169.7	174.1	59.5	0	0	0	108.3	Y228 I229 L230 L258 L259 V262 V265 L303 A305 F328	Y228-L245 HydrophobicContact CD1-CD1 4.38Å; I229-L245 WeakPolarHBondContact O-CA 3.08Å; I229-L245 WeakPolarHBondContact O-CD1 3.14Å; L230-L245 HydrophobicContact CD1-CB 4.37Å; L245-L258 HydrophobicContact CG-CB 4.38Å; L245-L258 HydrophobicContact CG-CD1 4.42Å; L245-L258 PolarHBondContact O-N 2.86Å; L245-L259 HydrophobicContact CB-CB 4.29Å; L245-L259 PolarHBondContact N-O 3.25Å; L245-L259 PolarHBondContact O-N 3.49Å; L245-V262 HydrophobicContact CB-CG2 4.09Å; L245-V265 HydrophobicContact CD1-CG2 4.32Å; L245-V265 HydrophobicContact CD2-CG2 4.17Å; L245-L303 HydrophobicContact CD2-CD2 4.46Å; L245-A305 HydrophobicContact CD2-CB 4.4Å; L245-F328 HydrophobicContact CD2-CZ 3.93Å
246	A	96.6	Very high	83.1	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158.6	178.7	0	0	0	0	0	111.2	Y228 I229 Y231 W255 T256	Y228-A246 WeakPolarHBondContact CA-O 3.45Å; I229-A246 HydrophobicContact CG1-CB 4.06Å; I229-A246 PolarHBondContact N-O 3.38Å; I229-A246 PolarHBondContact O-N 2.98Å; Y231-A246 HydrophobicContact CD1-CB 4.46Å; Y231-A246 HydrophobicContact CE1-CB 4.13Å; A246-W255 HydrophobicContact CB-CE3 4.43Å; A246-T256 CarbonylContact C-O 3.59Å; A246-T256 WeakPolarHBondContact CA-O 3.33Å; A246-T256 WeakPolarHBondContact CB-O 3.3Å
247	K	96.2	Very high	85.1	Confident	20 Å²	20	63.6 Å²	63.6	9%	0.087	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.9	167.5	81.2	-177.8	-176	179.1	0	112.9	D222 T226 V227 Y228 T256 L258 G324	D222-K247 IonicContact OD1-NZ 2.88Å; D222-K247 PolarHBondContact OD1-NZ 3.05Å; D222-K247 IonicContact OD2-NZ 3.81Å; T226-K247 HydrophobicContact CG2-CB 4.48Å; T226-K247 HydrophobicContact CG2-CD 4.07Å; T226-K247 HydrophobicContact CG2-CG 4.5Å; V227-K247 CarbonylContact O-C 3.54Å; V227-K247 VanDerWaalsContact O-CA 3.26Å; V227-K247 WeakPolarHBondContact O-CA 3.16Å; Y228-K247 HydrophobicContact CD1-CB 3.66Å; Y228-K247 HydrophobicContact CD1-CD 4.49Å; Y228-K247 HydrophobicContact CD2-CB 4.48Å; Y228-K247 HydrophobicContact CE1-CB 3.77Å; Y228-K247 HydrophobicContact CE1-CD 3.72Å; Y228-K247 HydrophobicContact CE1-CG 4.32Å; Y228-K247 HydrophobicContact CE2-CD 4.46Å; Y228-K247 HydrophobicContact CG-CB 4.04Å; K247-T256 PolarHBondContact N-O 3.48Å; K247-T256 PolarHBondContact O-N 3.4Å; K247-L258 HydrophobicContact CB-CD1 4.04Å; K247-L258 HydrophobicContact CD-CD1 4.12Å; K247-L258 HydrophobicContact CD-CD2 4.48Å; K247-L258 HydrophobicContact CG-CD1 4.06Å; K247-L258 HydrophobicContact CG-CD2 4.22Å; K247-L258 HydrophobicContact CG-CG 4.48Å; K247-G324 PolarHBondContact NZ-O 2.74Å
248	S	97.3	Very high	87.1	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.007	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.7	168.9	129.7	0	0	0	0	107.2	T226 V227 D250 F251 G252 T254	T226-S248 CarbonylContact C-O 3.54Å; T226-S248 WeakPolarHBondContact CA-O 3.44Å; T226-S248 WeakPolarHBondContact CG2-O 3.41Å; V227-S248 PolarHBondContact N-O 3.19Å; V227-S248 PolarHBondContact O-N 3.43Å; S248-D250 PolarHBondContact OG-N 2.73Å; S248-F251 PolarHBondContact OG-N 3.3Å; S248-G252 WeakPolarHBondContact OG-CA 3.17Å; S248-G252 PolarHBondContact OG-N 3.42Å; S248-T254 WeakPolarHBondContact CA-O 3.23Å; S248-T254 VanDerWaalsContact CB-O 3.22Å; S248-T254 WeakPolarHBondContact CB-O 3.26Å
249	S	95.3	Very high	89	Confident	46 Å²	46	49.2 Å²	49.2	32%	0.322	27%	0.266	S	S	.	.	S	Bend	trans	-110.9	20.7	170	-68.2	0	0	0	0	113.3	T226	T226-S249 WeakPolarHBondContact OG1-CB 3.34Å; T226-S249 PolarHBondContact OG1-OG 2.96Å
250	D	95.2	Very high	90.9	Very high	44 Å²	44	52.5 Å²	52.5	24%	0.235	27%	0.273	C	S	.	.	S	Bend	trans	-144.2	34.3	-172.8	63.2	9.6	0	0	0	113.5	S248 G252 L253 T254	S248-D250 PolarHBondContact OG-N 2.73Å; D250-G252 VanDerWaalsContact C-N 3.32Å; D250-G252 PolarHBondContact O-N 2.62Å; D250-L253 HydrophobicContact CB-CB 4.45Å; D250-L253 WeakPolarHBondContact O-CD1 3.5Å; D250-L253 WeakPolarHBondContact O-CG 3.43Å; D250-L253 WeakPolarHBondContact OD1-CA 3.43Å; D250-L253 PolarHBondContact OD1-N 2.82Å; D250-T254 VanDerWaalsContact CG-N 3.33Å; D250-T254 PolarHBondContact OD1-N 3.41Å; D250-T254 WeakPolarHBondContact OD2-CB 3.16Å; D250-T254 WeakPolarHBondContact OD2-CG2 3.36Å; D250-T254 PolarHBondContact OD2-N 2.8Å; D250-T254 PolarHBondContact OD2-OG1 2.73Å
251	F	94.2	Very high	92.6	Very high	39 Å²	39	50.1 Å²	50.1	17%	0.171	25%	0.253	C	S	.	.	S	Bend	trans	57.2	38.5	-176.3	-63	-56.8	0	0	0	114.4	W183 L196 L198 K205 I207 W216 E225 S248	W183-F251 HydrophobicContact CD2-CE1 4.17Å; W183-F251 HydrophobicContact CD2-CZ 4.07Å; W183-F251 AromaticContact CE2-CZ 3.96Å; W183-F251 AromaticContact CE3-CE1 3.87Å; W183-F251 HydrophobicContact CE3-CE1 3.87Å; W183-F251 AromaticContact CE3-CZ 3.93Å; W183-F251 HydrophobicContact CE3-CZ 3.93Å; W183-F251 HydrophobicContact CH2-CE1 4.38Å; W183-F251 AromaticContact CH2-CZ 3.66Å; W183-F251 HydrophobicContact CH2-CZ 3.66Å; W183-F251 AromaticContact CZ2-CZ 3.78Å; W183-F251 HydrophobicContact CZ2-CZ 3.78Å; W183-F251 AromaticContact CZ3-CE1 3.98Å; W183-F251 HydrophobicContact CZ3-CE1 3.98Å; W183-F251 AromaticContact CZ3-CZ 3.73Å; W183-F251 HydrophobicContact CZ3-CZ 3.73Å; L196-F251 HydrophobicContact CD2-CB 3.62Å; L196-F251 HydrophobicContact CD2-CD1 3.68Å; L196-F251 HydrophobicContact CD2-CG 3.95Å; L198-F251 HydrophobicContact CD1-CD2 4.14Å; L198-F251 HydrophobicContact CD1-CE2 4.07Å; L198-F251 HydrophobicContact CD1-CG 4.45Å; L198-F251 HydrophobicContact CD1-CZ 4.32Å; L198-F251 HydrophobicContact CD2-CD1 3.94Å; L198-F251 HydrophobicContact CD2-CE1 3.52Å; L198-F251 HydrophobicContact CD2-CE2 4.26Å; L198-F251 HydrophobicContact CD2-CG 4.47Å; L198-F251 HydrophobicContact CD2-CZ 3.69Å; K205-F251 PolarHBondContact NZ-O 2.83Å; I207-F251 WeakPolarHBondContact CG2-O 3.47Å; W216-F251 HydrophobicContact CH2-CE1 4.34Å; W216-F251 HydrophobicContact CZ3-CE1 4.25Å; E225-F251 HydrophobicContact CB-CD1 4.03Å; E225-F251 HydrophobicContact CB-CD2 3.96Å; E225-F251 HydrophobicContact CB-CE1 3.9Å; E225-F251 HydrophobicContact CB-CE2 3.84Å; E225-F251 HydrophobicContact CB-CG 4.06Å; E225-F251 HydrophobicContact CB-CZ 3.83Å; E225-F251 HydrophobicContact CG-CD2 3.83Å; E225-F251 HydrophobicContact CG-CE1 4.17Å; E225-F251 HydrophobicContact CG-CE2 3.34Å; E225-F251 HydrophobicContact CG-CG 4.44Å; E225-F251 HydrophobicContact CG-CZ 3.55Å; S248-F251 PolarHBondContact OG-N 3.3Å
252	G	94.4	Very high	94	Very high	9 Å²	9	45.8 Å²	45.8	9%	0.093	23%	0.233	C	C	.	.	S	Bend	trans	68.7	49.2	176.7	0	0	0	0	0	112.1	K205 S248 D250	K205-G252 PolarHBondContact NZ-O 3.39Å; S248-G252 WeakPolarHBondContact OG-CA 3.17Å; S248-G252 PolarHBondContact OG-N 3.42Å; D250-G252 VanDerWaalsContact C-N 3.32Å; D250-G252 PolarHBondContact O-N 2.62Å
253	L	94.5	Very high	94.4	Very high	128 Å²	128	44.2 Å²	44.2	67%	0.67	23%	0.231	S	C	*	.	S	Bend	trans	-101.5	-33.7	165.3	-62.4	170.5	0	0	0	110.4	D250	D250-L253 HydrophobicContact CB-CB 4.45Å; D250-L253 WeakPolarHBondContact O-CD1 3.5Å; D250-L253 WeakPolarHBondContact O-CG 3.43Å; D250-L253 WeakPolarHBondContact OD1-CA 3.43Å; D250-L253 PolarHBondContact OD1-N 2.82Å
254	T	96.5	Very high	94.3	Very high	88 Å²	88	44.3 Å²	44.3	54%	0.54	23%	0.23	S	C	.	.	S	Bend	trans	-133.1	145	171.1	65.3	0	0	0	0	111.3	S248 D250	S248-T254 WeakPolarHBondContact CA-O 3.23Å; S248-T254 VanDerWaalsContact CB-O 3.22Å; S248-T254 WeakPolarHBondContact CB-O 3.26Å; D250-T254 VanDerWaalsContact CG-N 3.33Å; D250-T254 PolarHBondContact OD1-N 3.41Å; D250-T254 WeakPolarHBondContact OD2-CB 3.16Å; D250-T254 WeakPolarHBondContact OD2-CG2 3.36Å; D250-T254 PolarHBondContact OD2-N 2.8Å; D250-T254 PolarHBondContact OD2-OG1 2.73Å
255	W	96.1	Very high	94.2	Very high	64 Å²	64	44.2 Å²	44.2	24%	0.242	23%	0.23	C	C	.	.			trans	-125.8	130.6	-177.1	-67.8	96.5	0	0	0	110.3	I207 H208 V227 I229 A246	I207-W255 HydrophobicContact CB-CZ2 4.39Å; I207-W255 HydrophobicContact CD1-CH2 4.33Å; I207-W255 HydrophobicContact CD1-CZ2 4.2Å; I207-W255 HydrophobicContact CG1-CZ2 4.42Å; I207-W255 PolarHBondContact O-NE1 3.06Å; H208-W255 HydrophobicContact CB-CZ2 4.02Å; H208-W255 AromaticContact CD2-CD1 3.89Å; H208-W255 AromaticContact CD2-CE2 3.76Å; H208-W255 AromaticContact CD2-NE1 3.62Å; V227-W255 HydrophobicContact CB-CH2 4.48Å; V227-W255 HydrophobicContact CG1-CH2 4.26Å; I229-W255 HydrophobicContact CB-CH2 4.49Å; I229-W255 HydrophobicContact CB-CZ3 4.21Å; I229-W255 HydrophobicContact CD1-CD2 4.07Å; I229-W255 HydrophobicContact CD1-CE3 3.7Å; I229-W255 HydrophobicContact CD1-CH2 3.92Å; I229-W255 HydrophobicContact CD1-CZ2 4.25Å; I229-W255 HydrophobicContact CD1-CZ3 3.62Å; I229-W255 HydrophobicContact CG1-CE3 3.88Å; I229-W255 HydrophobicContact CG1-CH2 4.15Å; I229-W255 HydrophobicContact CG1-CZ3 3.56Å; I229-W255 HydrophobicContact CG2-CH2 3.62Å; I229-W255 HydrophobicContact CG2-CZ3 3.77Å; A246-W255 HydrophobicContact CB-CE3 4.43Å
256	T	96.1	Very high	93.9	Very high	85 Å²	85	45.1 Å²	45.1	52%	0.521	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.4	174.8	-55.7	0	0	0	0	108.6	A246 K247 L258	A246-T256 CarbonylContact C-O 3.59Å; A246-T256 WeakPolarHBondContact CA-O 3.33Å; A246-T256 WeakPolarHBondContact CB-O 3.3Å; K247-T256 PolarHBondContact N-O 3.48Å; K247-T256 PolarHBondContact O-N 3.4Å; T256-L258 HydrophobicContact CG2-CD2 4.11Å
257	E	95.3	Very high	93.5	Very high	87 Å²	87	46.1 Å²	46.1	41%	0.407	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.5	172.2	-59.6	-175.7	123.5	0	0	109.8	Y231 I244 K260	Y231-E257 PolarHBondContact OH-OE1 3.43Å; I244-E257 WeakPolarHBondContact CD1-OE1 3.48Å; I244-E257 HydrophobicContact CG2-CB 4.18Å; I244-E257 HydrophobicContact CG2-CG 4.03Å; E257-K260 IonicContact OE1-NZ 2.76Å; E257-K260 PolarHBondContact OE1-NZ 2.93Å; E257-K260 WeakPolarHBondContact OE2-CE 3.39Å; E257-K260 IonicContact OE2-NZ 2.75Å; E257-K260 PolarHBondContact OE2-NZ 2.86Å
258	L	95.2	Very high	92.6	Very high	35 Å²	35	46 Å²	46	18%	0.183	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-40.4	-176.3	-53.7	-179.1	0	0	0	112.1	Y228 L245 K247 T256 F328	Y228-L258 HydrophobicContact CD1-CD1 3.93Å; Y228-L258 HydrophobicContact CE1-CD1 3.62Å; L245-L258 HydrophobicContact CG-CB 4.38Å; L245-L258 HydrophobicContact CG-CD1 4.42Å; L245-L258 PolarHBondContact O-N 2.86Å; K247-L258 HydrophobicContact CB-CD1 4.04Å; K247-L258 HydrophobicContact CD-CD1 4.12Å; K247-L258 HydrophobicContact CD-CD2 4.48Å; K247-L258 HydrophobicContact CG-CD1 4.06Å; K247-L258 HydrophobicContact CG-CD2 4.22Å; K247-L258 HydrophobicContact CG-CG 4.48Å; T256-L258 HydrophobicContact CG2-CD2 4.11Å; L258-F328 HydrophobicContact CB-CE2 4.12Å
259	L	94.1	Very high	90.9	Very high	28 Å²	28	50.2 Å²	50.2	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	146	-177.9	-166	62.9	0	0	0	111.2	L245 V262 A305 H307 F328	L245-L259 HydrophobicContact CB-CB 4.29Å; L245-L259 PolarHBondContact N-O 3.25Å; L245-L259 PolarHBondContact O-N 3.49Å; L259-V262 HydrophobicContact CB-CG2 3.85Å; L259-V262 HydrophobicContact CD2-CG2 3.98Å; L259-V262 HydrophobicContact CG-CG2 3.76Å; L259-V262 WeakPolarHBondContact O-CG2 3.39Å; L259-A305 HydrophobicContact CD2-CB 3.59Å; L259-H307 HydrophobicContact CD2-CB 4.18Å; L259-H307 HydrophobicContact CG-CB 4.47Å; L259-F328 HydrophobicContact CD2-CD1 4.48Å
260	K	92.3	Very high	88.9	Confident	105 Å²	105	48.5 Å²	48.5	46%	0.457	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	163.3	-176.1	-57.1	-165.5	180	-157.2	0	111.6	I244 E257 V262	I244-K260 HydrophobicContact CD1-CD 4.41Å; I244-K260 HydrophobicContact CD1-CG 4.45Å; I244-K260 HydrophobicContact CG1-CG 4.34Å; I244-K260 HydrophobicContact CG2-CG 4.42Å; E257-K260 IonicContact OE1-NZ 2.76Å; E257-K260 PolarHBondContact OE1-NZ 2.93Å; E257-K260 WeakPolarHBondContact OE2-CE 3.39Å; E257-K260 IonicContact OE2-NZ 2.75Å; E257-K260 PolarHBondContact OE2-NZ 2.86Å; K260-V262 PolarHBondContact O-N 3.15Å
261	D	90.9	Very high	86.9	Confident	45 Å²	45	49.2 Å²	49.2	24%	0.241	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	51.7	39.3	-173.8	-65.3	-77	0	0	0	111.9	R242 H243 H307 F308 T311	R242-D261 WeakPolarHBondContact CD-OD1 3.24Å; R242-D261 WeakPolarHBondContact CG-OD1 3.45Å; R242-D261 IonicContact CZ-OD1 3.36Å; R242-D261 IonicContact NE-OD1 2.66Å; R242-D261 IonicContact NH1-OD1 3.4Å; R242-D261 PolarHBondContact NH1-OD1 3.27Å; H243-D261 PolarHBondContact O-N 2.92Å; D261-H307 VanDerWaalsContact O-CA 3.31Å; D261-H307 WeakPolarHBondContact O-CA 3.18Å; D261-H307 WeakPolarHBondContact O-CB 3.33Å; D261-F308 HydrophobicContact CB-CB 4.17Å; D261-F308 HydrophobicContact CB-CD2 4.26Å; D261-F308 PolarHBondContact O-N 3.2Å; D261-T311 HydrophobicContact CB-CG2 3.91Å; D261-T311 VanDerWaalsContact CG-CG2 3.46Å
262	V	92.3	Very high	84.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.9	-178.9	-175.4	0	0	0	0	109.9	L230 H243 L245 L259 K260 V265 A305 H307	L230-V262 HydrophobicContact CD1-CB 3.89Å; L230-V262 HydrophobicContact CD1-CG1 3.64Å; H243-V262 WeakPolarHBondContact CB-O 3.48Å; H243-V262 PolarHBondContact CD2-O 3.41Å; H243-V262 VanDerWaalsContact CD2-O 3.27Å; H243-V262 PolarHBondContact N-O 3.13Å; H243-V262 VanDerWaalsContact N-O 3.13Å; H243-V262 PolarHBondContact O-N 2.84Å; L245-V262 HydrophobicContact CB-CG2 4.09Å; L259-V262 HydrophobicContact CB-CG2 3.85Å; L259-V262 HydrophobicContact CD2-CG2 3.98Å; L259-V262 HydrophobicContact CG-CG2 3.76Å; L259-V262 WeakPolarHBondContact O-CG2 3.39Å; K260-V262 PolarHBondContact O-N 3.15Å; V262-V265 HydrophobicContact CG1-CG2 3.76Å; V262-A305 HydrophobicContact CG1-CB 4.39Å; V262-H307 HydrophobicContact CG2-CB 4.39Å
263	I	88.3	Confident	82.1	Confident	62 Å²	62	57 Å²	57	32%	0.318	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-49.4	-178.7	-56.4	166.1	0	0	0	110	S306 F308 V316	I263-S306 PolarHBondContact N-O 2.72Å; I263-F308 HydrophobicContact CD1-CD1 4.32Å; I263-F308 HydrophobicContact CD1-CD2 4.02Å; I263-F308 HydrophobicContact CD1-CE1 3.99Å; I263-F308 HydrophobicContact CD1-CE2 3.66Å; I263-F308 HydrophobicContact CD1-CG 4.35Å; I263-F308 HydrophobicContact CD1-CZ 3.65Å; I263-F308 HydrophobicContact CG1-CD2 4.05Å; I263-F308 HydrophobicContact CG1-CE2 3.67Å; I263-F308 HydrophobicContact CG1-CZ 4.12Å; I263-V316 HydrophobicContact CD1-CB 4.47Å; I263-V316 HydrophobicContact CD1-CG1 3.82Å; I263-V316 HydrophobicContact CD1-CG2 3.82Å
264	R	88.7	Confident	79.4	Confident	29 Å²	29	58.2 Å²	58.2	11%	0.109	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	156.6	178.4	-137	-172.7	-149.3	-174.8	7.1	111	W266 A305 S306 E1192 I1193	R264-W266 HydrophobicContact CB-CH2 3.79Å; R264-W266 HydrophobicContact CB-CZ2 4.16Å; R264-W266 HydrophobicContact CB-CZ3 4.04Å; R264-W266 VanDerWaalsContact CD-CZ2 3.46Å; R264-W266 HydrophobicContact CG-CH2 4.43Å; R264-W266 HydrophobicContact CG-CZ2 4.29Å; R264-A305 WeakPolarHBondContact O-CA 3.43Å; R264-S306 WeakPolarHBondContact CB-OG 3.46Å; R264-S306 PolarHBondContact N-O 3.39Å; R264-S306 PolarHBondContact N-OG 2.93Å; R264-S306 PolarHBondContact O-N 3.03Å; R264-S306 PolarHBondContact O-OG 2.81Å; R264-E1192 IonicContact CZ-OE1 2.98Å; R264-E1192 IonicContact NH1-OE1 3.48Å; R264-E1192 PolarHBondContact NH1-OE1 3.1Å; R264-E1192 VanDerWaalsContact NH2-C 3.32Å; R264-E1192 VanDerWaalsContact NH2-CA 3.33Å; R264-E1192 IonicContact NH2-OE1 3.2Å; R264-I1193 PolarHBondContact NH2-O 3.04Å; R264-I1193 VanDerWaalsContact NH2-O 3.11Å
265	V	91.8	Very high	76.5	Confident	13 Å²	13	58.6 Å²	58.6	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143	175.8	-178.7	0	0	0	0	108.4	F215 L230 L245 V262 L303 Y304 A305	F215-V265 HydrophobicContact CE1-CG1 3.89Å; F215-V265 HydrophobicContact CZ-CG1 4.17Å; L230-V265 HydrophobicContact CD1-CG2 4Å; L230-V265 HydrophobicContact CD2-CG2 4.32Å; L245-V265 HydrophobicContact CD1-CG2 4.32Å; L245-V265 HydrophobicContact CD2-CG2 4.17Å; V262-V265 HydrophobicContact CG1-CG2 3.76Å; V265-L303 HydrophobicContact CG1-CD1 3.56Å; V265-Y304 CarbonylContact C-O 3.4Å; V265-Y304 WeakPolarHBondContact CA-O 3.39Å; V265-A305 HydrophobicContact CG2-CB 4.34Å
266	W	91.3	Very high	73.4	Confident	18 Å²	18	59.1 Å²	59.1	7%	0.068	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.8	169.1	-56.6	-106.9	0	0	0	107.9	R264 Y304 L318 Y342 V344	R264-W266 HydrophobicContact CB-CH2 3.79Å; R264-W266 HydrophobicContact CB-CZ2 4.16Å; R264-W266 HydrophobicContact CB-CZ3 4.04Å; R264-W266 VanDerWaalsContact CD-CZ2 3.46Å; R264-W266 HydrophobicContact CG-CH2 4.43Å; R264-W266 HydrophobicContact CG-CZ2 4.29Å; W266-Y304 PolarHBondContact N-O 2.85Å; W266-Y304 PolarHBondContact O-N 3.17Å; W266-L318 HydrophobicContact CE3-CD1 4.46Å; W266-L318 HydrophobicContact CZ3-CD1 3.94Å; W266-Y342 WeakPolarHBondContact CH2-O 3.46Å; W266-Y342 WeakPolarHBondContact CZ2-O 3.39Å; W266-V344 HydrophobicContact CB-CB 4.08Å; W266-V344 HydrophobicContact CB-CG2 3.98Å; W266-V344 HydrophobicContact CD2-CB 4.16Å; W266-V344 HydrophobicContact CD2-CG2 3.63Å; W266-V344 HydrophobicContact CE3-CG2 3.97Å; W266-V344 HydrophobicContact CG-CB 3.74Å; W266-V344 HydrophobicContact CG-CG2 3.64Å
267	A	87.3	Confident	70.1	Confident	23 Å²	23	64.8 Å²	64.8	19%	0.19	32%	0.321	C	S	.	.			trans	-133.2	147.5	-175.1	0	0	0	0	0	111.5	F215 L303	F215-A267 HydrophobicContact CD1-CB 4.11Å; F215-A267 HydrophobicContact CD2-CB 3.66Å; F215-A267 HydrophobicContact CE1-CB 3.98Å; F215-A267 HydrophobicContact CE2-CB 3.5Å; F215-A267 HydrophobicContact CG-CB 3.97Å; F215-A267 HydrophobicContact CZ-CB 3.69Å; A267-L303 HydrophobicContact CB-CD1 4.1Å
268	P	77.5	Confident	67.3	Low	17 Å²	17	66.4 Å²	66.4	11%	0.11	34%	0.339	C	S	.	.			trans	-62.9	132.7	176.7	26.5	-37.2	0	0	0	112	V218 G270 H301 F302	V218-P268 WeakPolarHBondContact CG1-O 3.13Å; V218-P268 HydrophobicContact CG2-CB 4Å; V218-P268 HydrophobicContact CG2-CG 3.44Å; V218-P268 VanDerWaalsContact CG2-CG 3.44Å; P268-G270 PolarHBondContact O-N 2.78Å; P268-G270 VanDerWaalsContact O-N 3.14Å; P268-H301 HydrophobicContact CG-CB 3.98Å; P268-F302 WeakPolarHBondContact CD-O 3.43Å
269	R	62.5	Low	64.6	Low	90 Å²	90	72.9 Å²	72.9	34%	0.34	37%	0.368	S	S	.	.			trans	-74.7	5.8	179.1	-82.4	-161.3	176.1	88.7	-10.4	115.8	V271 L1188 E1189	R269-V271 VanDerWaalsContact C-N 3.26Å; R269-V271 PolarHBondContact O-N 2.98Å; R269-L1188 HydrophobicContact CB-CD2 4.29Å; R269-L1188 HydrophobicContact CG-CD2 4.16Å; R269-E1189 PolarHBondContact NH1-O 2.93Å; R269-E1189 PolarHBondContact NH2-O 3.44Å
270	G	53.4	Low	61.7	Low	9 Å²	9	76.7 Å²	76.7	9%	0.093	39%	0.389	C	S	.	.			trans	67.6	21.5	169.5	0	0	0	0	0	115.3	N127 P268 K272	N127-G270 PolarHBondContact ND2-O 3.22Å; P268-G270 PolarHBondContact O-N 2.78Å; P268-G270 VanDerWaalsContact O-N 3.14Å; G270-K272 PolarHBondContact O-N 3.12Å
271	V	51.5	Low	59.3	Low	59 Å²	59	82 Å²	82	36%	0.358	41%	0.412	S	S	.	.			trans	-64.2	99.8	171.3	-172.2	0	0	0	0	107.9	R269 V273 L1187	R269-V271 VanDerWaalsContact C-N 3.26Å; R269-V271 PolarHBondContact O-N 2.98Å; V271-V273 VanDerWaalsContact C-N 3.33Å; V271-V273 PolarHBondContact O-N 2.92Å; V271-L1187 HydrophobicContact CB-CD2 3.85Å; V271-L1187 HydrophobicContact CG1-CD2 3.99Å; V271-L1187 HydrophobicContact CG2-CD2 3.82Å
272	K	45	Very low	56.6	Low	126 Å²	126	84.2 Å²	84.2	55%	0.548	43%	0.43	S	S	.	.			trans	-62.5	97.3	169.1	-82.7	-174.5	167.7	178.9	0	108.5	R177 G270 D274	R177-K272 WeakPolarHBondContact O-CE 3.4Å; R177-K272 PolarHBondContact O-NZ 3.42Å; G270-K272 PolarHBondContact O-N 3.12Å; K272-D274 PolarHBondContact O-N 2.97Å
273	V	43.6	Very low	53.9	Low	85 Å²	85	88.7 Å²	88.7	52%	0.515	46%	0.462	S	S	.	.			trans	-73	109.4	163.3	-178.2	0	0	0	0	105.9	V271 I275	V271-V273 VanDerWaalsContact C-N 3.33Å; V271-V273 PolarHBondContact O-N 2.92Å; V273-I275 HydrophobicContact CB-CG1 4.39Å; V273-I275 HydrophobicContact CG1-CG1 3.92Å; V273-I275 PolarHBondContact O-N 3.44Å
274	D	37	Very low	51.6	Low	154 Å²	154	92.9 Å²	92.9	82%	0.824	48%	0.483	S	S	*	.			trans	-66.5	79.7	164.6	-79.6	-46	0	0	0	108.3	K272 P276	K272-D274 PolarHBondContact O-N 2.97Å; D274-P276 VanDerWaalsContact O-CD 3.25Å; D274-P276 WeakPolarHBondContact O-CD 3.1Å
275	I	36.5	Very low	48.9	Very low	96 Å²	96	97.1 Å²	97.1	49%	0.492	52%	0.517	S	S	.	.			trans	-60.3	119.8	167.5	-60.1	174.9	0	0	0	105.6	V273 R277	V273-I275 HydrophobicContact CB-CG1 4.39Å; V273-I275 HydrophobicContact CG1-CG1 3.92Å; V273-I275 PolarHBondContact O-N 3.44Å; I275-R277 PolarHBondContact O-N 2.78Å
276	P	29.9	Very low	46.3	Very low	75 Å²	75	104.8 Å²	104.8	49%	0.487	55%	0.55	S	S	.	.			trans	-59.5	108.4	177	-23.8	34.9	0	0	0	108.8	D274	D274-P276 VanDerWaalsContact O-CD 3.25Å; D274-P276 WeakPolarHBondContact O-CD 3.1Å
277	R	28.7	Very low	43.7	Very low	204 Å²	204	110.8 Å²	110.8	77%	0.77	58%	0.583	S	S	*	*			trans	-53.4	133.3	165.4	-81.6	-177.3	-88.7	-153.7	-9.2	106.4	I275 H279	I275-R277 PolarHBondContact O-N 2.78Å; R277-H279 VanDerWaalsContact C-N 3.34Å; R277-H279 PolarHBondContact O-CD2 2.91Å; R277-H279 PolarHBondContact O-N 3.22Å
278	P	35.1	Very low	41.1	Very low	122 Å²	122	115.1 Å²	115.1	79%	0.792	61%	0.612	S	S	*	*			trans	-61.7	96.8	-173.9	22.4	-32.6	0	0	0	109.9	D280	P278-D280 PolarHBondContact O-N 2.85Å
279	H	38	Very low	39.1	Very low	171 Å²	171	123.1 Å²	123.1	79%	0.792	65%	0.648	S	S	*	*			trans	-83.5	44.3	-169.4	-100.3	-74.4	0	0	0	111.7	R277	R277-H279 VanDerWaalsContact C-N 3.34Å; R277-H279 PolarHBondContact O-CD2 2.91Å; R277-H279 PolarHBondContact O-N 3.22Å
280	D	34.8	Very low	37.7	Very low	108 Å²	108	124.9 Å²	124.9	58%	0.578	67%	0.669	S	S	*	*			trans	-149	91.8	162.2	-118.9	-25.9	0	0	0	111.5	P278 S282	P278-D280 PolarHBondContact O-N 2.85Å; D280-S282 PolarHBondContact O-N 2.8Å; D280-S282 WeakPolarHBondContact OD1-CB 3.43Å; D280-S282 PolarHBondContact OD1-OG 3.08Å
281	K	41.2	Very low	36.8	Very low	217 Å²	217	134.3 Å²	134.3	94%	0.943	71%	0.711	S	S	*	*			trans	-79.4	23.4	158.1	-74.3	-166.2	170.8	-167.9	0	111.2
282	S	35.3	Very low	35.9	Very low	90 Å²	90	139.7 Å²	139.7	63%	0.629	73%	0.732	S	S	*	*	S	Bend	trans	-123.7	32.6	-162.5	-14.3	0	0	0	0	113.7	D280	D280-S282 PolarHBondContact O-N 2.8Å; D280-S282 WeakPolarHBondContact OD1-CB 3.43Å; D280-S282 PolarHBondContact OD1-OG 3.08Å
283	S	35.3	Very low	35.2	Very low	94 Å²	94	140.2 Å²	140.2	66%	0.657	74%	0.741	S	S	*	*	S	Bend	trans	-154.2	-34	169.8	56.5	0	0	0	0	115.3	S285	S283-S285 PolarHBondContact O-N 2.78Å
284	I	39.9	Very low	34.7	Very low	151 Å²	151	146.4 Å²	146.4	77%	0.774	76%	0.756	S	S	*	*			trans	-89.7	93.5	179.7	-56.2	179.4	0	0	0	110.5	F286	I284-F286 HydrophobicContact CG2-CB 4.17Å; I284-F286 PolarHBondContact O-N 2.81Å
285	S	30.9	Very low	34.5	Very low	118 Å²	118	145.8 Å²	145.8	83%	0.825	75%	0.749	S	S	*	*			trans	-78.1	88	159.3	57.6	0	0	0	0	109.3	S283	S283-S285 PolarHBondContact O-N 2.78Å
286	F	37.6	Very low	34.5	Very low	174 Å²	174	147.6 Å²	147.6	76%	0.763	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-94.6	131.8	162.7	-168.8	-96	0	0	0	108.2	I284	I284-F286 HydrophobicContact CG2-CB 4.17Å; I284-F286 PolarHBondContact O-N 2.81Å
287	D	36.6	Very low	34.9	Very low	144 Å²	144	148.5 Å²	148.5	77%	0.77	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-67.8	146.3	-174.4	-72.4	-55	0	0	0	112.1	E289	D287-E289 PolarHBondContact O-N 2.92Å
288	S	32.2	Very low	35.9	Very low	114 Å²	114	145.2 Å²	145.2	80%	0.797	76%	0.76	S	S	*	*	S	Bend	trans	-70.1	119	-177.5	174.7	0	0	0	0	111.5
289	E	36.4	Very low	37	Very low	184 Å²	184	143.2 Å²	143.2	86%	0.86	74%	0.742	S	S	*	*			trans	-174.8	39.1	142	-105.2	169.1	-150.3	0	0	116.2	D287	D287-E289 PolarHBondContact O-N 2.92Å
290	T	34	Very low	38	Very low	127 Å²	127	135.6 Å²	135.6	78%	0.779	71%	0.71	S	S	*	*			trans	-144.5	60.5	166.1	41.6	0	0	0	0	113.3	Q292	T290-Q292 VanDerWaalsContact C-N 3.33Å; T290-Q292 PolarHBondContact O-N 2.88Å
291	E	34.1	Very low	40.1	Very low	207 Å²	207	132.8 Å²	132.8	97%	0.967	69%	0.693	S	S	*	*			trans	-82.5	77.2	172.6	-161.9	167.8	-131.9	0	0	110.7
292	Q	31.4	Very low	42.3	Very low	172 Å²	172	122.9 Å²	122.9	80%	0.804	65%	0.65	S	S	*	*			trans	-140.4	116.2	175.1	-114.7	179.1	-27.6	0	0	111.6	T290 Y294	T290-Q292 VanDerWaalsContact C-N 3.33Å; T290-Q292 PolarHBondContact O-N 2.88Å; Q292-Y294 PolarHBondContact O-N 2.94Å
293	D	30.8	Very low	45	Very low	138 Å²	138	118.6 Å²	118.6	74%	0.738	62%	0.62	S	S	*	*			trans	41	61.8	159.8	-54.8	-23.2	0	0	0	118.1	E295	D293-E295 PolarHBondContact O-N 2.83Å; D293-E295 VanDerWaalsContact O-N 3.11Å
294	Y	32.8	Very low	47.8	Very low	214 Å²	214	114.1 Å²	114.1	84%	0.839	59%	0.589	S	S	*	*			trans	-76.1	68.5	137.5	-132.6	-86.8	0	0	0	108	Q292 T296	Q292-Y294 PolarHBondContact O-N 2.94Å; Y294-T296 PolarHBondContact O-N 2.95Å
295	E	34	Very low	50.4	Low	142 Å²	142	107 Å²	107	66%	0.664	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-49.5	140.5	172.8	-97.3	-164.5	146.1	0	0	108.5	D293 T297	D293-E295 PolarHBondContact O-N 2.83Å; D293-E295 VanDerWaalsContact O-N 3.11Å; E295-T297 PolarHBondContact O-N 3.12Å
296	T	35.6	Very low	53.3	Low	134 Å²	134	101.7 Å²	101.7	82%	0.822	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-48.5	116.3	-176.7	44.3	0	0	0	0	110.1	Y294 K298	Y294-T296 PolarHBondContact O-N 2.95Å; T296-K298 PolarHBondContact O-N 3.22Å
297	T	39.6	Very low	55.8	Low	94 Å²	94	94.4 Å²	94.4	58%	0.577	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-48.5	116.2	-177.6	-43.7	0	0	0	0	108.2	E295 L299	E295-T297 PolarHBondContact O-N 3.12Å; T297-L299 PolarHBondContact O-N 3.38Å
298	K	48.7	Very low	58.3	Low	135 Å²	135	89.1 Å²	89.1	59%	0.587	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-57.4	145.1	172.6	-68.3	-170.5	175.5	-168.8	0	107.4	T296 D350	T296-K298 PolarHBondContact O-N 3.22Å; K298-D350 VanDerWaalsContact O-OD1 3.09Å
299	L	58.2	Low	60.8	Low	80 Å²	80	86.5 Å²	86.5	42%	0.419	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-97.1	136.4	160.5	-67.5	86.7	0	0	0	105.2	T297 H301	T297-L299 PolarHBondContact O-N 3.38Å; L299-H301 PolarHBondContact O-N 2.78Å
300	G	59.7	Low	62.8	Low	11 Å²	11	80.4 Å²	80.4	11%	0.113	41%	0.412	C	S	.	.			trans	-64.7	60.4	-174.3	0	0	0	0	0	114.4	F302 V347 D349 D350	G300-F302 VanDerWaalsContact C-N 3.28Å; G300-F302 PolarHBondContact O-N 3.11Å; G300-F302 VanDerWaalsContact O-N 3.09Å; G300-V347 WeakPolarHBondContact O-CG1 3.33Å; G300-D349 WeakPolarHBondContact CA-O 3.47Å; G300-D349 PolarHBondContact N-O 3.22Å; G300-D350 PolarHBondContact N-OD1 2.91Å
301	H	77.9	Confident	64.8	Low	48 Å²	48	76.7 Å²	76.7	22%	0.222	39%	0.39	C	S	.	.			trans	-84.3	70.7	177	-62.5	161.7	0	0	0	108.9	V218 Y219 P268 L299	V218-H301 HydrophobicContact CG2-CB 4.32Å; Y219-H301 HydrophobicContact CD1-CB 4.17Å; Y219-H301 HydrophobicContact CE1-CB 3.61Å; Y219-H301 WeakPolarHBondContact CE1-O 3.33Å; Y219-H301 PolarHBondContact OH-O 2.97Å; P268-H301 HydrophobicContact CG-CB 3.98Å; L299-H301 PolarHBondContact O-N 2.78Å
302	F	88.2	Confident	66.9	Low	9 Å²	9	75.7 Å²	75.7	4%	0.039	38%	0.382	C	S	.	.			trans	-81.9	121.3	177.4	-58.1	-58.6	0	0	0	111.4	P268 G300 Y304 V320 T322 V347 D350 A352 G374	P268-F302 WeakPolarHBondContact CD-O 3.43Å; G300-F302 VanDerWaalsContact C-N 3.28Å; G300-F302 PolarHBondContact O-N 3.11Å; G300-F302 VanDerWaalsContact O-N 3.09Å; F302-Y304 HydrophobicContact CB-CD2 3.77Å; F302-Y304 HydrophobicContact CB-CE2 3.32Å; F302-Y304 HydrophobicContact CD2-CE2 4.19Å; F302-Y304 AromaticContact CG-CE2 3.95Å; F302-Y304 HydrophobicContact CG-CE2 3.95Å; F302-V320 HydrophobicContact CB-CG2 4Å; F302-V320 HydrophobicContact CD1-CG2 4.07Å; F302-V320 HydrophobicContact CG-CG2 4.36Å; F302-T322 HydrophobicContact CD1-CG2 3.66Å; F302-T322 HydrophobicContact CE1-CG2 3.69Å; F302-V347 HydrophobicContact CD2-CG1 3.66Å; F302-V347 HydrophobicContact CD2-CG2 4.5Å; F302-V347 HydrophobicContact CE2-CG1 4.02Å; F302-D350 WeakPolarHBondContact CZ-O 3.34Å; F302-A352 HydrophobicContact CD2-CB 4.19Å; F302-G374 VanDerWaalsContact CE1-CA 3.5Å
303	L	92	Very high	69.1	Low	0 Å²	0	72.9 Å²	72.9	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	99.4	167.6	175.9	56.9	0	0	0	108.1	F215 Y219 Y228 L245 V265 A267 V320 S321 F328	F215-L303 HydrophobicContact CE2-CD1 4.21Å; F215-L303 HydrophobicContact CZ-CD1 3.63Å; Y219-L303 WeakPolarHBondContact OH-CB 3.41Å; Y219-L303 PolarHBondContact OH-N 3.32Å; Y228-L303 HydrophobicContact CD1-CD2 4.39Å; Y228-L303 HydrophobicContact CE1-CD2 3.88Å; L245-L303 HydrophobicContact CD2-CD2 4.46Å; V265-L303 HydrophobicContact CG1-CD1 3.56Å; A267-L303 HydrophobicContact CB-CD1 4.1Å; L303-V320 CarbonylContact O-C 3.44Å; L303-V320 WeakPolarHBondContact O-CA 3.35Å; L303-S321 PolarHBondContact N-O 3.4Å; L303-S321 PolarHBondContact O-N 3.27Å; L303-F328 HydrophobicContact CD2-CE1 4.37Å; L303-F328 HydrophobicContact CD2-CZ 3.79Å; L303-F328 HydrophobicContact CG-CE1 4.18Å; L303-F328 HydrophobicContact CG-CZ 4.1Å
304	Y	93.7	Very high	71.3	Confident	1 Å²	1	72.9 Å²	72.9	0%	0.004	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	140.2	174.8	-73.3	-77.6	0	0	0	110.8	V265 W266 F302 L318 S319 V320 V344 A352 G374 F377	V265-Y304 CarbonylContact C-O 3.4Å; V265-Y304 WeakPolarHBondContact CA-O 3.39Å; W266-Y304 PolarHBondContact N-O 2.85Å; W266-Y304 PolarHBondContact O-N 3.17Å; F302-Y304 HydrophobicContact CB-CD2 3.77Å; F302-Y304 HydrophobicContact CB-CE2 3.32Å; F302-Y304 HydrophobicContact CD2-CE2 4.19Å; F302-Y304 AromaticContact CG-CE2 3.95Å; F302-Y304 HydrophobicContact CG-CE2 3.95Å; Y304-L318 HydrophobicContact CD1-CD1 4.01Å; Y304-L318 HydrophobicContact CD1-CD2 4.18Å; Y304-L318 HydrophobicContact CD1-CG 4.05Å; Y304-L318 HydrophobicContact CE1-CD2 4.49Å; Y304-L318 HydrophobicContact CG-CD1 4.45Å; Y304-S319 WeakPolarHBondContact CA-O 2.97Å; Y304-V320 HydrophobicContact CD1-CB 3.69Å; Y304-V320 HydrophobicContact CD1-CG2 3.75Å; Y304-V320 HydrophobicContact CD2-CG2 4.49Å; Y304-V320 HydrophobicContact CE1-CB 3.53Å; Y304-V320 HydrophobicContact CE1-CG1 4.43Å; Y304-V320 HydrophobicContact CE1-CG2 3.44Å; Y304-V320 VanDerWaalsContact CE1-CG2 3.44Å; Y304-V320 HydrophobicContact CE2-CG2 4.24Å; Y304-V320 HydrophobicContact CG-CG2 4.26Å; Y304-V344 HydrophobicContact CD2-CG1 4.14Å; Y304-V344 HydrophobicContact CD2-CG2 3.83Å; Y304-V344 HydrophobicContact CE2-CG1 4.29Å; Y304-V344 HydrophobicContact CG-CG2 3.9Å; Y304-A352 HydrophobicContact CE2-CB 3.58Å; Y304-A352 VanDerWaalsContact OH-CB 3.31Å; Y304-A352 WeakPolarHBondContact OH-CB 3.12Å; Y304-G374 WeakPolarHBondContact CE1-O 3.45Å; Y304-G374 VanDerWaalsContact OH-CA 3.3Å; Y304-G374 WeakPolarHBondContact OH-CA 3.32Å; Y304-G374 PolarHBondContact OH-O 2.98Å; Y304-F377 HydrophobicContact CE1-CE2 4.45Å; Y304-F377 HydrophobicContact CE1-CZ 4.05Å
305	A	93.4	Very high	73.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	130.6	169.8	0	0	0	0	0	110.3	L245 L259 V262 R264 V265 S319 F328	L245-A305 HydrophobicContact CD2-CB 4.4Å; L259-A305 HydrophobicContact CD2-CB 3.59Å; V262-A305 HydrophobicContact CG1-CB 4.39Å; R264-A305 WeakPolarHBondContact O-CA 3.43Å; V265-A305 HydrophobicContact CG2-CB 4.34Å; A305-S319 PolarHBondContact N-O 2.81Å; A305-S319 PolarHBondContact O-N 2.82Å; A305-F328 HydrophobicContact CB-CE1 4.29Å
306	S	92.1	Very high	76.1	Confident	8 Å²	8	59 Å²	59	6%	0.056	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.4	166.1	58.6	0	0	0	0	108.8	I263 R264 Q317	I263-S306 PolarHBondContact N-O 2.72Å; R264-S306 WeakPolarHBondContact CB-OG 3.46Å; R264-S306 PolarHBondContact N-O 3.39Å; R264-S306 PolarHBondContact N-OG 2.93Å; R264-S306 PolarHBondContact O-N 3.03Å; R264-S306 PolarHBondContact O-OG 2.81Å; S306-Q317 WeakPolarHBondContact CA-O 3.25Å
307	H	90.9	Very high	78.6	Confident	20 Å²	20	54.2 Å²	54.2	9%	0.093	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	162.4	-177.1	69.8	99.4	0	0	0	110.7	L259 D261 V262 A309 Q317 S319	L259-H307 HydrophobicContact CD2-CB 4.18Å; L259-H307 HydrophobicContact CG-CB 4.47Å; D261-H307 VanDerWaalsContact O-CA 3.31Å; D261-H307 WeakPolarHBondContact O-CA 3.18Å; D261-H307 WeakPolarHBondContact O-CB 3.33Å; V262-H307 HydrophobicContact CG2-CB 4.39Å; H307-A309 PolarHBondContact O-N 2.91Å; H307-Q317 PolarHBondContact CD2-O 2.88Å; H307-Q317 PolarHBondContact N-O 2.9Å; H307-Q317 PolarHBondContact O-N 3.25Å; H307-S319 PolarHBondContact NE2-OG 2.96Å
308	F	87.8	Confident	81.1	Confident	34 Å²	34	49.8 Å²	49.8	15%	0.149	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.2	169.6	-65.6	-73.3	0	0	0	110.1	D261 I263 T311 Q314 T315 V316	D261-F308 HydrophobicContact CB-CB 4.17Å; D261-F308 HydrophobicContact CB-CD2 4.26Å; D261-F308 PolarHBondContact O-N 3.2Å; I263-F308 HydrophobicContact CD1-CD1 4.32Å; I263-F308 HydrophobicContact CD1-CD2 4.02Å; I263-F308 HydrophobicContact CD1-CE1 3.99Å; I263-F308 HydrophobicContact CD1-CE2 3.66Å; I263-F308 HydrophobicContact CD1-CG 4.35Å; I263-F308 HydrophobicContact CD1-CZ 3.65Å; I263-F308 HydrophobicContact CG1-CD2 4.05Å; I263-F308 HydrophobicContact CG1-CE2 3.67Å; I263-F308 HydrophobicContact CG1-CZ 4.12Å; F308-T311 HydrophobicContact CB-CG2 3.71Å; F308-T311 HydrophobicContact CG-CG2 4.45Å; F308-Q314 HydrophobicContact CD1-CB 4.46Å; F308-Q314 HydrophobicContact CE1-CB 4.11Å; F308-T315 CarbonylContact C-O 3.56Å; F308-T315 WeakPolarHBondContact CA-O 3.49Å; F308-V316 HydrophobicContact CD1-CG2 4.15Å; F308-V316 HydrophobicContact CE1-CG2 3.91Å
309	A	84.8	Confident	83.2	Confident	59 Å²	59	43.5 Å²	43.5	49%	0.488	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-37.3	172.3	0	0	0	0	0	111.5	H307 T315 Q317	H307-A309 PolarHBondContact O-N 2.91Å; A309-T315 PolarHBondContact N-O 3.32Å; A309-Q317 HydrophobicContact CB-CB 3.88Å
310	D	80	Confident	84.8	Confident	55 Å²	55	39.8 Å²	39.8	29%	0.294	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	110.7	165.1	-178.8	-5.3	0	0	0	109.5	K312 N313 Q314 T315	D310-K312 PolarHBondContact O-N 2.87Å; D310-K312 WeakPolarHBondContact OD1-CB 3.5Å; D310-K312 PolarHBondContact OD1-N 3.28Å; D310-N313 HydrophobicContact CB-CB 4.35Å; D310-N313 PolarHBondContact O-N 3.45Å; D310-N313 PolarHBondContact OD2-ND2 2.77Å; D310-Q314 WeakPolarHBondContact O-CA 3.42Å; D310-Q314 PolarHBondContact O-N 2.83Å; D310-T315 WeakPolarHBondContact CB-OG1 3.36Å; D310-T315 PolarHBondContact N-OG1 3.23Å; D310-T315 PolarHBondContact O-N 2.7Å
311	T	75.7	Confident	86.4	Confident	50 Å²	50	39.2 Å²	39.2	31%	0.307	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.4	-178.6	56.8	0	0	0	0	114.3	D261 F308	D261-T311 HydrophobicContact CB-CG2 3.91Å; D261-T311 VanDerWaalsContact CG-CG2 3.46Å; F308-T311 HydrophobicContact CB-CG2 3.71Å; F308-T311 HydrophobicContact CG-CG2 4.45Å
312	K	78.5	Confident	86.8	Confident	186 Å²	186	39.1 Å²	39.1	81%	0.809	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-39.2	172.1	-60.5	174	-178.4	171.3	0	111.9	D310	D310-K312 PolarHBondContact O-N 2.87Å; D310-K312 WeakPolarHBondContact OD1-CB 3.5Å; D310-K312 PolarHBondContact OD1-N 3.28Å
313	N	76.7	Confident	86.8	Confident	113 Å²	113	39.8 Å²	39.8	60%	0.604	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	6	179.4	-70.2	-47.9	0	0	0	112.8	D310 T315	D310-N313 HydrophobicContact CB-CB 4.35Å; D310-N313 PolarHBondContact O-N 3.45Å; D310-N313 PolarHBondContact OD2-ND2 2.77Å; N313-T315 HydrophobicContact CB-CG2 3.81Å; N313-T315 PolarHBondContact O-N 2.8Å; N313-T315 VanDerWaalsContact O-N 3.07Å
314	Q	77.7	Confident	86.6	Confident	137 Å²	137	39.8 Å²	39.8	64%	0.64	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	30.5	-178.9	-59.6	-171.1	-89.1	0	0	114.6	F308 D310 V316	F308-Q314 HydrophobicContact CD1-CB 4.46Å; F308-Q314 HydrophobicContact CE1-CB 4.11Å; D310-Q314 WeakPolarHBondContact O-CA 3.42Å; D310-Q314 PolarHBondContact O-N 2.83Å; Q314-V316 PolarHBondContact O-N 3.4Å
315	T	82.2	Confident	86.4	Confident	35 Å²	35	40 Å²	40	22%	0.215	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.1	-174.1	59.3	0	0	0	0	110.8	F308 A309 D310 N313 A338	F308-T315 CarbonylContact C-O 3.56Å; F308-T315 WeakPolarHBondContact CA-O 3.49Å; A309-T315 PolarHBondContact N-O 3.32Å; D310-T315 WeakPolarHBondContact CB-OG1 3.36Å; D310-T315 PolarHBondContact N-OG1 3.23Å; D310-T315 PolarHBondContact O-N 2.7Å; N313-T315 HydrophobicContact CB-CG2 3.81Å; N313-T315 PolarHBondContact O-N 2.8Å; N313-T315 VanDerWaalsContact O-N 3.07Å; T315-A338 HydrophobicContact CG2-CB 3.6Å
316	V	85.1	Confident	86.2	Confident	29 Å²	29	46.3 Å²	46.3	18%	0.176	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.2	-177	-173.7	0	0	0	0	110.7	I263 F308 Q314 A338 Y342	I263-V316 HydrophobicContact CD1-CB 4.47Å; I263-V316 HydrophobicContact CD1-CG1 3.82Å; I263-V316 HydrophobicContact CD1-CG2 3.82Å; F308-V316 HydrophobicContact CD1-CG2 4.15Å; F308-V316 HydrophobicContact CE1-CG2 3.91Å; Q314-V316 PolarHBondContact O-N 3.4Å; V316-A338 PolarHBondContact N-O 2.72Å; V316-Y342 HydrophobicContact CB-CE2 4.22Å; V316-Y342 HydrophobicContact CG1-CD2 4.17Å; V316-Y342 HydrophobicContact CG1-CE2 3.8Å; V316-Y342 PolarHBondContact O-OH 2.87Å
317	Q	87.5	Confident	86.1	Confident	35 Å²	35	49.4 Å²	49.4	16%	0.164	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.2	174.7	177.9	170.8	-63.6	0	0	110.3	S306 H307 A309 S319 K330	S306-Q317 WeakPolarHBondContact CA-O 3.25Å; H307-Q317 PolarHBondContact CD2-O 2.88Å; H307-Q317 PolarHBondContact N-O 2.9Å; H307-Q317 PolarHBondContact O-N 3.25Å; A309-Q317 HydrophobicContact CB-CB 3.88Å; Q317-S319 PolarHBondContact NE2-OG 2.87Å; Q317-K330 HydrophobicContact CG-CG 4.18Å; Q317-K330 VanDerWaalsContact OE1-CE 3.28Å
318	L	91.8	Very high	86.2	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.8	161.4	-176	64.6	0	0	0	108.9	W266 Y304 A331 L333 Y342 V354	W266-L318 HydrophobicContact CE3-CD1 4.46Å; W266-L318 HydrophobicContact CZ3-CD1 3.94Å; Y304-L318 HydrophobicContact CD1-CD1 4.01Å; Y304-L318 HydrophobicContact CD1-CD2 4.18Å; Y304-L318 HydrophobicContact CD1-CG 4.05Å; Y304-L318 HydrophobicContact CE1-CD2 4.49Å; Y304-L318 HydrophobicContact CG-CD1 4.45Å; L318-A331 HydrophobicContact CB-CB 3.95Å; L318-A331 HydrophobicContact CD2-CB 4.06Å; L318-A331 HydrophobicContact CG-CB 3.97Å; L318-A331 VanDerWaalsContact O-CB 3.28Å; L318-A331 WeakPolarHBondContact O-CB 3.43Å; L318-A331 PolarHBondContact O-N 3.4Å; L318-L333 HydrophobicContact CD2-CD1 4.42Å; L318-Y342 HydrophobicContact CB-CD1 3.85Å; L318-Y342 HydrophobicContact CB-CE1 3.87Å; L318-Y342 HydrophobicContact CB-CG 4.2Å; L318-Y342 HydrophobicContact CD2-CD1 3.98Å; L318-Y342 HydrophobicContact CD2-CG 4.5Å; L318-Y342 HydrophobicContact CG-CD1 4.49Å; L318-V354 HydrophobicContact CD2-CG1 4.01Å; L318-V354 HydrophobicContact CD2-CG2 4.46Å
319	S	92.9	Very high	86.3	Confident	3 Å²	3	51 Å²	51	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.2	176	-61.3	0	0	0	0	110.2	Y304 A305 H307 Q317 N329	Y304-S319 WeakPolarHBondContact CA-O 2.97Å; A305-S319 PolarHBondContact N-O 2.81Å; A305-S319 PolarHBondContact O-N 2.82Å; H307-S319 PolarHBondContact NE2-OG 2.96Å; Q317-S319 PolarHBondContact NE2-OG 2.87Å; S319-N329 CarbonylContact C-O 3.6Å; S319-N329 WeakPolarHBondContact CA-O 3.39Å; S319-N329 WeakPolarHBondContact CB-O 3.48Å
320	V	93.2	Very high	86.5	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.1	-172.8	67.6	0	0	0	0	112.5	F302 L303 Y304 F328 N329 A375	F302-V320 HydrophobicContact CB-CG2 4Å; F302-V320 HydrophobicContact CD1-CG2 4.07Å; F302-V320 HydrophobicContact CG-CG2 4.36Å; L303-V320 CarbonylContact O-C 3.44Å; L303-V320 WeakPolarHBondContact O-CA 3.35Å; Y304-V320 HydrophobicContact CD1-CB 3.69Å; Y304-V320 HydrophobicContact CD1-CG2 3.75Å; Y304-V320 HydrophobicContact CD2-CG2 4.49Å; Y304-V320 HydrophobicContact CE1-CB 3.53Å; Y304-V320 HydrophobicContact CE1-CG1 4.43Å; Y304-V320 HydrophobicContact CE1-CG2 3.44Å; Y304-V320 VanDerWaalsContact CE1-CG2 3.44Å; Y304-V320 HydrophobicContact CE2-CG2 4.24Å; Y304-V320 HydrophobicContact CG-CG2 4.26Å; V320-F328 WeakPolarHBondContact O-CA 3.36Å; V320-N329 HydrophobicContact CG1-CB 4.33Å; V320-N329 PolarHBondContact N-O 3.13Å; V320-N329 PolarHBondContact O-N 3.2Å; V320-A375 HydrophobicContact CG1-CB 3.86Å
321	S	92.2	Very high	87	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.1	167.7	125.4	0	0	0	0	110.4	L303 D323 G325 T327	L303-S321 PolarHBondContact N-O 3.4Å; L303-S321 PolarHBondContact O-N 3.27Å; S321-D323 PolarHBondContact OG-N 2.72Å; S321-G325 WeakPolarHBondContact OG-CA 3.36Å; S321-G325 PolarHBondContact OG-N 2.87Å; S321-T327 WeakPolarHBondContact CA-O 3.29Å; S321-T327 WeakPolarHBondContact CB-O 3.4Å
322	T	87.4	Confident	87.6	Confident	46 Å²	46	49.9 Å²	49.9	28%	0.282	25%	0.249	S	C	.	.	S	Bend	trans	-115.3	7.4	168.1	54.7	0	0	0	0	113	F302	F302-T322 HydrophobicContact CD1-CG2 3.66Å; F302-T322 HydrophobicContact CE1-CG2 3.69Å
323	D	86.9	Confident	87.9	Confident	23 Å²	23	41.8 Å²	41.8	12%	0.123	22%	0.215	C	C	.	.	S	Bend	trans	-132.6	24.9	-162.4	64.8	6.9	0	0	0	114	M221 S321 G325 Q326 T327	M221-D323 HydrophobicContact CE-CB 3.99Å; M221-D323 WeakPolarHBondContact CE-O 3.17Å; M221-D323 VanDerWaalsContact SD-CA 3.59Å; M221-D323 HydrophobicContact SD-CB 4.23Å; S321-D323 PolarHBondContact OG-N 2.72Å; D323-G325 VanDerWaalsContact C-N 3.35Å; D323-G325 PolarHBondContact OD1-N 2.83Å; D323-Q326 PolarHBondContact O-NE2 2.97Å; D323-Q326 PolarHBondContact OD1-N 2.92Å; D323-T327 PolarHBondContact OD1-N 2.87Å; D323-T327 WeakPolarHBondContact OD2-CB 3.49Å; D323-T327 PolarHBondContact OD2-N 2.83Å; D323-T327 PolarHBondContact OD2-OG1 3.47Å
324	G	87.4	Confident	87.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	73.4	24.3	-174.4	0	0	0	0	0	113.6	Y228 K247	Y228-G324 WeakPolarHBondContact OH-CA 3.46Å; Y228-G324 PolarHBondContact OH-O 2.86Å; K247-G324 PolarHBondContact NZ-O 2.74Å
325	G	90.9	Very high	87.1	Confident	4 Å²	4	32.6 Å²	32.6	4%	0.041	17%	0.172	C	C	.	.	S	Bend	trans	80.6	21.2	176.6	0	0	0	0	0	114.3	S321 D323	S321-G325 WeakPolarHBondContact OG-CA 3.36Å; S321-G325 PolarHBondContact OG-N 2.87Å; D323-G325 VanDerWaalsContact C-N 3.35Å; D323-G325 PolarHBondContact OD1-N 2.83Å
326	Q	88.3	Confident	86	Confident	133 Å²	133	33.4 Å²	33.4	62%	0.621	18%	0.175	S	C	*	.	S	Bend	trans	-76.2	-37.1	172.3	-67.7	175.3	104.2	0	0	111	D323	D323-Q326 PolarHBondContact O-NE2 2.97Å; D323-Q326 PolarHBondContact OD1-N 2.92Å
327	T	91.1	Very high	84.9	Confident	74 Å²	74	35.4 Å²	35.4	45%	0.454	18%	0.182	S	C	.	.			trans	-129	129.4	173.2	69.5	0	0	0	0	111.3	S321 D323	S321-T327 WeakPolarHBondContact CA-O 3.29Å; S321-T327 WeakPolarHBondContact CB-O 3.4Å; D323-T327 PolarHBondContact OD1-N 2.87Å; D323-T327 WeakPolarHBondContact OD2-CB 3.49Å; D323-T327 PolarHBondContact OD2-N 2.83Å; D323-T327 PolarHBondContact OD2-OG1 3.47Å
328	F	92	Very high	83.4	Confident	47 Å²	47	36 Å²	36	21%	0.206	19%	0.193	C	C	.	.			trans	-108	118.1	173.8	-80.5	-90	0	0	0	110.1	L245 L258 L259 L303 A305 V320	L245-F328 HydrophobicContact CD2-CZ 3.93Å; L258-F328 HydrophobicContact CB-CE2 4.12Å; L259-F328 HydrophobicContact CD2-CD1 4.48Å; L303-F328 HydrophobicContact CD2-CE1 4.37Å; L303-F328 HydrophobicContact CD2-CZ 3.79Å; L303-F328 HydrophobicContact CG-CE1 4.18Å; L303-F328 HydrophobicContact CG-CZ 4.1Å; A305-F328 HydrophobicContact CB-CE1 4.29Å; V320-F328 WeakPolarHBondContact O-CA 3.36Å
329	N	90.3	Very high	81.9	Confident	41 Å²	41	44 Å²	44	22%	0.219	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	147.3	178	-62.5	-80.7	0	0	0	109.6	S319 V320 P937	S319-N329 CarbonylContact C-O 3.6Å; S319-N329 WeakPolarHBondContact CA-O 3.39Å; S319-N329 WeakPolarHBondContact CB-O 3.48Å; V320-N329 HydrophobicContact CG1-CB 4.33Å; V320-N329 PolarHBondContact N-O 3.13Å; V320-N329 PolarHBondContact O-N 3.2Å; N329-P937 WeakPolarHBondContact OD1-CG 3.3Å
330	K	89.8	Confident	81	Confident	104 Å²	104	44.8 Å²	44.8	45%	0.452	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	139.8	177.6	178.3	169.4	-174	135.9	0	110.9	Q317 H332	Q317-K330 HydrophobicContact CG-CG 4.18Å; Q317-K330 VanDerWaalsContact OE1-CE 3.28Å; K330-H332 PolarHBondContact O-CD2 3.35Å
331	A	90.3	Very high	80.4	Confident	8 Å²	8	48.6 Å²	48.6	7%	0.066	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-75.8	122	165.9	0	0	0	0	0	110.5	L318 L333 A375 F377	L318-A331 HydrophobicContact CB-CB 3.95Å; L318-A331 HydrophobicContact CD2-CB 4.06Å; L318-A331 HydrophobicContact CG-CB 3.97Å; L318-A331 VanDerWaalsContact O-CB 3.28Å; L318-A331 WeakPolarHBondContact O-CB 3.43Å; L318-A331 PolarHBondContact O-N 3.4Å; A331-L333 HydrophobicContact CB-CD1 4.15Å; A331-A375 CarbonylContact C-O 3.57Å; A331-A375 WeakPolarHBondContact CA-O 3.38Å; A331-F377 HydrophobicContact CB-CD2 4.25Å; A331-F377 HydrophobicContact CB-CE2 3.87Å
332	H	87.8	Confident	80.2	Confident	28 Å²	28	49.3 Å²	49.3	13%	0.13	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-96	99.3	178.2	-68.1	-94.7	0	0	0	109.8	K330 A375 F377 Y911 L931	K330-H332 PolarHBondContact O-CD2 3.35Å; H332-A375 PolarHBondContact N-O 2.89Å; H332-F377 PolarHBondContact O-N 2.86Å; H332-Y911 HydrophobicContact CB-CD2 4.48Å; H332-Y911 HydrophobicContact CB-CE2 4.18Å; H332-L931 HydrophobicContact CB-CD1 4.27Å; H332-L931 WeakPolarHBondContact ND1-CD1 3.41Å
333	L	85.3	Confident	80.3	Confident	15 Å²	15	47.2 Å²	47.2	8%	0.079	24%	0.24	C	C	.	.			trans	-112.4	122.2	-174.9	-80.3	151.3	0	0	0	111	L318 A331 T335 I336 Y342 V356 F368 F377	L318-L333 HydrophobicContact CD2-CD1 4.42Å; A331-L333 HydrophobicContact CB-CD1 4.15Å; L333-T335 VanDerWaalsContact C-N 3.32Å; L333-T335 PolarHBondContact O-N 2.92Å; L333-I336 HydrophobicContact CB-CD1 3.36Å; L333-I336 HydrophobicContact CB-CG1 3.81Å; L333-I336 HydrophobicContact CD1-CD1 3.62Å; L333-I336 HydrophobicContact CG-CD1 4.01Å; L333-Y342 HydrophobicContact CD1-CD1 4.13Å; L333-Y342 HydrophobicContact CD1-CE1 3.75Å; L333-V356 HydrophobicContact CD1-CG2 4.32Å; L333-V356 HydrophobicContact CD2-CG2 4.27Å; L333-F368 HydrophobicContact CD2-CB 3.65Å; L333-F368 HydrophobicContact CD2-CD1 3.67Å; L333-F368 HydrophobicContact CD2-CD2 3.76Å; L333-F368 HydrophobicContact CD2-CE1 4.26Å; L333-F368 HydrophobicContact CD2-CE2 4.31Å; L333-F368 HydrophobicContact CD2-CG 3.41Å; L333-F368 VanDerWaalsContact CD2-CG 3.41Å; L333-F377 HydrophobicContact CD2-CB 3.4Å; L333-F377 VanDerWaalsContact CD2-CB 3.4Å; L333-F377 HydrophobicContact CD2-CD1 4.02Å; L333-F377 HydrophobicContact CD2-CD2 4.07Å; L333-F377 HydrophobicContact CD2-CG 3.56Å; L333-F377 HydrophobicContact CG-CB 3.91Å; L333-F377 HydrophobicContact CG-CD2 3.95Å; L333-F377 HydrophobicContact CG-CG 3.96Å
334	P	71.1	Confident	80.4	Confident	9 Å²	9	46.4 Å²	46.4	6%	0.058	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.8	-158.1	-16.7	14.3	0	0	0	119.8	F368 F377 Y911 I928	P334-F368 HydrophobicContact CG-CD1 4.47Å; P334-F368 HydrophobicContact CG-CE1 4.11Å; P334-F377 VanDerWaalsContact CD-O 3.25Å; P334-F377 WeakPolarHBondContact CD-O 3.25Å; P334-F377 WeakPolarHBondContact CG-O 3.34Å; P334-Y911 HydrophobicContact CB-CD2 4.32Å; P334-Y911 HydrophobicContact CB-CE2 3.97Å; P334-Y911 HydrophobicContact CG-CD2 3.87Å; P334-Y911 HydrophobicContact CG-CE2 3.9Å; P334-I928 HydrophobicContact CB-CD1 3.71Å; P334-I928 HydrophobicContact CB-CG1 4.4Å; P334-I928 HydrophobicContact CB-CG2 4.06Å; P334-I928 WeakPolarHBondContact O-CG2 3.21Å
335	T	64.7	Low	80.5	Confident	49 Å²	49	47.7 Å²	47.7	30%	0.301	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.5	25.8	-168.9	58.3	0	0	0	0	115.1	L333 R340 I928	L333-T335 VanDerWaalsContact C-N 3.32Å; L333-T335 PolarHBondContact O-N 2.92Å; T335-R340 VanDerWaalsContact O-CZ 3.29Å; T335-R340 PolarHBondContact O-NH1 2.84Å; T335-R340 PolarHBondContact O-NH2 3.31Å; T335-I928 HydrophobicContact CG2-CD1 4.14Å; T335-I928 HydrophobicContact CG2-CG1 4.22Å
336	I	60.5	Low	80.2	Confident	52 Å²	52	47.7 Å²	47.7	27%	0.267	24%	0.241	S	C	.	.			trans	-89	129.7	-169.5	-65.3	-166.2	0	0	0	114.1	L333 Y342 V356	L333-I336 HydrophobicContact CB-CD1 3.36Å; L333-I336 HydrophobicContact CB-CG1 3.81Å; L333-I336 HydrophobicContact CD1-CD1 3.62Å; L333-I336 HydrophobicContact CG-CD1 4.01Å; I336-Y342 HydrophobicContact CD1-CE1 3.62Å; I336-V356 HydrophobicContact CD1-CB 4.48Å; I336-V356 HydrophobicContact CD1-CG1 3.64Å; I336-V356 HydrophobicContact CD1-CG2 4.08Å; I336-V356 HydrophobicContact CG1-CG1 4.15Å
337	Q	61.3	Low	80	Confident	70 Å²	70	42.3 Å²	42.3	33%	0.327	22%	0.217	S	C	.	.			trans	-92.4	150.8	159.8	-69	154.9	-45.8	0	0	108.4	E339 P530	Q337-E339 PolarHBondContact O-N 2.88Å; Q337-P530 PolarHBondContact NE2-O 2.88Å
338	A	56.4	Low	79.2	Confident	47 Å²	47	39.1 Å²	39.1	39%	0.388	20%	0.197	S	C	.	.	S	Bend	trans	-66.1	-9.4	-165	0	0	0	0	0	117	T315 V316	T315-A338 HydrophobicContact CG2-CB 3.6Å; V316-A338 PolarHBondContact N-O 2.72Å
339	E	59.3	Low	78.2	Confident	170 Å²	170	39.4 Å²	39.4	79%	0.794	20%	0.201	S	C	*	.	S	Bend	trans	-104.4	74.8	179	-65.7	169.8	-166.4	0	0	109.8	Q337	Q337-E339 PolarHBondContact O-N 2.88Å
340	R	74.8	Confident	77.6	Confident	20 Å²	20	38.7 Å²	38.7	8%	0.075	20%	0.197	C	C	.	.			trans	-141.8	145.8	174.4	-67.5	-170.4	-172.1	168.5	14	112.5	T335 Y342 V356 D357	T335-R340 VanDerWaalsContact O-CZ 3.29Å; T335-R340 PolarHBondContact O-NH1 2.84Å; T335-R340 PolarHBondContact O-NH2 3.31Å; R340-Y342 VanDerWaalsContact O-CE2 3.3Å; R340-Y342 WeakPolarHBondContact O-CE2 3.37Å; R340-V356 HydrophobicContact CB-CG1 4.11Å; R340-V356 HydrophobicContact CG-CG1 4.47Å; R340-D357 VanDerWaalsContact CD-O 3.31Å; R340-D357 WeakPolarHBondContact CD-O 3.34Å
341	F	81.7	Confident	77.4	Confident	81 Å²	81	33.8 Å²	33.8	36%	0.355	18%	0.176	S	C	.	.			trans	-81.5	154.2	167.7	177.6	-100.3	0	0	0	110.4	D357 Y386	F341-D357 HydrophobicContact CB-CB 4.36Å; F341-D357 PolarHBondContact O-N 2.84Å; F341-Y386 HydrophobicContact CD1-CE1 4.14Å; F341-Y386 AromaticContact CE1-CE1 3.71Å; F341-Y386 HydrophobicContact CE1-CE1 3.71Å; F341-Y386 AromaticContact CE1-CZ 3.83Å; F341-Y386 WeakPolarHBondContact CE1-OH 3.12Å
342	Y	87.6	Confident	77.4	Confident	15 Å²	15	33.4 Å²	33.4	6%	0.059	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	139	178.9	-53.6	-101.3	0	0	0	108.2	W266 V316 L318 L333 I336 R340 H355 V356	W266-Y342 WeakPolarHBondContact CH2-O 3.46Å; W266-Y342 WeakPolarHBondContact CZ2-O 3.39Å; V316-Y342 HydrophobicContact CB-CE2 4.22Å; V316-Y342 HydrophobicContact CG1-CD2 4.17Å; V316-Y342 HydrophobicContact CG1-CE2 3.8Å; V316-Y342 PolarHBondContact O-OH 2.87Å; L318-Y342 HydrophobicContact CB-CD1 3.85Å; L318-Y342 HydrophobicContact CB-CE1 3.87Å; L318-Y342 HydrophobicContact CB-CG 4.2Å; L318-Y342 HydrophobicContact CD2-CD1 3.98Å; L318-Y342 HydrophobicContact CD2-CG 4.5Å; L318-Y342 HydrophobicContact CG-CD1 4.49Å; L333-Y342 HydrophobicContact CD1-CD1 4.13Å; L333-Y342 HydrophobicContact CD1-CE1 3.75Å; I336-Y342 HydrophobicContact CD1-CE1 3.62Å; R340-Y342 VanDerWaalsContact O-CE2 3.3Å; R340-Y342 WeakPolarHBondContact O-CE2 3.37Å; Y342-H355 WeakPolarHBondContact CA-O 3.26Å; Y342-V356 HydrophobicContact CD1-CG2 3.98Å; Y342-V356 HydrophobicContact CE1-CG2 4.44Å
343	S	89.2	Confident	77.6	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.014	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	124.9	164.2	-155.6	0	0	0	0	111.4	L345 H355 E1192	S343-L345 PolarHBondContact O-N 2.76Å; S343-H355 PolarHBondContact N-O 3.16Å; S343-H355 PolarHBondContact O-N 3.41Å; S343-E1192 PolarHBondContact OG-OE1 2.8Å
344	V	89.2	Confident	77.9	Confident	6 Å²	6	31.4 Å²	31.4	4%	0.036	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.2	173.2	-169.8	0	0	0	0	107.4	W266 Y304 V347 A352 V354	W266-V344 HydrophobicContact CB-CB 4.08Å; W266-V344 HydrophobicContact CB-CG2 3.98Å; W266-V344 HydrophobicContact CD2-CB 4.16Å; W266-V344 HydrophobicContact CD2-CG2 3.63Å; W266-V344 HydrophobicContact CE3-CG2 3.97Å; W266-V344 HydrophobicContact CG-CB 3.74Å; W266-V344 HydrophobicContact CG-CG2 3.64Å; Y304-V344 HydrophobicContact CD2-CG1 4.14Å; Y304-V344 HydrophobicContact CD2-CG2 3.83Å; Y304-V344 HydrophobicContact CE2-CG1 4.29Å; Y304-V344 HydrophobicContact CG-CG2 3.9Å; V344-V347 HydrophobicContact CG1-CG2 4.15Å; V344-A352 HydrophobicContact CG1-CB 4.33Å; V344-V354 HydrophobicContact CB-CG2 4.48Å; V344-V354 HydrophobicContact CG1-CG2 4.32Å; V344-V354 HydrophobicContact CG2-CG2 4.13Å
345	L	88.4	Confident	78.9	Confident	26 Å²	26	31 Å²	31	14%	0.136	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-36.3	-170.6	-57.5	-171.1	0	0	0	113.3	S343 F353 H355 L367 T393 F395	S343-L345 PolarHBondContact O-N 2.76Å; L345-F353 PolarHBondContact N-O 2.86Å; L345-H355 HydrophobicContact CD1-CB 4.16Å; L345-H355 HydrophobicContact CD2-CB 4.15Å; L345-H355 HydrophobicContact CG-CB 4.16Å; L345-L367 HydrophobicContact CD1-CD1 3.67Å; L345-L367 HydrophobicContact CG-CD1 4.5Å; L345-T393 HydrophobicContact CD1-CG2 4.32Å; L345-T393 HydrophobicContact CD2-CG2 4.26Å; L345-F395 HydrophobicContact CB-CD1 3.91Å; L345-F395 HydrophobicContact CB-CE1 4.2Å; L345-F395 HydrophobicContact CD1-CB 3.92Å; L345-F395 HydrophobicContact CD1-CD1 4Å; L345-F395 HydrophobicContact CD1-CD2 4.27Å; L345-F395 HydrophobicContact CD1-CG 3.79Å
346	E	85.2	Confident	80.1	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.019	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	154.9	179.5	-179.9	66	162.3	0	0	109.4	F353 F395 R397 Y405 L1188	E346-F353 PolarHBondContact O-N 2.83Å; E346-F395 HydrophobicContact CB-CE1 4.03Å; E346-R397 WeakPolarHBondContact OE1-CD 3.33Å; E346-R397 IonicContact OE1-CZ 2.99Å; E346-R397 IonicContact OE1-NE 2.99Å; E346-R397 IonicContact OE1-NH1 2.66Å; E346-R397 PolarHBondContact OE1-NH1 2.8Å; E346-Y405 HydrophobicContact CG-CE1 4.24Å; E346-L1188 WeakPolarHBondContact OE2-CB 3.46Å; E346-L1188 PolarHBondContact OE2-N 3.44Å
347	V	83.3	Confident	81.5	Confident	20 Å²	20	27.4 Å²	27.4	12%	0.121	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.1	167.6	-175.5	0	0	0	0	108.8	G300 F302 V344 S351 A352 L1188	G300-V347 WeakPolarHBondContact O-CG1 3.33Å; F302-V347 HydrophobicContact CD2-CG1 3.66Å; F302-V347 HydrophobicContact CD2-CG2 4.5Å; F302-V347 HydrophobicContact CE2-CG1 4.02Å; V344-V347 HydrophobicContact CG1-CG2 4.15Å; V347-S351 CarbonylContact C-O 3.38Å; V347-S351 VanDerWaalsContact CA-O 3.31Å; V347-S351 WeakPolarHBondContact CA-O 3.36Å; V347-S351 WeakPolarHBondContact CG1-O 3.5Å; V347-A352 HydrophobicContact CG2-CB 3.89Å; V347-L1188 HydrophobicContact CB-CD1 3.66Å; V347-L1188 HydrophobicContact CG2-CD1 3.58Å
348	E	75.9	Confident	82.6	Confident	8 Å²	8	24.3 Å²	24.3	4%	0.037	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132	178.1	-179.4	-179.8	-122.3	0	0	111.2	D350 S351 R397 G403 Y405 R424	E348-D350 VanDerWaalsContact C-N 3.3Å; E348-D350 PolarHBondContact O-N 3.02Å; E348-S351 PolarHBondContact N-O 2.82Å; E348-S351 PolarHBondContact O-N 2.8Å; E348-S351 PolarHBondContact O-OG 2.91Å; E348-R397 VanDerWaalsContact CG-NH2 3.33Å; E348-R397 IonicContact OE1-CZ 3.64Å; E348-R397 IonicContact OE1-NE 2.86Å; E348-R397 PolarHBondContact OE1-NE 3.33Å; E348-R397 IonicContact OE1-NH2 2.72Å; E348-R397 PolarHBondContact OE1-NH2 3.11Å; E348-G403 PolarHBondContact OE2-N 2.83Å; E348-Y405 WeakPolarHBondContact CB-OH 3.36Å; E348-Y405 PolarHBondContact OE2-OH 3.12Å; E348-R424 VanDerWaalsContact CG-NH2 3.34Å; E348-R424 IonicContact OE1-NH2 3.67Å; E348-R424 IonicContact OE2-CZ 3.72Å; E348-R424 VanDerWaalsContact OE2-CZ 3.25Å; E348-R424 IonicContact OE2-NE 3.2Å; E348-R424 PolarHBondContact OE2-NE 3Å; E348-R424 IonicContact OE2-NH2 3.64Å; E348-R424 PolarHBondContact OE2-NH2 3.4Å
349	D	70.3	Confident	83.7	Confident	53 Å²	53	23.7 Å²	23.7	28%	0.283	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-80.7	-172.7	-63.5	-17.6	0	0	0	113.2	G300 R402 R424	G300-D349 WeakPolarHBondContact CA-O 3.47Å; G300-D349 PolarHBondContact N-O 3.22Å; D349-R402 IonicContact OD2-CZ 2.76Å; D349-R402 IonicContact OD2-NE 3.75Å; D349-R402 PolarHBondContact OD2-NE 3.05Å; D349-R402 VanDerWaalsContact OD2-NE 3.12Å; D349-R402 IonicContact OD2-NH2 2.78Å; D349-R402 PolarHBondContact OD2-NH2 2.87Å; D349-R424 IonicContact OD2-CZ 3.66Å; D349-R424 IonicContact OD2-NH1 3.71Å; D349-R424 PolarHBondContact OD2-NH1 2.82Å; D349-R424 VanDerWaalsContact OD2-NH1 3.12Å; D349-R424 IonicContact OD2-NH2 3.41Å; D349-R424 PolarHBondContact OD2-NH2 2.9Å
350	D	77.2	Confident	84.8	Confident	25 Å²	25	22.7 Å²	22.7	13%	0.134	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.9	22.2	-176.3	-69.6	-67.5	0	0	0	112.3	K298 G300 F302 E348 I372	K298-D350 VanDerWaalsContact O-OD1 3.09Å; G300-D350 PolarHBondContact N-OD1 2.91Å; F302-D350 WeakPolarHBondContact CZ-O 3.34Å; E348-D350 VanDerWaalsContact C-N 3.3Å; E348-D350 PolarHBondContact O-N 3.02Å; D350-I372 HydrophobicContact CB-CG2 4.36Å; D350-I372 WeakPolarHBondContact O-CA 3.09Å
351	S	85.9	Confident	84.9	Confident	1 Å²	1	27 Å²	27	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.8	177.9	52.8	0	0	0	0	113.9	V347 E348 S370	V347-S351 CarbonylContact C-O 3.38Å; V347-S351 VanDerWaalsContact CA-O 3.31Å; V347-S351 WeakPolarHBondContact CA-O 3.36Å; V347-S351 WeakPolarHBondContact CG1-O 3.5Å; E348-S351 PolarHBondContact N-O 2.82Å; E348-S351 PolarHBondContact O-N 2.8Å; E348-S351 PolarHBondContact O-OG 2.91Å; S351-S370 WeakPolarHBondContact CA-OG 3.46Å
352	A	90.3	Very high	85.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.8	178.6	0	0	0	0	0	111.5	F302 Y304 V344 V347 I369 S370	F302-A352 HydrophobicContact CD2-CB 4.19Å; Y304-A352 HydrophobicContact CE2-CB 3.58Å; Y304-A352 VanDerWaalsContact OH-CB 3.31Å; Y304-A352 WeakPolarHBondContact OH-CB 3.12Å; V344-A352 HydrophobicContact CG1-CB 4.33Å; V347-A352 HydrophobicContact CG2-CB 3.89Å; A352-I369 WeakPolarHBondContact O-CA 3.33Å; A352-S370 PolarHBondContact N-OG 3.08Å; A352-S370 PolarHBondContact O-N 2.88Å
353	F	91.8	Very high	85	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.009	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.6	166.1	-83.1	-72.2	0	0	0	109.9	L345 E346 L367 F368 I369 F395 Y405 R424	L345-F353 PolarHBondContact N-O 2.86Å; E346-F353 PolarHBondContact O-N 2.83Å; F353-L367 HydrophobicContact CB-CD1 4.29Å; F353-L367 HydrophobicContact CD1-CD1 4.14Å; F353-L367 HydrophobicContact CD1-CD2 3.71Å; F353-L367 HydrophobicContact CD1-CG 3.86Å; F353-L367 HydrophobicContact CE1-CD2 3.94Å; F353-L367 HydrophobicContact CE1-CG 4.45Å; F353-F368 WeakPolarHBondContact CA-O 3.41Å; F353-I369 HydrophobicContact CD1-CB 4.2Å; F353-I369 HydrophobicContact CE1-CB 4.08Å; F353-I369 HydrophobicContact CE1-CD1 4.12Å; F353-I369 HydrophobicContact CE1-CG1 4.41Å; F353-I369 HydrophobicContact CE2-CD1 4.26Å; F353-I369 HydrophobicContact CZ-CD1 3.92Å; F353-F395 HydrophobicContact CB-CE1 4.37Å; F353-F395 HydrophobicContact CB-CZ 4.06Å; F353-F395 HydrophobicContact CD1-CE2 4.43Å; F353-F395 HydrophobicContact CD1-CZ 4.15Å; F353-F395 HydrophobicContact CD2-CE1 4.34Å; F353-F395 AromaticContact CD2-CZ 3.68Å; F353-F395 HydrophobicContact CD2-CZ 3.68Å; F353-F395 HydrophobicContact CE1-CZ 4.49Å; F353-F395 HydrophobicContact CE2-CZ 4.06Å; F353-F395 HydrophobicContact CG-CE1 4.41Å; F353-F395 HydrophobicContact CG-CE2 4.4Å; F353-F395 AromaticContact CG-CZ 3.7Å; F353-F395 HydrophobicContact CG-CZ 3.7Å; F353-F395 HydrophobicContact CZ-CZ 4.43Å; F353-Y405 HydrophobicContact CD2-CE1 4.24Å; F353-Y405 HydrophobicContact CE2-CD1 4.23Å; F353-Y405 HydrophobicContact CE2-CD2 4.03Å; F353-Y405 AromaticContact CE2-CE1 3.96Å; F353-Y405 HydrophobicContact CE2-CE1 3.96Å; F353-Y405 AromaticContact CE2-CE2 3.78Å; F353-Y405 HydrophobicContact CE2-CE2 3.78Å; F353-Y405 HydrophobicContact CE2-CG 4.29Å; F353-Y405 AromaticContact CE2-CZ 3.76Å; F353-Y405 HydrophobicContact CZ-CD2 4.34Å; F353-Y405 HydrophobicContact CZ-CE2 4.42Å; F353-R424 WeakPolarHBondContact CZ-O 3.48Å
354	V	92.2	Very high	85	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.1	-179	177.4	0	0	0	0	109.9	L318 V344 V356 F368 F377	L318-V354 HydrophobicContact CD2-CG1 4.01Å; L318-V354 HydrophobicContact CD2-CG2 4.46Å; V344-V354 HydrophobicContact CB-CG2 4.48Å; V344-V354 HydrophobicContact CG1-CG2 4.32Å; V344-V354 HydrophobicContact CG2-CG2 4.13Å; V354-V356 HydrophobicContact CG1-CG2 4.15Å; V354-F368 PolarHBondContact N-O 3.13Å; V354-F368 PolarHBondContact O-N 2.73Å; V354-F377 HydrophobicContact CB-CD1 4.49Å; V354-F377 HydrophobicContact CB-CE1 3.87Å; V354-F377 HydrophobicContact CB-CZ 4.44Å; V354-F377 HydrophobicContact CG2-CE1 3.47Å; V354-F377 VanDerWaalsContact CG2-CE1 3.47Å; V354-F377 HydrophobicContact CG2-CZ 3.73Å
355	H	92.3	Very high	85	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	140.9	165.9	-163.3	62.2	0	0	0	110.8	Y342 S343 L345 D357 G365 A366 H384 Y386	Y342-H355 WeakPolarHBondContact CA-O 3.26Å; S343-H355 PolarHBondContact N-O 3.16Å; S343-H355 PolarHBondContact O-N 3.41Å; L345-H355 HydrophobicContact CD1-CB 4.16Å; L345-H355 HydrophobicContact CD2-CB 4.15Å; L345-H355 HydrophobicContact CG-CB 4.16Å; H355-D357 IonicContact CD2-OD1 3.2Å; H355-D357 PolarHBondContact CD2-OD1 3.31Å; H355-D357 VanDerWaalsContact CD2-OD1 3.27Å; H355-D357 IonicContact NE2-OD1 3.36Å; H355-G365 VanDerWaalsContact CE1-CA 3.41Å; H355-G365 WeakPolarHBondContact CE1-CA 3.24Å; H355-G365 PolarHBondContact CE1-N 3.46Å; H355-G365 WeakPolarHBondContact NE2-CA 3.31Å; H355-G365 PolarHBondContact NE2-N 3.3Å; H355-A366 PolarHBondContact ND1-O 3.43Å; H355-H384 AromaticContact CE1-ND1 3.48Å; H355-H384 PolarHBondContact CE1-ND1 3.19Å; H355-H384 AromaticContact ND1-CG 3.88Å; H355-H384 AromaticContact ND1-ND1 3.14Å; H355-H384 PolarHBondContact ND1-ND1 2.73Å; H355-H384 VanDerWaalsContact ND1-ND1 3.14Å; H355-Y386 VanDerWaalsContact CD2-CB 3.47Å; H355-Y386 WeakPolarHBondContact CD2-CB 3.37Å; H355-Y386 AromaticContact CD2-CD1 3.95Å; H355-Y386 AromaticContact CD2-CD2 3.81Å; H355-Y386 AromaticContact CD2-CG 3.46Å; H355-Y386 VanDerWaalsContact CD2-CG 3.46Å; H355-Y386 WeakPolarHBondContact NE2-CB 3.22Å; H355-Y386 AromaticContact NE2-CG 3.74Å
356	V	90.3	Very high	85	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	117.3	173.2	-179.2	0	0	0	0	108.3	L333 I336 R340 Y342 V354 G365 A366 F368	L333-V356 HydrophobicContact CD1-CG2 4.32Å; L333-V356 HydrophobicContact CD2-CG2 4.27Å; I336-V356 HydrophobicContact CD1-CB 4.48Å; I336-V356 HydrophobicContact CD1-CG1 3.64Å; I336-V356 HydrophobicContact CD1-CG2 4.08Å; I336-V356 HydrophobicContact CG1-CG1 4.15Å; R340-V356 HydrophobicContact CB-CG1 4.11Å; R340-V356 HydrophobicContact CG-CG1 4.47Å; Y342-V356 HydrophobicContact CD1-CG2 3.98Å; Y342-V356 HydrophobicContact CE1-CG2 4.44Å; V354-V356 HydrophobicContact CG1-CG2 4.15Å; V356-G365 CarbonylContact O-C 3.59Å; V356-G365 VanDerWaalsContact O-CA 3.25Å; V356-G365 WeakPolarHBondContact O-CA 3.33Å; V356-A366 PolarHBondContact N-O 3.11Å; V356-A366 PolarHBondContact O-N 2.82Å; V356-F368 HydrophobicContact CB-CD2 4.15Å; V356-F368 HydrophobicContact CB-CE2 3.89Å; V356-F368 HydrophobicContact CG2-CD2 3.76Å; V356-F368 HydrophobicContact CG2-CE2 3.91Å
357	D	87.9	Confident	85.3	Confident	24 Å²	24	27.1 Å²	27.1	13%	0.128	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	146.6	-176.3	-68.9	17.7	0	0	0	111.8	R340 F341 H355	R340-D357 VanDerWaalsContact CD-O 3.31Å; R340-D357 WeakPolarHBondContact CD-O 3.34Å; F341-D357 HydrophobicContact CB-CB 4.36Å; F341-D357 PolarHBondContact O-N 2.84Å; H355-D357 IonicContact CD2-OD1 3.2Å; H355-D357 PolarHBondContact CD2-OD1 3.31Å; H355-D357 VanDerWaalsContact CD2-OD1 3.27Å; H355-D357 IonicContact NE2-OD1 3.36Å
358	A	85.1	Confident	85.7	Confident	6 Å²	6	26.1 Å²	26.1	5%	0.05	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-78.2	144.8	167.3	0	0	0	0	0	110	T362 Y364	A358-T362 WeakPolarHBondContact CB-OG1 3.26Å; A358-Y364 HydrophobicContact CB-CD2 3.95Å; A358-Y364 HydrophobicContact CB-CE2 3.64Å; A358-Y364 WeakPolarHBondContact CB-O 3.29Å; A358-Y364 PolarHBondContact N-O 3.22Å
359	P	80.4	Confident	86.4	Confident	33 Å²	33	25.9 Å²	25.9	21%	0.214	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	146	-169.1	26.8	-35.5	0	0	0	112.6	T362	P359-T362 WeakPolarHBondContact O-CG2 3.2Å
360	N	80.8	Confident	87.4	Confident	150 Å²	150	23.3 Å²	23.3	80%	0.802	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	44.7	-175.6	-39.3	-93.9	0	0	0	114.4	T362	N360-T362 PolarHBondContact O-N 2.89Å
361	D	78.3	Confident	87.8	Confident	110 Å²	110	23.1 Å²	23.1	59%	0.588	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.1	59.7	168.7	-57.3	-1.9	0	0	0	112.9	G363 N388	D361-G363 VanDerWaalsContact C-N 3.33Å; D361-G363 PolarHBondContact O-N 2.88Å; D361-N388 VanDerWaalsContact C-OD1 3.31Å; D361-N388 PolarHBondContact O-ND2 3.45Å; D361-N388 PolarHBondContact O-OD1 2.98Å
362	T	84.9	Confident	87.7	Confident	53 Å²	53	28.5 Å²	28.5	33%	0.325	16%	0.158	S	C	.	.			trans	-86.4	0.6	-170.7	62.8	0	0	0	0	114.6	A358 P359 N360 Y364	A358-T362 WeakPolarHBondContact CB-OG1 3.26Å; P359-T362 WeakPolarHBondContact O-CG2 3.2Å; N360-T362 PolarHBondContact O-N 2.89Å; T362-Y364 HydrophobicContact CG2-CE1 4.27Å; T362-Y364 WeakPolarHBondContact O-CD1 3.4Å; T362-Y364 PolarHBondContact O-N 3.02Å; T362-Y364 WeakPolarHBondContact OG1-CD1 3.27Å; T362-Y364 WeakPolarHBondContact OG1-CE1 3.5Å; T362-Y364 PolarHBondContact OG1-O 3.2Å
363	G	86.5	Confident	87.4	Confident	16 Å²	16	29.1 Å²	29.1	17%	0.165	16%	0.162	C	C	.	.	S	Bend	trans	71	14.6	-173.3	0	0	0	0	0	114.4	D361 Y386 N388	D361-G363 VanDerWaalsContact C-N 3.33Å; D361-G363 PolarHBondContact O-N 2.88Å; G363-Y386 CarbonylContact C-O 3.53Å; G363-Y386 VanDerWaalsContact CA-O 3.31Å; G363-Y386 WeakPolarHBondContact CA-O 3.07Å; G363-Y386 CarbonylContact O-C 3.01Å; G363-Y386 PolarHBondContact O-N 3.14Å; G363-Y386 VanDerWaalsContact O-O 3.12Å; G363-N388 VanDerWaalsContact CA-OD1 3.28Å; G363-N388 WeakPolarHBondContact CA-OD1 3.49Å; G363-N388 PolarHBondContact N-OD1 2.77Å
364	Y	89.2	Confident	87.2	Confident	55 Å²	55	29 Å²	29	22%	0.216	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	166.2	175.2	71	-94.4	0	0	0	110.4	A358 T362 H383 H384 L410	A358-Y364 HydrophobicContact CB-CD2 3.95Å; A358-Y364 HydrophobicContact CB-CE2 3.64Å; A358-Y364 WeakPolarHBondContact CB-O 3.29Å; A358-Y364 PolarHBondContact N-O 3.22Å; T362-Y364 HydrophobicContact CG2-CE1 4.27Å; T362-Y364 WeakPolarHBondContact O-CD1 3.4Å; T362-Y364 PolarHBondContact O-N 3.02Å; T362-Y364 WeakPolarHBondContact OG1-CD1 3.27Å; T362-Y364 WeakPolarHBondContact OG1-CE1 3.5Å; T362-Y364 PolarHBondContact OG1-O 3.2Å; Y364-H383 HydrophobicContact CD2-CB 4.11Å; Y364-H383 AromaticContact CE2-CD2 3.71Å; Y364-H384 VanDerWaalsContact CA-O 3.26Å; Y364-H384 WeakPolarHBondContact CA-O 3.47Å; Y364-H384 WeakPolarHBondContact CB-O 3.36Å; Y364-L410 HydrophobicContact CD1-CD2 3.44Å; Y364-L410 VanDerWaalsContact CD1-CD2 3.44Å; Y364-L410 HydrophobicContact CE1-CD2 4.12Å; Y364-L410 HydrophobicContact CG-CD2 4.05Å
365	G	88.6	Confident	87	Confident	3 Å²	3	29.1 Å²	29.1	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	-149	171.5	0	0	0	0	0	112.1	H355 V356 H383 H384	H355-G365 VanDerWaalsContact CE1-CA 3.41Å; H355-G365 WeakPolarHBondContact CE1-CA 3.24Å; H355-G365 PolarHBondContact CE1-N 3.46Å; H355-G365 WeakPolarHBondContact NE2-CA 3.31Å; H355-G365 PolarHBondContact NE2-N 3.3Å; V356-G365 CarbonylContact O-C 3.59Å; V356-G365 VanDerWaalsContact O-CA 3.25Å; V356-G365 WeakPolarHBondContact O-CA 3.33Å; G365-H383 CarbonylContact O-C 3.55Å; G365-H383 WeakPolarHBondContact O-CA 3.1Å; G365-H383 PolarHBondContact O-N 3.46Å; G365-H384 PolarHBondContact N-O 2.81Å; G365-H384 PolarHBondContact O-N 2.99Å
366	A	89.6	Confident	86.8	Confident	9 Å²	9	29.6 Å²	29.6	7%	0.074	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.3	169.2	0	0	0	0	0	110.3	H355 V356 F368 L381	H355-A366 PolarHBondContact ND1-O 3.43Å; V356-A366 PolarHBondContact N-O 3.11Å; V356-A366 PolarHBondContact O-N 2.82Å; A366-F368 HydrophobicContact CB-CD2 4.3Å; A366-F368 HydrophobicContact CB-CE2 3.56Å; A366-F368 HydrophobicContact CB-CZ 3.97Å; A366-L381 WeakPolarHBondContact CA-O 3.38Å
367	L	91	Very high	86.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.2	170.3	-171.7	71.3	0	0	0	108.7	L345 F353 S380 L381 H384 F395 W428	L345-L367 HydrophobicContact CD1-CD1 3.67Å; L345-L367 HydrophobicContact CG-CD1 4.5Å; F353-L367 HydrophobicContact CB-CD1 4.29Å; F353-L367 HydrophobicContact CD1-CD1 4.14Å; F353-L367 HydrophobicContact CD1-CD2 3.71Å; F353-L367 HydrophobicContact CD1-CG 3.86Å; F353-L367 HydrophobicContact CE1-CD2 3.94Å; F353-L367 HydrophobicContact CE1-CG 4.45Å; L367-S380 WeakPolarHBondContact O-CA 3.17Å; L367-S380 WeakPolarHBondContact O-CB 3.29Å; L367-S380 PolarHBondContact O-N 2.67Å; L367-L381 HydrophobicContact CB-CB 3.94Å; L367-L381 HydrophobicContact CD2-CB 4.33Å; L367-L381 PolarHBondContact N-O 3.23Å; L367-L381 PolarHBondContact O-N 2.57Å; L367-L381 VanDerWaalsContact O-N 3.1Å; L367-H384 HydrophobicContact CB-CB 4.25Å; L367-F395 HydrophobicContact CD1-CE2 4.49Å; L367-F395 HydrophobicContact CD2-CD2 4.08Å; L367-F395 HydrophobicContact CD2-CE2 3.63Å; L367-W428 HydrophobicContact CD2-CH2 4.45Å; L367-W428 HydrophobicContact CD2-CZ2 3.77Å
368	F	91.1	Very high	86.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	153.6	176.4	-64.8	-95.1	0	0	0	110.3	L333 P334 F353 V354 V356 A366 F377 S378 E379	L333-F368 HydrophobicContact CD2-CB 3.65Å; L333-F368 HydrophobicContact CD2-CD1 3.67Å; L333-F368 HydrophobicContact CD2-CD2 3.76Å; L333-F368 HydrophobicContact CD2-CE1 4.26Å; L333-F368 HydrophobicContact CD2-CE2 4.31Å; L333-F368 HydrophobicContact CD2-CG 3.41Å; L333-F368 VanDerWaalsContact CD2-CG 3.41Å; P334-F368 HydrophobicContact CG-CD1 4.47Å; P334-F368 HydrophobicContact CG-CE1 4.11Å; F353-F368 WeakPolarHBondContact CA-O 3.41Å; V354-F368 PolarHBondContact N-O 3.13Å; V354-F368 PolarHBondContact O-N 2.73Å; V356-F368 HydrophobicContact CB-CD2 4.15Å; V356-F368 HydrophobicContact CB-CE2 3.89Å; V356-F368 HydrophobicContact CG2-CD2 3.76Å; V356-F368 HydrophobicContact CG2-CE2 3.91Å; A366-F368 HydrophobicContact CB-CD2 4.3Å; A366-F368 HydrophobicContact CB-CE2 3.56Å; A366-F368 HydrophobicContact CB-CZ 3.97Å; F368-F377 HydrophobicContact CB-CB 4.13Å; F368-F377 HydrophobicContact CB-CD1 3.82Å; F368-F377 HydrophobicContact CB-CG 4.37Å; F368-F377 HydrophobicContact CD1-CB 4.45Å; F368-S378 WeakPolarHBondContact CA-O 3.45Å; F368-S378 WeakPolarHBondContact CB-O 3.22Å; F368-S378 VanDerWaalsContact CD1-O 3.29Å; F368-S378 WeakPolarHBondContact CD1-O 3.38Å; F368-E379 HydrophobicContact CD1-CB 4.09Å; F368-E379 HydrophobicContact CE1-CB 3.83Å; F368-E379 HydrophobicContact CE1-CG 4.06Å; F368-E379 HydrophobicContact CZ-CG 4.45Å
369	I	90.8	Very high	86.7	Confident	2 Å²	2	31 Å²	31	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.9	172.3	-174.2	170	0	0	0	110.6	A352 F353 F377 S378 R424 R950	A352-I369 WeakPolarHBondContact O-CA 3.33Å; F353-I369 HydrophobicContact CD1-CB 4.2Å; F353-I369 HydrophobicContact CE1-CB 4.08Å; F353-I369 HydrophobicContact CE1-CD1 4.12Å; F353-I369 HydrophobicContact CE1-CG1 4.41Å; F353-I369 HydrophobicContact CE2-CD1 4.26Å; F353-I369 HydrophobicContact CZ-CD1 3.92Å; I369-F377 VanDerWaalsContact C-CD1 3.47Å; I369-F377 WeakPolarHBondContact O-CA 3.2Å; I369-S378 WeakPolarHBondContact CG2-OG 3.27Å; I369-S378 PolarHBondContact N-O 2.57Å; I369-S378 PolarHBondContact O-N 3.45Å; I369-S378 PolarHBondContact O-OG 2.92Å; I369-R424 HydrophobicContact CD1-CB 4.13Å; I369-R424 VanDerWaalsContact CD1-O 3.22Å; I369-R424 WeakPolarHBondContact CD1-O 3.36Å; I369-R950 PolarHBondContact O-NH2 2.81Å
370	S	91	Very high	87	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	156.1	177.9	77.6	0	0	0	0	111.8	S351 A352 P953	S351-S370 WeakPolarHBondContact CA-OG 3.46Å; A352-S370 PolarHBondContact N-OG 3.08Å; A352-S370 PolarHBondContact O-N 2.88Å; S370-P953 WeakPolarHBondContact O-CG 3.46Å
371	D	86.1	Confident	87.4	Confident	20 Å²	20	23.7 Å²	23.7	11%	0.107	13%	0.131	C	C	.	.			trans	-68.8	-178.9	157.3	76.5	-55.5	0	0	0	111.7	S373 G374 A375 I376	D371-S373 PolarHBondContact O-N 3.29Å; D371-S373 VanDerWaalsContact O-N 3.16Å; D371-S373 PolarHBondContact OD1-OG 2.64Å; D371-S373 WeakPolarHBondContact OD2-CB 3.27Å; D371-S373 PolarHBondContact OD2-N 3.32Å; D371-S373 PolarHBondContact OD2-OG 3.05Å; D371-G374 PolarHBondContact O-N 2.71Å; D371-A375 PolarHBondContact OD1-N 2.98Å; D371-A375 VanDerWaalsContact OD1-N 3.16Å; D371-I376 HydrophobicContact CB-CB 4.35Å; D371-I376 PolarHBondContact N-O 2.97Å; D371-I376 WeakPolarHBondContact OD1-CA 3.38Å; D371-I376 PolarHBondContact OD1-N 2.85Å
372	I	83.3	Confident	87.8	Confident	114 Å²	114	23.9 Å²	23.9	59%	0.585	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.4	176.8	60.7	168.2	0	0	0	114.9	D350 P953	D350-I372 HydrophobicContact CB-CG2 4.36Å; D350-I372 WeakPolarHBondContact O-CA 3.09Å; I372-P953 HydrophobicContact CG2-CB 4.02Å
373	S	83.9	Confident	88	Confident	14 Å²	14	23.2 Å²	23.2	10%	0.098	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-10.9	172.5	74.1	0	0	0	0	114.2	D371 A375	D371-S373 PolarHBondContact O-N 3.29Å; D371-S373 VanDerWaalsContact O-N 3.16Å; D371-S373 PolarHBondContact OD1-OG 2.64Å; D371-S373 WeakPolarHBondContact OD2-CB 3.27Å; D371-S373 PolarHBondContact OD2-N 3.32Å; D371-S373 PolarHBondContact OD2-OG 3.05Å; S373-A375 PolarHBondContact O-N 3.12Å; S373-A375 WeakPolarHBondContact OG-CB 3.31Å; S373-A375 PolarHBondContact OG-N 2.75Å
374	G	88.3	Confident	88.3	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	76.4	0.3	-173.1	0	0	0	0	0	114.3	F302 Y304 D371 F377	F302-G374 VanDerWaalsContact CE1-CA 3.5Å; Y304-G374 WeakPolarHBondContact CE1-O 3.45Å; Y304-G374 VanDerWaalsContact OH-CA 3.3Å; Y304-G374 WeakPolarHBondContact OH-CA 3.32Å; Y304-G374 PolarHBondContact OH-O 2.98Å; D371-G374 PolarHBondContact O-N 2.71Å; G374-F377 VanDerWaalsContact O-CE2 3.28Å; G374-F377 WeakPolarHBondContact O-CE2 3.19Å
375	A	88.3	Confident	88.4	Confident	2 Å²	2	20.2 Å²	20.2	2%	0.017	10%	0.1	C	C	.	.			trans	-110.9	-29.8	-166.8	0	0	0	0	0	114.7	V320 A331 H332 D371 S373	V320-A375 HydrophobicContact CG1-CB 3.86Å; A331-A375 CarbonylContact C-O 3.57Å; A331-A375 WeakPolarHBondContact CA-O 3.38Å; H332-A375 PolarHBondContact N-O 2.89Å; D371-A375 PolarHBondContact OD1-N 2.98Å; D371-A375 VanDerWaalsContact OD1-N 3.16Å; S373-A375 PolarHBondContact O-N 3.12Å; S373-A375 WeakPolarHBondContact OG-CB 3.31Å; S373-A375 PolarHBondContact OG-N 2.75Å
376	I	88.2	Confident	88.5	Confident	10 Å²	10	20.8 Å²	20.8	5%	0.051	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-108.1	110.9	-174.7	-54.8	177.2	0	0	0	109.6	D371 Y911 L931 L936 R950	D371-I376 HydrophobicContact CB-CB 4.35Å; D371-I376 PolarHBondContact N-O 2.97Å; D371-I376 WeakPolarHBondContact OD1-CA 3.38Å; D371-I376 PolarHBondContact OD1-N 2.85Å; I376-Y911 HydrophobicContact CG2-CD2 4.38Å; I376-Y911 HydrophobicContact CG2-CG 4.38Å; I376-L931 HydrophobicContact CD1-CD2 4.04Å; I376-L931 HydrophobicContact CG1-CD2 4.24Å; I376-L931 HydrophobicContact CG2-CD2 4.05Å; I376-L936 HydrophobicContact CD1-CD1 3.84Å; I376-L936 HydrophobicContact CD1-CD2 3.89Å; I376-L936 HydrophobicContact CG1-CD2 4.07Å; I376-R950 PolarHBondContact O-NH1 2.8Å
377	F	89	Confident	88.3	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.5	-171.4	-74.8	-94.6	0	0	0	113.5	Y304 A331 H332 L333 P334 V354 F368 I369 G374	Y304-F377 HydrophobicContact CE1-CE2 4.45Å; Y304-F377 HydrophobicContact CE1-CZ 4.05Å; A331-F377 HydrophobicContact CB-CD2 4.25Å; A331-F377 HydrophobicContact CB-CE2 3.87Å; H332-F377 PolarHBondContact O-N 2.86Å; L333-F377 HydrophobicContact CD2-CB 3.4Å; L333-F377 VanDerWaalsContact CD2-CB 3.4Å; L333-F377 HydrophobicContact CD2-CD1 4.02Å; L333-F377 HydrophobicContact CD2-CD2 4.07Å; L333-F377 HydrophobicContact CD2-CG 3.56Å; L333-F377 HydrophobicContact CG-CB 3.91Å; L333-F377 HydrophobicContact CG-CD2 3.95Å; L333-F377 HydrophobicContact CG-CG 3.96Å; P334-F377 VanDerWaalsContact CD-O 3.25Å; P334-F377 WeakPolarHBondContact CD-O 3.25Å; P334-F377 WeakPolarHBondContact CG-O 3.34Å; V354-F377 HydrophobicContact CB-CD1 4.49Å; V354-F377 HydrophobicContact CB-CE1 3.87Å; V354-F377 HydrophobicContact CB-CZ 4.44Å; V354-F377 HydrophobicContact CG2-CE1 3.47Å; V354-F377 VanDerWaalsContact CG2-CE1 3.47Å; V354-F377 HydrophobicContact CG2-CZ 3.73Å; F368-F377 HydrophobicContact CB-CB 4.13Å; F368-F377 HydrophobicContact CB-CD1 3.82Å; F368-F377 HydrophobicContact CB-CG 4.37Å; F368-F377 HydrophobicContact CD1-CB 4.45Å; I369-F377 VanDerWaalsContact C-CD1 3.47Å; I369-F377 WeakPolarHBondContact O-CA 3.2Å; G374-F377 VanDerWaalsContact O-CE2 3.28Å; G374-F377 WeakPolarHBondContact O-CE2 3.19Å
378	S	85.8	Confident	87.6	Confident	7 Å²	7	24.1 Å²	24.1	5%	0.049	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	154.4	166.6	63.3	0	0	0	0	110.1	F368 I369 E908 R950	F368-S378 WeakPolarHBondContact CA-O 3.45Å; F368-S378 WeakPolarHBondContact CB-O 3.22Å; F368-S378 VanDerWaalsContact CD1-O 3.29Å; F368-S378 WeakPolarHBondContact CD1-O 3.38Å; I369-S378 WeakPolarHBondContact CG2-OG 3.27Å; I369-S378 PolarHBondContact N-O 2.57Å; I369-S378 PolarHBondContact O-N 3.45Å; I369-S378 PolarHBondContact O-OG 2.92Å; S378-E908 VanDerWaalsContact CB-OE2 3.3Å; S378-E908 WeakPolarHBondContact CB-OE2 3.24Å; S378-E908 PolarHBondContact OG-OE2 2.92Å; S378-R950 PolarHBondContact OG-NH2 2.83Å
379	E	85.2	Confident	86.5	Confident	54 Å²	54	31.4 Å²	31.4	25%	0.252	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.9	177.7	-174.3	179.8	-159.4	0	0	110.1	F368 R382	F368-E379 HydrophobicContact CD1-CB 4.09Å; F368-E379 HydrophobicContact CE1-CB 3.83Å; F368-E379 HydrophobicContact CE1-CG 4.06Å; F368-E379 HydrophobicContact CZ-CG 4.45Å; E379-R382 VanDerWaalsContact CD-NE 3.25Å; E379-R382 WeakPolarHBondContact OE1-CG 3.28Å; E379-R382 IonicContact OE1-CZ 3.88Å; E379-R382 IonicContact OE1-NE 3.94Å; E379-R382 PolarHBondContact OE1-NE 3.31Å; E379-R382 IonicContact OE1-NH2 2.9Å; E379-R382 IonicContact OE2-CZ 2.77Å; E379-R382 IonicContact OE2-NE 3.68Å; E379-R382 PolarHBondContact OE2-NE 2.67Å; E379-R382 IonicContact OE2-NH2 3.66Å; E379-R382 PolarHBondContact OE2-NH2 2.85Å
380	S	88	Confident	85.2	Confident	19 Å²	19	32 Å²	32	13%	0.133	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-50.4	-172.8	177.6	0	0	0	0	113.1	L367 G425 W428	L367-S380 WeakPolarHBondContact O-CA 3.17Å; L367-S380 WeakPolarHBondContact O-CB 3.29Å; L367-S380 PolarHBondContact O-N 2.67Å; S380-G425 WeakPolarHBondContact OG-CA 3.25Å; S380-G425 PolarHBondContact OG-O 2.82Å; S380-W428 PolarHBondContact O-NE1 2.68Å; S380-W428 PolarHBondContact OG-NE1 2.91Å
381	L	88	Confident	84.2	Confident	9 Å²	9	35 Å²	35	5%	0.047	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	119.8	-178	-175.7	61.3	0	0	0	112.5	A366 L367 H384 A407 V419 W428	A366-L381 WeakPolarHBondContact CA-O 3.38Å; L367-L381 HydrophobicContact CB-CB 3.94Å; L367-L381 HydrophobicContact CD2-CB 4.33Å; L367-L381 PolarHBondContact N-O 3.23Å; L367-L381 PolarHBondContact O-N 2.57Å; L367-L381 VanDerWaalsContact O-N 3.1Å; L381-H384 HydrophobicContact CD2-CB 4.45Å; L381-A407 HydrophobicContact CD2-CB 3.89Å; L381-V419 HydrophobicContact CD1-CG2 4.3Å; L381-V419 HydrophobicContact CD2-CG2 3.78Å; L381-W428 HydrophobicContact CB-CG 4.5Å; L381-W428 HydrophobicContact CD1-CB 4.15Å; L381-W428 HydrophobicContact CD1-CD2 4.39Å; L381-W428 HydrophobicContact CD1-CG 3.97Å; L381-W428 HydrophobicContact CD2-CD2 4.14Å; L381-W428 HydrophobicContact CD2-CE3 4.36Å; L381-W428 HydrophobicContact CD2-CZ2 4.43Å
382	R	87.7	Confident	83.9	Confident	114 Å²	114	35.7 Å²	35.7	43%	0.43	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	141.6	175.3	-75.9	-177	179.1	164.8	9.3	112.5	E379 H384 R409	E379-R382 VanDerWaalsContact CD-NE 3.25Å; E379-R382 WeakPolarHBondContact OE1-CG 3.28Å; E379-R382 IonicContact OE1-CZ 3.88Å; E379-R382 IonicContact OE1-NE 3.94Å; E379-R382 PolarHBondContact OE1-NE 3.31Å; E379-R382 IonicContact OE1-NH2 2.9Å; E379-R382 IonicContact OE2-CZ 2.77Å; E379-R382 IonicContact OE2-NE 3.68Å; E379-R382 PolarHBondContact OE2-NE 2.67Å; E379-R382 IonicContact OE2-NH2 3.66Å; E379-R382 PolarHBondContact OE2-NH2 2.85Å; R382-H384 VanDerWaalsContact C-N 3.32Å; R382-R409 WeakPolarHBondContact O-CD 3.39Å; R382-R409 WeakPolarHBondContact O-CG 3.39Å; R382-R409 PolarHBondContact O-NE 3.15Å; R382-R409 VanDerWaalsContact O-NE 3.09Å
383	H	88.9	Confident	84.2	Confident	39 Å²	39	31.2 Å²	31.2	18%	0.181	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.6	41.1	-178.5	-47.6	168.6	0	0	0	112.7	Y364 G365 R409 L410	Y364-H383 HydrophobicContact CD2-CB 4.11Å; Y364-H383 AromaticContact CE2-CD2 3.71Å; G365-H383 CarbonylContact O-C 3.55Å; G365-H383 WeakPolarHBondContact O-CA 3.1Å; G365-H383 PolarHBondContact O-N 3.46Å; H383-R409 HydrophobicContact CB-CG 4.28Å; H383-R409 CarbonylContact O-C 3.55Å; H383-R409 WeakPolarHBondContact O-CA 3.1Å; H383-L410 HydrophobicContact CB-CB 4.38Å; H383-L410 WeakPolarHBondContact CB-O 3.27Å; H383-L410 PolarHBondContact ND1-O 3.23Å; H383-L410 PolarHBondContact O-N 2.87Å
384	H	92.3	Very high	84.6	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	133.6	172.3	179	-107.8	0	0	0	110.1	H355 Y364 G365 L367 L381 R382 Y386 T393	H355-H384 AromaticContact CE1-ND1 3.48Å; H355-H384 PolarHBondContact CE1-ND1 3.19Å; H355-H384 AromaticContact ND1-CG 3.88Å; H355-H384 AromaticContact ND1-ND1 3.14Å; H355-H384 PolarHBondContact ND1-ND1 2.73Å; H355-H384 VanDerWaalsContact ND1-ND1 3.14Å; Y364-H384 VanDerWaalsContact CA-O 3.26Å; Y364-H384 WeakPolarHBondContact CA-O 3.47Å; Y364-H384 WeakPolarHBondContact CB-O 3.36Å; G365-H384 PolarHBondContact N-O 2.81Å; G365-H384 PolarHBondContact O-N 2.99Å; L367-H384 HydrophobicContact CB-CB 4.25Å; L381-H384 HydrophobicContact CD2-CB 4.45Å; R382-H384 VanDerWaalsContact C-N 3.32Å; H384-Y386 PolarHBondContact O-N 3.21Å; H384-T393 PolarHBondContact CE1-OG1 3.14Å
385	L	92.3	Very high	84.9	Confident	8 Å²	8	31.7 Å²	31.7	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	119.1	-177.3	178.5	63.6	0	0	0	111.3	P387 T393 T408 L416 F562	L385-P387 HydrophobicContact CD1-CG 4.34Å; L385-P387 HydrophobicContact CG-CG 4.46Å; L385-T393 PolarHBondContact O-OG1 3.5Å; L385-T408 HydrophobicContact CB-CG2 4.06Å; L385-T408 WeakPolarHBondContact CB-O 3.38Å; L385-T408 HydrophobicContact CD2-CG2 3.64Å; L385-T408 PolarHBondContact N-O 3.28Å; L385-L416 HydrophobicContact CD1-CD2 4.01Å; L385-L416 HydrophobicContact CD2-CD1 4.07Å; L385-L416 HydrophobicContact CD2-CD2 4.06Å; L385-L416 HydrophobicContact CG-CD2 4.47Å; L385-F562 HydrophobicContact CD1-CE2 4.48Å; L385-F562 HydrophobicContact CD2-CB 4.06Å; L385-F562 HydrophobicContact CD2-CD1 3.79Å; L385-F562 HydrophobicContact CD2-CD2 3.97Å; L385-F562 HydrophobicContact CD2-CE1 4.19Å; L385-F562 HydrophobicContact CD2-CE2 4.33Å; L385-F562 HydrophobicContact CD2-CG 3.66Å; L385-F562 HydrophobicContact CD2-CZ 4.43Å
386	Y	90.2	Very high	85.2	Confident	16 Å²	16	32.2 Å²	32.2	6%	0.063	16%	0.163	C	C	.	.			trans	-146.4	95.4	174.5	-164.8	-92.8	0	0	0	108.1	F341 H355 G363 H384 T393 E1192	F341-Y386 HydrophobicContact CD1-CE1 4.14Å; F341-Y386 AromaticContact CE1-CE1 3.71Å; F341-Y386 HydrophobicContact CE1-CE1 3.71Å; F341-Y386 AromaticContact CE1-CZ 3.83Å; F341-Y386 WeakPolarHBondContact CE1-OH 3.12Å; H355-Y386 VanDerWaalsContact CD2-CB 3.47Å; H355-Y386 WeakPolarHBondContact CD2-CB 3.37Å; H355-Y386 AromaticContact CD2-CD1 3.95Å; H355-Y386 AromaticContact CD2-CD2 3.81Å; H355-Y386 AromaticContact CD2-CG 3.46Å; H355-Y386 VanDerWaalsContact CD2-CG 3.46Å; H355-Y386 WeakPolarHBondContact NE2-CB 3.22Å; H355-Y386 AromaticContact NE2-CG 3.74Å; G363-Y386 CarbonylContact C-O 3.53Å; G363-Y386 VanDerWaalsContact CA-O 3.31Å; G363-Y386 WeakPolarHBondContact CA-O 3.07Å; G363-Y386 CarbonylContact O-C 3.01Å; G363-Y386 PolarHBondContact O-N 3.14Å; G363-Y386 VanDerWaalsContact O-O 3.12Å; H384-Y386 PolarHBondContact O-N 3.21Å; Y386-T393 HydrophobicContact CD2-CG2 4.48Å; Y386-E1192 PolarHBondContact OH-OE1 2.99Å; Y386-E1192 VanDerWaalsContact OH-OE1 3.07Å; Y386-E1192 PolarHBondContact OH-OE2 2.93Å
387	P	85.3	Confident	85.5	Confident	18 Å²	18	33.3 Å²	33.3	12%	0.117	17%	0.166	C	C	.	.			trans	-80.4	132.5	-167	-1.2	17.1	0	0	0	111.9	L385 H389 A390 V392 F562	L385-P387 HydrophobicContact CD1-CG 4.34Å; L385-P387 HydrophobicContact CG-CG 4.46Å; P387-H389 PolarHBondContact O-N 3.25Å; P387-A390 HydrophobicContact CB-CB 4.06Å; P387-A390 HydrophobicContact CG-CB 4.21Å; P387-A390 WeakPolarHBondContact O-CB 3.45Å; P387-A390 PolarHBondContact O-N 2.9Å; P387-V392 VanDerWaalsContact CD-O 3.24Å; P387-V392 WeakPolarHBondContact CD-O 3.38Å; P387-F562 HydrophobicContact CB-CD2 4.41Å; P387-F562 HydrophobicContact CB-CE2 4.12Å; P387-F562 HydrophobicContact CG-CD2 3.46Å; P387-F562 VanDerWaalsContact CG-CD2 3.46Å; P387-F562 HydrophobicContact CG-CE2 3.63Å
388	N	75.7	Confident	85.7	Confident	60 Å²	60	33.3 Å²	33.3	32%	0.321	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	142.7	175.7	-35	-30.1	0	0	0	111.2	D361 G363 A390	D361-N388 VanDerWaalsContact C-OD1 3.31Å; D361-N388 PolarHBondContact O-ND2 3.45Å; D361-N388 PolarHBondContact O-OD1 2.98Å; G363-N388 VanDerWaalsContact CA-OD1 3.28Å; G363-N388 WeakPolarHBondContact CA-OD1 3.49Å; G363-N388 PolarHBondContact N-OD1 2.77Å; N388-A390 PolarHBondContact O-N 3.47Å; N388-A390 VanDerWaalsContact O-N 3.15Å
389	H	67.8	Low	85.9	Confident	154 Å²	154	34.1 Å²	34.1	71%	0.713	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	18.2	-178.5	-31.8	-61.4	0	0	0	113.9	P387	P387-H389 PolarHBondContact O-N 3.25Å
390	A	64.5	Low	86.2	Confident	13 Å²	13	31.9 Å²	31.9	11%	0.107	16%	0.164	C	C	.	.			trans	-130	106.7	175.3	0	0	0	0	0	111.9	P387 N388 V392 K565	P387-A390 HydrophobicContact CB-CB 4.06Å; P387-A390 HydrophobicContact CG-CB 4.21Å; P387-A390 WeakPolarHBondContact O-CB 3.45Å; P387-A390 PolarHBondContact O-N 2.9Å; N388-A390 PolarHBondContact O-N 3.47Å; N388-A390 VanDerWaalsContact O-N 3.15Å; A390-V392 HydrophobicContact CB-CG2 3.97Å; A390-V392 PolarHBondContact O-N 3Å; A390-K565 VanDerWaalsContact CA-NZ 3.29Å; A390-K565 HydrophobicContact CB-CD 4.13Å; A390-K565 VanDerWaalsContact CB-NZ 3.27Å
391	P	70	Confident	86.3	Confident	64 Å²	64	31.5 Å²	31.5	42%	0.416	16%	0.16	S	C	.	.			trans	-76.6	59.2	171.2	33.5	-35.7	0	0	0	110.4	E1192	P391-E1192 WeakPolarHBondContact CA-OE2 3.1Å; P391-E1192 HydrophobicContact CB-CB 3.86Å; P391-E1192 WeakPolarHBondContact CB-OE2 3.39Å
392	V	79.5	Confident	86.2	Confident	34 Å²	34	33 Å²	33	21%	0.206	17%	0.165	C	C	.	.			trans	-151.3	137.4	174.9	-73.8	0	0	0	0	109.7	P387 A390 Q561 K565	P387-V392 VanDerWaalsContact CD-O 3.24Å; P387-V392 WeakPolarHBondContact CD-O 3.38Å; A390-V392 HydrophobicContact CB-CG2 3.97Å; A390-V392 PolarHBondContact O-N 3Å; V392-Q561 HydrophobicContact CB-CB 3.9Å; V392-Q561 HydrophobicContact CG1-CB 4.01Å; V392-K565 HydrophobicContact CG2-CB 4.35Å; V392-K565 HydrophobicContact CG2-CD 3.55Å
393	T	89.2	Confident	86.2	Confident	20 Å²	20	27.6 Å²	27.6	12%	0.123	15%	0.145	C	C	.	.			trans	-131.7	163.9	167.7	-179.5	0	0	0	0	109.2	L345 H384 L385 Y386 F395	L345-T393 HydrophobicContact CD1-CG2 4.32Å; L345-T393 HydrophobicContact CD2-CG2 4.26Å; H384-T393 PolarHBondContact CE1-OG1 3.14Å; L385-T393 PolarHBondContact O-OG1 3.5Å; Y386-T393 HydrophobicContact CD2-CG2 4.48Å; T393-F395 VanDerWaalsContact C-N 3.26Å; T393-F395 HydrophobicContact CG2-CB 3.78Å
394	D	93.2	Very high	86.4	Confident	4 Å²	4	25.8 Å²	25.8	2%	0.021	14%	0.136	C	C	.	.			trans	-84	0.4	176.5	-71.1	-27	0	0	0	113.1	Y396 T408 N560 Q561 F562	D394-Y396 PolarHBondContact O-N 3Å; D394-T408 WeakPolarHBondContact CB-OG1 3.18Å; D394-T408 WeakPolarHBondContact OD2-CB 3.5Å; D394-T408 PolarHBondContact OD2-OG1 2.78Å; D394-N560 HydrophobicContact CB-CB 4.07Å; D394-N560 PolarHBondContact O-ND2 2.71Å; D394-N560 WeakPolarHBondContact OD1-CB 3.34Å; D394-Q561 PolarHBondContact OD1-N 3.12Å; D394-F562 WeakPolarHBondContact OD1-CB 3.33Å; D394-F562 PolarHBondContact OD1-N 2.69Å
395	F	94.4	Very high	86.5	Confident	20 Å²	20	25.8 Å²	25.8	9%	0.088	14%	0.136	C	C	.	.			trans	-56.6	128.7	174.2	-168.1	-99.3	0	0	0	111.2	L345 E346 F353 L367 T393 Y405 L406 A407 W428	L345-F395 HydrophobicContact CB-CD1 3.91Å; L345-F395 HydrophobicContact CB-CE1 4.2Å; L345-F395 HydrophobicContact CD1-CB 3.92Å; L345-F395 HydrophobicContact CD1-CD1 4Å; L345-F395 HydrophobicContact CD1-CD2 4.27Å; L345-F395 HydrophobicContact CD1-CG 3.79Å; E346-F395 HydrophobicContact CB-CE1 4.03Å; F353-F395 HydrophobicContact CB-CE1 4.37Å; F353-F395 HydrophobicContact CB-CZ 4.06Å; F353-F395 HydrophobicContact CD1-CE2 4.43Å; F353-F395 HydrophobicContact CD1-CZ 4.15Å; F353-F395 HydrophobicContact CD2-CE1 4.34Å; F353-F395 AromaticContact CD2-CZ 3.68Å; F353-F395 HydrophobicContact CD2-CZ 3.68Å; F353-F395 HydrophobicContact CE1-CZ 4.49Å; F353-F395 HydrophobicContact CE2-CZ 4.06Å; F353-F395 HydrophobicContact CG-CE1 4.41Å; F353-F395 HydrophobicContact CG-CE2 4.4Å; F353-F395 AromaticContact CG-CZ 3.7Å; F353-F395 HydrophobicContact CG-CZ 3.7Å; F353-F395 HydrophobicContact CZ-CZ 4.43Å; L367-F395 HydrophobicContact CD1-CE2 4.49Å; L367-F395 HydrophobicContact CD2-CD2 4.08Å; L367-F395 HydrophobicContact CD2-CE2 3.63Å; T393-F395 VanDerWaalsContact C-N 3.26Å; T393-F395 HydrophobicContact CG2-CB 3.78Å; F395-Y405 AromaticContact CE1-CD1 3.85Å; F395-Y405 HydrophobicContact CE1-CD1 3.85Å; F395-Y405 HydrophobicContact CE1-CE1 4.29Å; F395-Y405 HydrophobicContact CE2-CD1 4.32Å; F395-Y405 AromaticContact CZ-CD1 3.5Å; F395-Y405 HydrophobicContact CZ-CD1 3.5Å; F395-Y405 HydrophobicContact CZ-CE1 4.13Å; F395-Y405 HydrophobicContact CZ-CG 4.1Å; F395-L406 CarbonylContact C-O 3.57Å; F395-L406 WeakPolarHBondContact CA-O 3.43Å; F395-A407 HydrophobicContact CD2-CB 4.08Å; F395-W428 HydrophobicContact CE2-CH2 4.01Å; F395-W428 HydrophobicContact CE2-CZ2 4.38Å
396	Y	94.7	Very high	86.7	Confident	14 Å²	14	25.6 Å²	25.6	6%	0.055	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	130.8	-172.7	176.1	-91	0	0	0	111.8	D394 V398 Y405 L406 P573 L574 S575	D394-Y396 PolarHBondContact O-N 3Å; Y396-V398 HydrophobicContact CD1-CG2 4.16Å; Y396-V398 HydrophobicContact CE1-CG2 4.12Å; Y396-Y405 CarbonylContact O-C 3.49Å; Y396-Y405 VanDerWaalsContact O-CA 3.32Å; Y396-Y405 WeakPolarHBondContact O-CA 3.46Å; Y396-L406 HydrophobicContact CD1-CD1 4.25Å; Y396-L406 PolarHBondContact N-O 3.06Å; Y396-L406 PolarHBondContact O-N 2.7Å; Y396-P573 HydrophobicContact CD1-CB 4.09Å; Y396-P573 HydrophobicContact CD2-CB 4.25Å; Y396-P573 HydrophobicContact CE1-CB 3.86Å; Y396-P573 HydrophobicContact CE2-CB 4.03Å; Y396-P573 WeakPolarHBondContact CE2-O 3.39Å; Y396-P573 HydrophobicContact CG-CB 4.28Å; Y396-P573 HydrophobicContact CG-CG 4.48Å; Y396-P573 VanDerWaalsContact CZ-O 3.28Å; Y396-P573 PolarHBondContact OH-O 2.81Å; Y396-L574 WeakPolarHBondContact OH-CA 3.47Å; Y396-S575 PolarHBondContact OH-N 3.38Å; Y396-S575 PolarHBondContact OH-OG 3.09Å
397	R	93.1	Very high	87	Confident	32 Å²	32	24.9 Å²	24.9	12%	0.121	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.3	176.1	-177.6	174.1	173.2	-162.2	-6.8	111.1	E346 E348 A399 Y405 L1187	E346-R397 WeakPolarHBondContact OE1-CD 3.33Å; E346-R397 IonicContact OE1-CZ 2.99Å; E346-R397 IonicContact OE1-NE 2.99Å; E346-R397 IonicContact OE1-NH1 2.66Å; E346-R397 PolarHBondContact OE1-NH1 2.8Å; E348-R397 VanDerWaalsContact CG-NH2 3.33Å; E348-R397 IonicContact OE1-CZ 3.64Å; E348-R397 IonicContact OE1-NE 2.86Å; E348-R397 PolarHBondContact OE1-NE 3.33Å; E348-R397 IonicContact OE1-NH2 2.72Å; E348-R397 PolarHBondContact OE1-NH2 3.11Å; R397-A399 PolarHBondContact O-N 3.07Å; R397-A399 VanDerWaalsContact O-N 3.12Å; R397-Y405 HydrophobicContact CB-CD1 3.86Å; R397-Y405 HydrophobicContact CB-CE1 3.63Å; R397-Y405 HydrophobicContact CG-CD1 4.12Å; R397-Y405 HydrophobicContact CG-CE1 3.54Å; R397-L1187 VanDerWaalsContact NH1-CD1 3.32Å
398	V	94.1	Very high	87.4	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.128	C	C	.	.			trans	-83.2	89.4	178	-179.4	0	0	0	0	109.5	Y396 S400 M401 T404 L406 I583	Y396-V398 HydrophobicContact CD1-CG2 4.16Å; Y396-V398 HydrophobicContact CE1-CG2 4.12Å; V398-S400 WeakPolarHBondContact CG1-OG 3.31Å; V398-S400 PolarHBondContact O-N 2.98Å; V398-M401 HydrophobicContact CG1-CB 4.35Å; V398-M401 CarbonylContact O-C 3.27Å; V398-M401 PolarHBondContact O-N 2.8Å; V398-T404 HydrophobicContact CB-CG2 3.88Å; V398-T404 WeakPolarHBondContact CB-O 3.49Å; V398-T404 HydrophobicContact CG1-CG2 4.33Å; V398-T404 HydrophobicContact CG2-CG2 3.87Å; V398-T404 PolarHBondContact N-O 3.2Å; V398-L406 HydrophobicContact CG2-CG 4.43Å; V398-I583 HydrophobicContact CB-CD1 4.49Å; V398-I583 HydrophobicContact CG1-CD1 3.54Å; V398-I583 HydrophobicContact CG1-CG1 3.75Å; V398-I583 HydrophobicContact CG2-CD1 4.07Å
399	A	90.1	Very high	88.2	Confident	24 Å²	24	22.6 Å²	22.6	20%	0.198	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.8	-176.4	0	0	0	0	0	114.7	R397 M401 S575 A577 T1185	R397-A399 PolarHBondContact O-N 3.07Å; R397-A399 VanDerWaalsContact O-N 3.12Å; A399-M401 VanDerWaalsContact C-N 3.34Å; A399-S575 PolarHBondContact N-OG 2.72Å; A399-A577 WeakPolarHBondContact O-CA 3.35Å; A399-A577 WeakPolarHBondContact O-CB 3.44Å; A399-A577 PolarHBondContact O-N 2.85Å; A399-T1185 HydrophobicContact CB-CG2 4.34Å; A399-T1185 WeakPolarHBondContact CB-OG1 3.35Å
400	S	91.3	Very high	89.3	Confident	7 Å²	7	16.7 Å²	16.7	5%	0.049	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.4	171.7	60.8	0	0	0	0	114.3	V398 S575 I576 A579 G581 L582	V398-S400 WeakPolarHBondContact CG1-OG 3.31Å; V398-S400 PolarHBondContact O-N 2.98Å; S400-S575 WeakPolarHBondContact OG-CB 3.47Å; S400-I576 WeakPolarHBondContact CB-O 3.44Å; S400-A579 VanDerWaalsContact CB-O 3.25Å; S400-A579 WeakPolarHBondContact CB-O 3.28Å; S400-G581 PolarHBondContact O-N 3.06Å; S400-L582 VanDerWaalsContact CB-O 3.29Å; S400-L582 WeakPolarHBondContact CB-O 3.37Å; S400-L582 PolarHBondContact OG-O 3.3Å
401	M	89.3	Confident	90.2	Very high	11 Å²	11	16.6 Å²	16.6	5%	0.054	9%	0.088	C	C	.	.	S	Bend	trans	-152.3	114	176.5	-173.9	169.2	-79.1	0	0	112.1	V398 A399 T404 D605 W855 P857 H858	V398-M401 HydrophobicContact CG1-CB 4.35Å; V398-M401 CarbonylContact O-C 3.27Å; V398-M401 PolarHBondContact O-N 2.8Å; A399-M401 VanDerWaalsContact C-N 3.34Å; M401-T404 VanDerWaalsContact CG-OG1 3.29Å; M401-T404 WeakPolarHBondContact CG-OG1 3.41Å; M401-T404 WeakPolarHBondContact O-CB 3.28Å; M401-T404 PolarHBondContact O-N 3.02Å; M401-T404 PolarHBondContact O-OG1 3.06Å; M401-D605 VanDerWaalsContact CE-O 3.3Å; M401-D605 WeakPolarHBondContact CE-O 3.49Å; M401-W855 HydrophobicContact CE-CH2 3.63Å; M401-W855 HydrophobicContact CE-CZ2 4.49Å; M401-W855 HydrophobicContact CE-CZ3 4.37Å; M401-P857 HydrophobicContact CE-CB 3.57Å; M401-H858 PolarHBondContact SD-CE1 2.93Å
402	R	86.1	Confident	90.7	Very high	41 Å²	41	18.6 Å²	18.6	16%	0.155	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	140.6	179.9	-176.6	172.5	175.6	-110.6	-5	111.3	D349 T404 G954	D349-R402 IonicContact OD2-CZ 2.76Å; D349-R402 IonicContact OD2-NE 3.75Å; D349-R402 PolarHBondContact OD2-NE 3.05Å; D349-R402 VanDerWaalsContact OD2-NE 3.12Å; D349-R402 IonicContact OD2-NH2 2.78Å; D349-R402 PolarHBondContact OD2-NH2 2.87Å; R402-T404 PolarHBondContact O-N 3.2Å; R402-G954 PolarHBondContact NH2-O 3.08Å
403	G	87.7	Confident	90.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	1.1	177.7	0	0	0	0	0	116.4	E348 Y405 H422 R424	E348-G403 PolarHBondContact OE2-N 2.83Å; G403-Y405 WeakPolarHBondContact O-CD2 3.37Å; G403-H422 CarbonylContact O-C 3.51Å; G403-R424 PolarHBondContact O-N 3.28Å; G403-R424 VanDerWaalsContact O-N 3.13Å
404	T	93.2	Very high	90.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.			trans	-100.5	127.9	-174.5	-57.7	0	0	0	0	112.3	V398 M401 R402 I420 T421 H422	V398-T404 HydrophobicContact CB-CG2 3.88Å; V398-T404 WeakPolarHBondContact CB-O 3.49Å; V398-T404 HydrophobicContact CG1-CG2 4.33Å; V398-T404 HydrophobicContact CG2-CG2 3.87Å; V398-T404 PolarHBondContact N-O 3.2Å; M401-T404 VanDerWaalsContact CG-OG1 3.29Å; M401-T404 WeakPolarHBondContact CG-OG1 3.41Å; M401-T404 WeakPolarHBondContact O-CB 3.28Å; M401-T404 PolarHBondContact O-N 3.02Å; M401-T404 PolarHBondContact O-OG1 3.06Å; R402-T404 PolarHBondContact O-N 3.2Å; T404-I420 HydrophobicContact CG2-CD1 4.07Å; T404-I420 HydrophobicContact CG2-CG1 4.23Å; T404-T421 VanDerWaalsContact CA-O 3.26Å; T404-T421 WeakPolarHBondContact CA-O 3.32Å; T404-T421 WeakPolarHBondContact CG2-O 3.42Å; T404-H422 PolarHBondContact OG1-CD2 2.98Å
405	Y	95.7	Very high	90.6	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.2	-176.1	-58.7	-99.7	0	0	0	111.7	E346 E348 F353 F395 Y396 R397 G403 I420 T421 R424	E346-Y405 HydrophobicContact CG-CE1 4.24Å; E348-Y405 WeakPolarHBondContact CB-OH 3.36Å; E348-Y405 PolarHBondContact OE2-OH 3.12Å; F353-Y405 HydrophobicContact CD2-CE1 4.24Å; F353-Y405 HydrophobicContact CE2-CD1 4.23Å; F353-Y405 HydrophobicContact CE2-CD2 4.03Å; F353-Y405 AromaticContact CE2-CE1 3.96Å; F353-Y405 HydrophobicContact CE2-CE1 3.96Å; F353-Y405 AromaticContact CE2-CE2 3.78Å; F353-Y405 HydrophobicContact CE2-CE2 3.78Å; F353-Y405 HydrophobicContact CE2-CG 4.29Å; F353-Y405 AromaticContact CE2-CZ 3.76Å; F353-Y405 HydrophobicContact CZ-CD2 4.34Å; F353-Y405 HydrophobicContact CZ-CE2 4.42Å; F395-Y405 AromaticContact CE1-CD1 3.85Å; F395-Y405 HydrophobicContact CE1-CD1 3.85Å; F395-Y405 HydrophobicContact CE1-CE1 4.29Å; F395-Y405 HydrophobicContact CE2-CD1 4.32Å; F395-Y405 AromaticContact CZ-CD1 3.5Å; F395-Y405 HydrophobicContact CZ-CD1 3.5Å; F395-Y405 HydrophobicContact CZ-CE1 4.13Å; F395-Y405 HydrophobicContact CZ-CG 4.1Å; Y396-Y405 CarbonylContact O-C 3.49Å; Y396-Y405 VanDerWaalsContact O-CA 3.32Å; Y396-Y405 WeakPolarHBondContact O-CA 3.46Å; R397-Y405 HydrophobicContact CB-CD1 3.86Å; R397-Y405 HydrophobicContact CB-CE1 3.63Å; R397-Y405 HydrophobicContact CG-CD1 4.12Å; R397-Y405 HydrophobicContact CG-CE1 3.54Å; G403-Y405 WeakPolarHBondContact O-CD2 3.37Å; Y405-I420 WeakPolarHBondContact O-CA 3.18Å; Y405-I420 WeakPolarHBondContact O-CG1 3.34Å; Y405-T421 HydrophobicContact CD2-CG2 4.09Å; Y405-T421 HydrophobicContact CG-CG2 4.37Å; Y405-T421 PolarHBondContact N-O 2.91Å; Y405-T421 PolarHBondContact O-N 3.4Å; Y405-R424 HydrophobicContact CE2-CG 4.39Å
406	L	96.3	Very high	90.4	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	146.9	168.6	-69.4	169.2	0	0	0	109.6	F395 Y396 V398 T418 V419 I420 L431	F395-L406 CarbonylContact C-O 3.57Å; F395-L406 WeakPolarHBondContact CA-O 3.43Å; Y396-L406 HydrophobicContact CD1-CD1 4.25Å; Y396-L406 PolarHBondContact N-O 3.06Å; Y396-L406 PolarHBondContact O-N 2.7Å; V398-L406 HydrophobicContact CG2-CG 4.43Å; L406-T418 HydrophobicContact CD2-CG2 4.13Å; L406-V419 WeakPolarHBondContact CA-O 3.21Å; L406-I420 HydrophobicContact CD2-CB 3.85Å; L406-I420 HydrophobicContact CD2-CD1 3.99Å; L406-I420 HydrophobicContact CD2-CG1 3.87Å; L406-L431 HydrophobicContact CD2-CD1 4.17Å; L406-L431 HydrophobicContact CD2-CD2 4.41Å
407	A	95.5	Very high	90.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	163.8	173.8	0	0	0	0	0	111.3	L381 F395 T418 V419 W428	L381-A407 HydrophobicContact CD2-CB 3.89Å; F395-A407 HydrophobicContact CD2-CB 4.08Å; A407-T418 WeakPolarHBondContact O-CA 3.47Å; A407-V419 HydrophobicContact CB-CG2 4.18Å; A407-V419 PolarHBondContact N-O 3.11Å; A407-V419 WeakPolarHBondContact O-CG2 3.1Å; A407-V419 PolarHBondContact O-N 2.98Å; A407-W428 HydrophobicContact CB-CE3 4.48Å; A407-W428 HydrophobicContact CB-CH2 3.76Å; A407-W428 HydrophobicContact CB-CZ3 3.65Å
408	T	94.1	Very high	90.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.9	172.2	-63.9	0	0	0	0	110.6	L385 D394 L416 Y417	L385-T408 HydrophobicContact CB-CG2 4.06Å; L385-T408 WeakPolarHBondContact CB-O 3.38Å; L385-T408 HydrophobicContact CD2-CG2 3.64Å; L385-T408 PolarHBondContact N-O 3.28Å; D394-T408 WeakPolarHBondContact CB-OG1 3.18Å; D394-T408 WeakPolarHBondContact OD2-CB 3.5Å; D394-T408 PolarHBondContact OD2-OG1 2.78Å; T408-L416 HydrophobicContact CG2-CB 3.96Å; T408-L416 HydrophobicContact CG2-CD2 4.05Å; T408-L416 HydrophobicContact CG2-CG 4.44Å; T408-Y417 CarbonylContact C-O 3.45Å; T408-Y417 WeakPolarHBondContact CA-O 3.5Å
409	R	91.7	Very high	90.3	Very high	28 Å²	28	30 Å²	30	11%	0.106	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.8	175.4	-178.2	175.5	-179.8	-156.5	-3.2	110.9	R382 H383 L416 Y417 D547 S549	R382-R409 WeakPolarHBondContact O-CD 3.39Å; R382-R409 WeakPolarHBondContact O-CG 3.39Å; R382-R409 PolarHBondContact O-NE 3.15Å; R382-R409 VanDerWaalsContact O-NE 3.09Å; H383-R409 HydrophobicContact CB-CG 4.28Å; H383-R409 CarbonylContact O-C 3.55Å; H383-R409 WeakPolarHBondContact O-CA 3.1Å; R409-L416 WeakPolarHBondContact O-CA 3.47Å; R409-Y417 PolarHBondContact N-O 2.58Å; R409-Y417 PolarHBondContact O-N 2.84Å; R409-D547 IonicContact CZ-OD2 2.74Å; R409-D547 IonicContact NH1-OD2 2.72Å; R409-D547 IonicContact NH2-OD2 2.59Å; R409-D547 PolarHBondContact NH2-OD2 3.09Å; R409-S549 PolarHBondContact NH1-OG 3.02Å
410	L	90.5	Very high	90.5	Very high	30 Å²	30	29.2 Å²	29.2	16%	0.157	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.5	169.4	-176.5	71.4	0	0	0	110.2	Y364 H383 R414 L416	Y364-L410 HydrophobicContact CD1-CD2 3.44Å; Y364-L410 VanDerWaalsContact CD1-CD2 3.44Å; Y364-L410 HydrophobicContact CE1-CD2 4.12Å; Y364-L410 HydrophobicContact CG-CD2 4.05Å; H383-L410 HydrophobicContact CB-CB 4.38Å; H383-L410 WeakPolarHBondContact CB-O 3.27Å; H383-L410 PolarHBondContact ND1-O 3.23Å; H383-L410 PolarHBondContact O-N 2.87Å; L410-R414 HydrophobicContact CD1-CB 4.48Å; L410-L416 HydrophobicContact CB-CD2 4.09Å; L410-L416 HydrophobicContact CD1-CD2 3.56Å; L410-L416 HydrophobicContact CD1-CG 4.39Å; L410-L416 HydrophobicContact CG-CD2 4.45Å
411	N	83.8	Confident	90.6	Very high	11 Å²	11	28.9 Å²	28.9	6%	0.059	14%	0.139	C	C	.	.			trans	-79	159.9	174.9	-90.3	7	0	0	0	111.9	D413 R414 T415 Y417	N411-D413 WeakPolarHBondContact CB-OD1 3.39Å; N411-D413 PolarHBondContact O-N 3.09Å; N411-R414 WeakPolarHBondContact O-CA 3.21Å; N411-R414 PolarHBondContact O-N 3.48Å; N411-T415 PolarHBondContact N-O 2.74Å; N411-Y417 HydrophobicContact CB-CD2 4Å; N411-Y417 HydrophobicContact CB-CE2 3.85Å; N411-Y417 VanDerWaalsContact ND2-CD2 3.34Å; N411-Y417 WeakPolarHBondContact ND2-CD2 3.38Å; N411-Y417 WeakPolarHBondContact ND2-CE2 3.16Å
412	P	80.6	Confident	90.7	Very high	105 Å²	105	29 Å²	29	68%	0.682	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.6	-176.5	-26.5	35.9	0	0	0	115.2	R414	P412-R414 PolarHBondContact O-N 3.18Å
413	D	84.1	Confident	90.8	Very high	66 Å²	66	28.3 Å²	28.3	35%	0.353	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	9.1	174.7	77.1	-27.6	0	0	0	113.8	N411 T415 K552	N411-D413 WeakPolarHBondContact CB-OD1 3.39Å; N411-D413 PolarHBondContact O-N 3.09Å; D413-T415 VanDerWaalsContact C-N 3.27Å; D413-T415 VanDerWaalsContact CG-OG1 3.24Å; D413-T415 PolarHBondContact O-N 2.68Å; D413-T415 WeakPolarHBondContact OD1-CB 3.07Å; D413-T415 PolarHBondContact OD1-N 3.22Å; D413-T415 PolarHBondContact OD1-OG1 2.72Å; D413-T415 WeakPolarHBondContact OD2-CG2 3.3Å; D413-T415 PolarHBondContact OD2-OG1 2.78Å; D413-T415 VanDerWaalsContact OD2-OG1 3.09Å; D413-K552 WeakPolarHBondContact OD2-CE 3.24Å; D413-K552 IonicContact OD2-NZ 2.61Å; D413-K552 PolarHBondContact OD2-NZ 2.86Å
414	R	85.4	Confident	90.9	Very high	216 Å²	216	28.4 Å²	28.4	82%	0.815	14%	0.139	S	C	*	.	S	Bend	trans	66.4	14.2	-176	-53.8	-178.6	173.7	-162.4	-4.9	115.7	L410 N411 P412	L410-R414 HydrophobicContact CD1-CB 4.48Å; N411-R414 WeakPolarHBondContact O-CA 3.21Å; N411-R414 PolarHBondContact O-N 3.48Å; P412-R414 PolarHBondContact O-N 3.18Å
415	T	90.1	Very high	90.7	Very high	29 Å²	29	28.5 Å²	28.5	18%	0.178	14%	0.14	C	C	.	.			trans	-86.8	148.2	171.4	62.6	0	0	0	0	111.8	N411 D413 Y417 H592	N411-T415 PolarHBondContact N-O 2.74Å; D413-T415 VanDerWaalsContact C-N 3.27Å; D413-T415 VanDerWaalsContact CG-OG1 3.24Å; D413-T415 PolarHBondContact O-N 2.68Å; D413-T415 WeakPolarHBondContact OD1-CB 3.07Å; D413-T415 PolarHBondContact OD1-N 3.22Å; D413-T415 PolarHBondContact OD1-OG1 2.72Å; D413-T415 WeakPolarHBondContact OD2-CG2 3.3Å; D413-T415 PolarHBondContact OD2-OG1 2.78Å; D413-T415 VanDerWaalsContact OD2-OG1 3.09Å; T415-Y417 WeakPolarHBondContact OG1-CE2 3.33Å; T415-H592 HydrophobicContact CG2-CB 4.37Å
416	L	91.6	Very high	90.1	Very high	26 Å²	26	29.5 Å²	29.5	14%	0.136	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.5	-175.4	-65.6	175.9	0	0	0	111.1	L385 T408 R409 L410 F562 H592 L593	L385-L416 HydrophobicContact CD1-CD2 4.01Å; L385-L416 HydrophobicContact CD2-CD1 4.07Å; L385-L416 HydrophobicContact CD2-CD2 4.06Å; L385-L416 HydrophobicContact CG-CD2 4.47Å; T408-L416 HydrophobicContact CG2-CB 3.96Å; T408-L416 HydrophobicContact CG2-CD2 4.05Å; T408-L416 HydrophobicContact CG2-CG 4.44Å; R409-L416 WeakPolarHBondContact O-CA 3.47Å; L410-L416 HydrophobicContact CB-CD2 4.09Å; L410-L416 HydrophobicContact CD1-CD2 3.56Å; L410-L416 HydrophobicContact CD1-CG 4.39Å; L410-L416 HydrophobicContact CG-CD2 4.45Å; L416-F562 HydrophobicContact CD1-CD1 4.01Å; L416-F562 HydrophobicContact CD1-CE1 3.37Å; L416-F562 HydrophobicContact CD1-CZ 4.02Å; L416-H592 CarbonylContact O-C 3.49Å; L416-H592 VanDerWaalsContact O-CA 3.25Å; L416-H592 WeakPolarHBondContact O-CA 3.44Å; L416-L593 HydrophobicContact CB-CB 3.96Å; L416-L593 HydrophobicContact CB-CD2 4.42Å; L416-L593 HydrophobicContact CD1-CD2 4.27Å; L416-L593 PolarHBondContact O-N 2.77Å
417	Y	90.4	Very high	89.4	Confident	14 Å²	14	31.1 Å²	31.1	6%	0.055	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.8	-179.9	-70	-90.6	0	0	0	111.7	T408 R409 N411 T415 T591	T408-Y417 CarbonylContact C-O 3.45Å; T408-Y417 WeakPolarHBondContact CA-O 3.5Å; R409-Y417 PolarHBondContact N-O 2.58Å; R409-Y417 PolarHBondContact O-N 2.84Å; N411-Y417 HydrophobicContact CB-CD2 4Å; N411-Y417 HydrophobicContact CB-CE2 3.85Å; N411-Y417 VanDerWaalsContact ND2-CD2 3.34Å; N411-Y417 WeakPolarHBondContact ND2-CD2 3.38Å; N411-Y417 WeakPolarHBondContact ND2-CE2 3.16Å; T415-Y417 WeakPolarHBondContact OG1-CE2 3.33Å; Y417-T591 WeakPolarHBondContact CE1-O 3.3Å; Y417-T591 PolarHBondContact OH-O 2.69Å
418	T	94.7	Very high	89.1	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134.8	167.1	-51.5	0	0	0	0	110.7	L406 A407 L431 I558	L406-T418 HydrophobicContact CD2-CG2 4.13Å; A407-T418 WeakPolarHBondContact O-CA 3.47Å; T418-L431 HydrophobicContact CG2-CD1 3.73Å; T418-L431 HydrophobicContact CG2-CG 4.43Å; T418-I558 HydrophobicContact CG2-CB 3.93Å; T418-I558 HydrophobicContact CG2-CG1 3.86Å; T418-I558 PolarHBondContact OG1-N 2.96Å
419	V	94	Very high	88.9	Confident	12 Å²	12	37.7 Å²	37.7	7%	0.073	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.6	170.7	-69.3	0	0	0	0	110.6	L381 L406 A407 W428 H429	L381-V419 HydrophobicContact CD1-CG2 4.3Å; L381-V419 HydrophobicContact CD2-CG2 3.78Å; L406-V419 WeakPolarHBondContact CA-O 3.21Å; A407-V419 HydrophobicContact CB-CG2 4.18Å; A407-V419 PolarHBondContact N-O 3.11Å; A407-V419 WeakPolarHBondContact O-CG2 3.1Å; A407-V419 PolarHBondContact O-N 2.98Å; V419-W428 HydrophobicContact CB-CB 4.43Å; V419-W428 HydrophobicContact CB-CE3 4.02Å; V419-W428 HydrophobicContact CG2-CD2 4.25Å; V419-W428 HydrophobicContact CG2-CE3 3.54Å; V419-W428 HydrophobicContact CG2-CZ3 4.09Å; V419-H429 CarbonylContact C-O 3.29Å; V419-H429 VanDerWaalsContact CA-O 3.26Å; V419-H429 WeakPolarHBondContact CA-O 3.15Å
420	I	95.1	Very high	88.9	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145	173.6	-165	167.9	0	0	0	110.1	T404 Y405 L406 W428 H429 L431	T404-I420 HydrophobicContact CG2-CD1 4.07Å; T404-I420 HydrophobicContact CG2-CG1 4.23Å; Y405-I420 WeakPolarHBondContact O-CA 3.18Å; Y405-I420 WeakPolarHBondContact O-CG1 3.34Å; L406-I420 HydrophobicContact CD2-CB 3.85Å; L406-I420 HydrophobicContact CD2-CD1 3.99Å; L406-I420 HydrophobicContact CD2-CG1 3.87Å; I420-W428 WeakPolarHBondContact O-CA 3.08Å; I420-H429 PolarHBondContact N-O 2.85Å; I420-H429 PolarHBondContact O-N 3.4Å; I420-L431 HydrophobicContact CB-CD2 3.82Å; I420-L431 HydrophobicContact CD1-CD2 4.18Å; I420-L431 HydrophobicContact CG2-CD2 3.67Å
421	T	92.9	Very high	89	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.7	162.5	175.1	0	0	0	0	108.8	T404 Y405 D423 G425 S427 W428	T404-T421 VanDerWaalsContact CA-O 3.26Å; T404-T421 WeakPolarHBondContact CA-O 3.32Å; T404-T421 WeakPolarHBondContact CG2-O 3.42Å; Y405-T421 HydrophobicContact CD2-CG2 4.09Å; Y405-T421 HydrophobicContact CG-CG2 4.37Å; Y405-T421 PolarHBondContact N-O 2.91Å; Y405-T421 PolarHBondContact O-N 3.4Å; T421-D423 PolarHBondContact OG1-N 3Å; T421-D423 VanDerWaalsContact OG1-N 3.16Å; T421-D423 PolarHBondContact OG1-OD1 3.18Å; T421-G425 WeakPolarHBondContact OG1-CA 3.18Å; T421-G425 PolarHBondContact OG1-N 2.86Å; T421-S427 WeakPolarHBondContact CB-O 3.45Å; T421-S427 PolarHBondContact OG1-O 3.39Å; T421-W428 HydrophobicContact CG2-CD2 4.06Å; T421-W428 HydrophobicContact CG2-CE3 3.9Å; T421-W428 HydrophobicContact CG2-CH2 3.49Å; T421-W428 VanDerWaalsContact CG2-CH2 3.49Å; T421-W428 HydrophobicContact CG2-CZ2 3.63Å; T421-W428 HydrophobicContact CG2-CZ3 3.63Å
422	H	91.5	Very high	89.3	Confident	14 Å²	14	40.1 Å²	40.1	7%	0.065	22%	0.218	C	C	.	.	S	Bend	trans	-113.2	-13.4	167.9	-63.5	98.8	0	0	0	111.9	G403 T404 G606 Y608 L869	G403-H422 CarbonylContact O-C 3.51Å; T404-H422 PolarHBondContact OG1-CD2 2.98Å; H422-G606 PolarHBondContact NE2-O 2.7Å; H422-Y608 WeakPolarHBondContact CB-OH 3.41Å; H422-Y608 AromaticContact CD2-CE2 3.97Å; H422-Y608 AromaticContact CD2-CZ 3.7Å; H422-Y608 AromaticContact CE1-CD1 3.6Å; H422-Y608 AromaticContact CE1-CE1 3.27Å; H422-Y608 WeakPolarHBondContact CE1-CE1 3.35Å; H422-Y608 AromaticContact CE1-CZ 3.56Å; H422-Y608 AromaticContact CG-CE1 3.89Å; H422-Y608 AromaticContact CG-CZ 3.54Å; H422-Y608 AromaticContact ND1-CE1 3.24Å; H422-Y608 WeakPolarHBondContact ND1-CE1 3.33Å; H422-Y608 AromaticContact ND1-CZ 3.44Å; H422-Y608 PolarHBondContact ND1-OH 3.36Å; H422-Y608 AromaticContact NE2-CE1 3.87Å; H422-Y608 AromaticContact NE2-CE2 3.89Å; H422-Y608 AromaticContact NE2-CZ 3.71Å; H422-L869 HydrophobicContact CB-CD1 4.21Å; H422-L869 WeakPolarHBondContact O-CD2 3.14Å
423	D	88	Confident	89.8	Confident	26 Å²	26	37.9 Å²	37.9	14%	0.139	20%	0.203	C	C	.	.	S	Bend	trans	-112.5	40.9	-170.8	63.4	-13	0	0	0	111.8	T421 G425 A426 S427	T421-D423 PolarHBondContact OG1-N 3Å; T421-D423 VanDerWaalsContact OG1-N 3.16Å; T421-D423 PolarHBondContact OG1-OD1 3.18Å; D423-G425 PolarHBondContact O-N 3.46Å; D423-A426 HydrophobicContact CB-CB 4.46Å; D423-A426 WeakPolarHBondContact O-CB 2.95Å; D423-A426 PolarHBondContact O-N 3.32Å; D423-A426 VanDerWaalsContact O-N 3.09Å; D423-S427 VanDerWaalsContact CG-N 3.3Å; D423-S427 VanDerWaalsContact CG-OG 3.23Å; D423-S427 PolarHBondContact OD1-N 3.24Å; D423-S427 PolarHBondContact OD1-OG 3.01Å; D423-S427 WeakPolarHBondContact OD2-CB 3.42Å; D423-S427 PolarHBondContact OD2-N 3.45Å; D423-S427 PolarHBondContact OD2-OG 2.86Å
424	R	89	Confident	90.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.008	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	37.5	-179	-70.8	-176.5	166.5	163.5	5.6	113.9	E348 D349 F353 I369 G403 Y405 A426 L870 I952 P953	E348-R424 VanDerWaalsContact CG-NH2 3.34Å; E348-R424 IonicContact OE1-NH2 3.67Å; E348-R424 IonicContact OE2-CZ 3.72Å; E348-R424 VanDerWaalsContact OE2-CZ 3.25Å; E348-R424 IonicContact OE2-NE 3.2Å; E348-R424 PolarHBondContact OE2-NE 3Å; E348-R424 IonicContact OE2-NH2 3.64Å; E348-R424 PolarHBondContact OE2-NH2 3.4Å; D349-R424 IonicContact OD2-CZ 3.66Å; D349-R424 IonicContact OD2-NH1 3.71Å; D349-R424 PolarHBondContact OD2-NH1 2.82Å; D349-R424 VanDerWaalsContact OD2-NH1 3.12Å; D349-R424 IonicContact OD2-NH2 3.41Å; D349-R424 PolarHBondContact OD2-NH2 2.9Å; F353-R424 WeakPolarHBondContact CZ-O 3.48Å; I369-R424 HydrophobicContact CD1-CB 4.13Å; I369-R424 VanDerWaalsContact CD1-O 3.22Å; I369-R424 WeakPolarHBondContact CD1-O 3.36Å; G403-R424 PolarHBondContact O-N 3.28Å; G403-R424 VanDerWaalsContact O-N 3.13Å; Y405-R424 HydrophobicContact CE2-CG 4.39Å; R424-A426 VanDerWaalsContact C-N 3.27Å; R424-A426 PolarHBondContact O-N 2.91Å; R424-L870 HydrophobicContact CG-CD1 4.01Å; R424-L870 HydrophobicContact CG-CD2 4.24Å; R424-I952 HydrophobicContact CB-CG2 4.13Å; R424-P953 PolarHBondContact NH1-O 3.06Å
425	G	88.6	Confident	90.6	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.021	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	11.6	176.8	0	0	0	0	0	114.4	S380 T421 D423 S427 W428	S380-G425 WeakPolarHBondContact OG-CA 3.25Å; S380-G425 PolarHBondContact OG-O 2.82Å; T421-G425 WeakPolarHBondContact OG1-CA 3.18Å; T421-G425 PolarHBondContact OG1-N 2.86Å; D423-G425 PolarHBondContact O-N 3.46Å; G425-S427 PolarHBondContact O-N 3.19Å; G425-W428 PolarHBondContact O-NE1 2.98Å
426	A	83.9	Confident	90.7	Very high	22 Å²	22	31.5 Å²	31.5	18%	0.182	18%	0.183	C	C	.	.	S	Bend	trans	-69.9	-19	168.7	0	0	0	0	0	112.3	D423 R424 E908 R915 I952	D423-A426 HydrophobicContact CB-CB 4.46Å; D423-A426 WeakPolarHBondContact O-CB 2.95Å; D423-A426 PolarHBondContact O-N 3.32Å; D423-A426 VanDerWaalsContact O-N 3.09Å; R424-A426 VanDerWaalsContact C-N 3.27Å; R424-A426 PolarHBondContact O-N 2.91Å; A426-E908 HydrophobicContact CB-CB 4.13Å; A426-R915 PolarHBondContact O-NH1 3.4Å; A426-R915 VanDerWaalsContact O-NH1 3.08Å; A426-I952 HydrophobicContact CB-CD1 3.62Å; A426-I952 HydrophobicContact CB-CG1 4.16Å
427	S	82.7	Confident	90.6	Very high	38 Å²	38	31.8 Å²	31.8	27%	0.266	19%	0.185	S	C	.	.	S	Bend	trans	-148.6	145.3	163.1	66.2	0	0	0	0	112.4	T421 D423 G425 H429	T421-S427 WeakPolarHBondContact CB-O 3.45Å; T421-S427 PolarHBondContact OG1-O 3.39Å; D423-S427 VanDerWaalsContact CG-N 3.3Å; D423-S427 VanDerWaalsContact CG-OG 3.23Å; D423-S427 PolarHBondContact OD1-N 3.24Å; D423-S427 PolarHBondContact OD1-OG 3.01Å; D423-S427 WeakPolarHBondContact OD2-CB 3.42Å; D423-S427 PolarHBondContact OD2-N 3.45Å; D423-S427 PolarHBondContact OD2-OG 2.86Å; G425-S427 PolarHBondContact O-N 3.19Å; S427-H429 PolarHBondContact OG-CE1 3.4Å; S427-H429 VanDerWaalsContact OG-CE1 3.28Å
428	W	88.8	Confident	90.1	Very high	39 Å²	39	34.9 Å²	34.9	15%	0.148	20%	0.201	C	C	.	.			trans	-125.1	133.2	-179.4	-70.7	91.8	0	0	0	110.6	L367 S380 L381 F395 A407 V419 I420 T421 G425	L367-W428 HydrophobicContact CD2-CH2 4.45Å; L367-W428 HydrophobicContact CD2-CZ2 3.77Å; S380-W428 PolarHBondContact O-NE1 2.68Å; S380-W428 PolarHBondContact OG-NE1 2.91Å; L381-W428 HydrophobicContact CB-CG 4.5Å; L381-W428 HydrophobicContact CD1-CB 4.15Å; L381-W428 HydrophobicContact CD1-CD2 4.39Å; L381-W428 HydrophobicContact CD1-CG 3.97Å; L381-W428 HydrophobicContact CD2-CD2 4.14Å; L381-W428 HydrophobicContact CD2-CE3 4.36Å; L381-W428 HydrophobicContact CD2-CZ2 4.43Å; F395-W428 HydrophobicContact CE2-CH2 4.01Å; F395-W428 HydrophobicContact CE2-CZ2 4.38Å; A407-W428 HydrophobicContact CB-CE3 4.48Å; A407-W428 HydrophobicContact CB-CH2 3.76Å; A407-W428 HydrophobicContact CB-CZ3 3.65Å; V419-W428 HydrophobicContact CB-CB 4.43Å; V419-W428 HydrophobicContact CB-CE3 4.02Å; V419-W428 HydrophobicContact CG2-CD2 4.25Å; V419-W428 HydrophobicContact CG2-CE3 3.54Å; V419-W428 HydrophobicContact CG2-CZ3 4.09Å; I420-W428 WeakPolarHBondContact O-CA 3.08Å; T421-W428 HydrophobicContact CG2-CD2 4.06Å; T421-W428 HydrophobicContact CG2-CE3 3.9Å; T421-W428 HydrophobicContact CG2-CH2 3.49Å; T421-W428 VanDerWaalsContact CG2-CH2 3.49Å; T421-W428 HydrophobicContact CG2-CZ2 3.63Å; T421-W428 HydrophobicContact CG2-CZ3 3.63Å; G425-W428 PolarHBondContact O-NE1 2.98Å
429	H	89	Confident	89.4	Confident	103 Å²	103	40.5 Å²	40.5	48%	0.477	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143	-173.7	-61.5	91	0	0	0	111.1	V419 I420 S427	V419-H429 CarbonylContact C-O 3.29Å; V419-H429 VanDerWaalsContact CA-O 3.26Å; V419-H429 WeakPolarHBondContact CA-O 3.15Å; I420-H429 PolarHBondContact N-O 2.85Å; I420-H429 PolarHBondContact O-N 3.4Å; S427-H429 PolarHBondContact OG-CE1 3.4Å; S427-H429 VanDerWaalsContact OG-CE1 3.28Å
430	P	91.1	Very high	88.7	Confident	72 Å²	72	44.3 Å²	44.3	47%	0.468	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	146.4	170.9	30.8	-34.5	0	0	0	110.7
431	L	93.3	Very high	88	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	26%	0.263	C	S	.	.			trans	-72	131.7	175.9	-65.5	175	0	0	0	111.4	L406 T418 I420 G555 L556 I558	L406-L431 HydrophobicContact CD2-CD1 4.17Å; L406-L431 HydrophobicContact CD2-CD2 4.41Å; T418-L431 HydrophobicContact CG2-CD1 3.73Å; T418-L431 HydrophobicContact CG2-CG 4.43Å; I420-L431 HydrophobicContact CB-CD2 3.82Å; I420-L431 HydrophobicContact CD1-CD2 4.18Å; I420-L431 HydrophobicContact CG2-CD2 3.67Å; L431-G555 WeakPolarHBondContact O-CA 3.14Å; L431-L556 HydrophobicContact CB-CB 4.09Å; L431-L556 WeakPolarHBondContact CB-O 3.2Å; L431-L556 HydrophobicContact CD1-CB 4.48Å; L431-L556 HydrophobicContact CD1-CG 4.4Å; L431-L556 PolarHBondContact O-N 2.94Å; L431-I558 HydrophobicContact CD1-CD1 4.17Å; L431-I558 HydrophobicContact CD1-CG1 3.6Å
432	G	89.8	Confident	86.7	Confident	44 Å²	44	52.1 Å²	52.1	45%	0.454	29%	0.294	S	S	.	.			trans	-70.3	-176.5	179.9	0	0	0	0	0	114.8	L556	G432-L556 PolarHBondContact O-N 3.45Å
433	T	92.6	Very high	84.7	Confident	58 Å²	58	56.9 Å²	56.9	36%	0.356	33%	0.328	S	S	.	.			trans	-78.8	131.2	173.6	44.8	0	0	0	0	111.4	C441 C554	T433-C441 HydrophobicContact CG2-CB 4.02Å; T433-C441 WeakPolarHBondContact CG2-SG 3.48Å; T433-C554 WeakPolarHBondContact CG2-O 3.19Å
434	P	94.9	Very high	82.1	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.362	C	S	.	.			trans	-66.2	150.5	179.6	-22.9	34.6	0	0	0	114	N436 V437 Q438 L556 V589 F601 W610	P434-N436 PolarHBondContact O-N 3.3Å; P434-V437 HydrophobicContact CB-CG2 3.69Å; P434-V437 HydrophobicContact CG-CG2 4.06Å; P434-V437 PolarHBondContact O-N 3.41Å; P434-Q438 PolarHBondContact O-OE1 3.45Å; P434-L556 HydrophobicContact CG-CB 4.16Å; P434-L556 HydrophobicContact CG-CD2 4.27Å; P434-V589 HydrophobicContact CG-CG2 4.12Å; P434-F601 HydrophobicContact CB-CD1 4.11Å; P434-F601 HydrophobicContact CB-CE1 4.19Å; P434-F601 HydrophobicContact CG-CD1 3.73Å; P434-F601 HydrophobicContact CG-CE1 3.69Å; P434-W610 CarbonylContact C-O 3.52Å; P434-W610 VanDerWaalsContact CA-O 3.23Å; P434-W610 WeakPolarHBondContact CA-O 3.4Å; P434-W610 HydrophobicContact CB-CB 4.04Å; P434-W610 VanDerWaalsContact CB-O 3.31Å; P434-W610 WeakPolarHBondContact CB-O 3.4Å; P434-W610 HydrophobicContact CG-CB 4.1Å
435	I	90.7	Very high	79.5	Confident	97 Å²	97	70.3 Å²	70.3	50%	0.497	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.5	-164.2	-70.4	172.5	0	0	0	115.1	Q438 T609 W610	I435-Q438 VanDerWaalsContact C-CD 3.49Å; I435-Q438 VanDerWaalsContact C-NE2 3.27Å; I435-Q438 VanDerWaalsContact O-CD 3.29Å; I435-Q438 PolarHBondContact O-NE2 2.92Å; I435-Q438 PolarHBondContact O-OE1 2.9Å; I435-T609 HydrophobicContact CD1-CG2 4.1Å; I435-W610 PolarHBondContact N-O 2.62Å
436	N	91.6	Very high	76.8	Confident	80 Å²	80	75 Å²	75	43%	0.428	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	10.7	-178.3	63.2	-24.2	0	0	0	114.6	P434 L611 K612	P434-N436 PolarHBondContact O-N 3.3Å; N436-L611 HydrophobicContact CB-CD1 3.89Å; N436-L611 VanDerWaalsContact CG-CD1 3.48Å; N436-K612 PolarHBondContact ND2-O 3.41Å; N436-K612 PolarHBondContact OD1-N 3.46Å
437	V	90.1	Very high	74.3	Confident	31 Å²	31	80 Å²	80	19%	0.188	46%	0.464	C	S	.	.			trans	-145.2	20.4	-174.8	-72.3	0	0	0	0	113.7	P434 D439 T440 V589 F601 K612	P434-V437 HydrophobicContact CB-CG2 3.69Å; P434-V437 HydrophobicContact CG-CG2 4.06Å; P434-V437 PolarHBondContact O-N 3.41Å; V437-D439 VanDerWaalsContact C-N 3.26Å; V437-D439 PolarHBondContact O-N 2.87Å; V437-T440 WeakPolarHBondContact O-CB 3.41Å; V437-T440 PolarHBondContact O-N 3.44Å; V437-T440 PolarHBondContact O-OG1 3.39Å; V437-V589 HydrophobicContact CG2-CG2 3.81Å; V437-F601 HydrophobicContact CG2-CE1 4.47Å; V437-K612 HydrophobicContact CG1-CB 4.2Å; V437-K612 HydrophobicContact CG1-CD 4.2Å; V437-K612 HydrophobicContact CG2-CB 4.45Å
438	Q	79.7	Confident	71.9	Confident	80 Å²	80	82.9 Å²	82.9	37%	0.374	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-55.8	-37.9	-176.2	-60.2	90	-37.1	0	0	113.2	P434 I435 T440 C441	P434-Q438 PolarHBondContact O-OE1 3.45Å; I435-Q438 VanDerWaalsContact C-CD 3.49Å; I435-Q438 VanDerWaalsContact C-NE2 3.27Å; I435-Q438 VanDerWaalsContact O-CD 3.29Å; I435-Q438 PolarHBondContact O-NE2 2.92Å; I435-Q438 PolarHBondContact O-OE1 2.9Å; Q438-T440 PolarHBondContact O-N 3.41Å; Q438-T440 VanDerWaalsContact O-N 3.11Å; Q438-C441 PolarHBondContact O-N 3.25Å; Q438-C441 VanDerWaalsContact O-N 3.15Å
439	D	79	Confident	69.1	Low	121 Å²	121	87.1 Å²	87.1	65%	0.647	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-59.9	-22.2	179.5	-64.5	-19	0	0	0	113.4	V437 C441 Q442	V437-D439 VanDerWaalsContact C-N 3.26Å; V437-D439 PolarHBondContact O-N 2.87Å; D439-C441 PolarHBondContact O-N 2.97Å; D439-C441 VanDerWaalsContact O-N 3.16Å; D439-Q442 WeakPolarHBondContact O-CB 3.33Å; D439-Q442 PolarHBondContact O-N 3.26Å; D439-Q442 PolarHBondContact OD1-NE2 3.04Å
440	T	81.2	Confident	66.5	Low	91 Å²	91	87.6 Å²	87.6	56%	0.558	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-57.7	-28.8	176.3	-47.9	0	0	0	0	112.8	V437 Q438 V589	V437-T440 WeakPolarHBondContact O-CB 3.41Å; V437-T440 PolarHBondContact O-N 3.44Å; V437-T440 PolarHBondContact O-OG1 3.39Å; Q438-T440 PolarHBondContact O-N 3.41Å; Q438-T440 VanDerWaalsContact O-N 3.11Å; T440-V589 HydrophobicContact CG2-CB 4.07Å; T440-V589 HydrophobicContact CG2-CG1 3.99Å
441	C	78.5	Confident	63.7	Low	34 Å²	34	89.6 Å²	89.6	23%	0.23	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-92	-7.8	176.9	-72.6	0	0	0	0	113.7	T433 Q438 D439 S443 C554 V589	T433-C441 HydrophobicContact CG2-CB 4.02Å; T433-C441 WeakPolarHBondContact CG2-SG 3.48Å; Q438-C441 PolarHBondContact O-N 3.25Å; Q438-C441 VanDerWaalsContact O-N 3.15Å; D439-C441 PolarHBondContact O-N 2.97Å; D439-C441 VanDerWaalsContact O-N 3.16Å; C441-S443 PolarHBondContact O-N 2.92Å; C441-S443 VanDerWaalsContact O-N 3.1Å; C441-C554 VanDerWaalsContact CA-SG 3.52Å; C441-C554 HydrophobicContact CB-CB 3.59Å; C441-C554 WeakPolarHBondContact CB-SG 3.41Å; C441-C554 WeakPolarHBondContact SG-CB 3.26Å; C441-C554 CovalentContact SG-SG 2.03Å; C441-C554 PolarHBondContact SG-SG 2.7Å; C441-V589 WeakPolarHBondContact SG-CG1 3.1Å
442	Q	65.9	Low	61	Low	137 Å²	137	94.6 Å²	94.6	64%	0.64	58%	0.576	S	S	*	*			trans	-84.1	83	179.2	-64.1	-167.9	49.9	0	0	110.8	D439 K444	D439-Q442 WeakPolarHBondContact O-CB 3.33Å; D439-Q442 PolarHBondContact O-N 3.26Å; D439-Q442 PolarHBondContact OD1-NE2 3.04Å; Q442-K444 PolarHBondContact O-N 3.3Å
443	S	50.4	Low	58.2	Low	114 Å²	114	98.8 Å²	98.8	80%	0.797	59%	0.593	S	S	*	*			trans	-63.4	98.5	165.5	60.3	0	0	0	0	109.4	C441 P445	C441-S443 PolarHBondContact O-N 2.92Å; C441-S443 VanDerWaalsContact O-N 3.1Å; S443-P445 VanDerWaalsContact O-N 3.15Å
444	K	34.3	Very low	55.5	Low	196 Å²	196	102.2 Å²	102.2	85%	0.852	61%	0.614	S	S	*	*			trans	-46	122	171.2	-128.1	176.4	-172.9	172.7	0	108.2	Q442 A446	Q442-K444 PolarHBondContact O-N 3.3Å; K444-A446 PolarHBondContact O-N 3.21Å
445	P	33.1	Very low	52.4	Low	114 Å²	114	107.7 Å²	107.7	74%	0.74	65%	0.647	S	S	*	*			trans	-60.3	120.5	-175.4	23.6	-33	0	0	0	108.5	S443 T447	S443-P445 VanDerWaalsContact O-N 3.15Å; P445-T447 PolarHBondContact O-N 2.91Å
446	A	31.8	Very low	49.5	Very low	99 Å²	99	108.3 Å²	108.3	82%	0.818	66%	0.656	S	S	*	*			trans	-62.3	109.5	179.5	0	0	0	0	0	108	K444 S448	K444-A446 PolarHBondContact O-N 3.21Å; A446-S448 PolarHBondContact O-N 2.91Å
447	T	31.8	Very low	46.8	Very low	127 Å²	127	110 Å²	110	78%	0.779	67%	0.669	S	S	*	*			trans	-59.9	104.7	-178.9	43.8	0	0	0	0	109.2	P445 T449	P445-T447 PolarHBondContact O-N 2.91Å; T447-T449 PolarHBondContact O-N 2.73Å; T447-T449 PolarHBondContact O-OG1 2.91Å
448	S	32.3	Very low	44.1	Very low	99 Å²	99	114.1 Å²	114.1	69%	0.692	69%	0.694	S	S	*	*			trans	-64.9	99.8	170.8	53.8	0	0	0	0	108.1	A446 T450	A446-S448 PolarHBondContact O-N 2.91Å; S448-T450 PolarHBondContact O-N 3.28Å; S448-T450 PolarHBondContact O-OG1 3.33Å
449	T	29.7	Very low	42	Very low	129 Å²	129	115.5 Å²	115.5	79%	0.791	71%	0.709	S	S	*	*			trans	-71.7	67.6	177.4	-48	0	0	0	0	110.3	T447 S451	T447-T449 PolarHBondContact O-N 2.73Å; T447-T449 PolarHBondContact O-OG1 2.91Å; T449-S451 PolarHBondContact O-N 2.83Å
450	T	35.7	Very low	39.8	Very low	112 Å²	112	117.2 Å²	117.2	69%	0.687	72%	0.718	S	S	*	*			trans	-74.2	95.8	176.7	-49.4	0	0	0	0	108.2	S448 S452	S448-T450 PolarHBondContact O-N 3.28Å; S448-T450 PolarHBondContact O-OG1 3.33Å; T450-S452 PolarHBondContact O-N 2.85Å
451	S	31	Very low	37.6	Very low	115 Å²	115	117.9 Å²	117.9	80%	0.804	73%	0.733	S	S	*	*			trans	-70.7	93.7	-176.7	56.5	0	0	0	0	111.8	T449	T449-S451 PolarHBondContact O-N 2.83Å
452	S	36.9	Very low	35.4	Very low	109 Å²	109	123.2 Å²	123.2	76%	0.762	77%	0.765	S	S	*	*			trans	-114	93.7	169.2	59.4	0	0	0	0	110.7	T450 T454	T450-S452 PolarHBondContact O-N 2.85Å; S452-T454 PolarHBondContact O-N 3.01Å
453	T	32.1	Very low	33.9	Very low	132 Å²	132	121.6 Å²	121.6	81%	0.81	78%	0.775	S	S	*	*			trans	-68.2	121.3	174	40.5	0	0	0	0	112.2
454	T	34.5	Very low	33	Very low	129 Å²	129	125.7 Å²	125.7	79%	0.791	78%	0.781	S	S	*	*			trans	-163.8	120.4	130.3	10.5	0	0	0	0	112.4	S452	S452-T454 PolarHBondContact O-N 3.01Å
455	T	29.3	Very low	32.7	Very low	115 Å²	115	120.9 Å²	120.9	71%	0.706	78%	0.778	S	S	*	*			trans	-5.6	145.1	136.7	50.4	0	0	0	0	117.5
456	T	30.9	Very low	32.6	Very low	110 Å²	110	123.7 Å²	123.7	68%	0.675	79%	0.785	S	S	*	*			cis	-170.9	157.1	19.3	3.4	0	0	0	0	113.3
457	T	33.9	Very low	32.4	Very low	116 Å²	116	126.3 Å²	126.3	71%	0.712	78%	0.784	S	S	*	*			trans	58.9	141.7	145.4	58.3	0	0	0	0	121.4
458	T	33.2	Very low	32.2	Very low	117 Å²	117	125.7 Å²	125.7	72%	0.718	78%	0.78	S	S	*	*			cis	-168.2	174.9	-6.9	18.2	0	0	0	0	110.9
459	T	36.9	Very low	31.9	Very low	110 Å²	110	130 Å²	130	68%	0.675	79%	0.789	S	S	*	*			trans	69.2	95.1	154.5	46	0	0	0	0	120.2
460	D	31.5	Very low	31.9	Very low	156 Å²	156	129.4 Å²	129.4	83%	0.834	79%	0.785	S	S	*	*				44.9	121.9	109.1	-41.7	-25.4	0	0	0	121.1
461	A	36.4	Very low	31.4	Very low	106 Å²	106	130.2 Å²	130.2	88%	0.876	79%	0.79	S	S	*	*				-165.1	152.3	119.6	0	0	0	0	0	111.5
462	T	32.3	Very low	31.3	Very low	146 Å²	146	131 Å²	131	90%	0.896	79%	0.79	S	S	*	*			trans	-96.7	141	-178.1	46.5	0	0	0	0	113.4
463	A	34.5	Very low	30.8	Very low	103 Å²	103	131.1 Å²	131.1	85%	0.851	79%	0.791	S	S	*	*			trans	-159.8	135.1	154.3	0	0	0	0	0	110.7
464	E	29.8	Very low	30.5	Very low	200 Å²	200	127.1 Å²	127.1	94%	0.935	78%	0.776	S	S	*	*			trans	-85.8	140.9	171.5	-62.2	172.6	125.6	0	0	110.2
465	A	30	Very low	30.2	Very low	95 Å²	95	126.3 Å²	126.3	79%	0.785	78%	0.782	S	S	*	*			trans	-146.5	120.2	170.8	0	0	0	0	0	110.8
466	I	28.9	Very low	30.1	Very low	173 Å²	173	125.4 Å²	125.4	89%	0.887	78%	0.781	S	S	*	*			trans	-81.1	119.5	-178.7	-60.5	163.2	0	0	0	109.3
467	I	28.4	Very low	30	Very low	154 Å²	154	128.8 Å²	128.8	79%	0.79	79%	0.791	S	S	*	*			trans	-132.9	122.5	162.2	-59.1	-176.5	0	0	0	109.4
468	T	27.1	Very low	29.7	Very low	114 Å²	114	127.8 Å²	127.8	70%	0.699	79%	0.788	S	S	*	*			trans	-37.5	124.7	178.6	47.1	0	0	0	0	116.2
469	E	27.1	Very low	29.4	Very low	188 Å²	188	127.8 Å²	127.8	88%	0.879	79%	0.789	S	S	*	*			trans	-64.7	131.7	158.8	-65.4	-174.1	148.4	0	0	109.9
470	T	29.1	Very low	28.9	Very low	117 Å²	117	129.4 Å²	129.4	72%	0.718	80%	0.798	S	S	*	*			trans	-115.5	108.6	170.1	-47.5	0	0	0	0	107.7	V472	T470-V472 PolarHBondContact O-N 3.04Å
471	T	26.2	Very low	28.6	Very low	129 Å²	129	130.6 Å²	130.6	79%	0.791	80%	0.796	S	S	*	*			trans	-74	107.9	-175.7	36.7	0	0	0	0	111.5
472	V	28.6	Very low	28.2	Very low	132 Å²	132	129.6 Å²	129.6	80%	0.8	79%	0.788	S	S	*	*			trans	-107.2	79.4	172	-173.8	0	0	0	0	109.6	T470 G474	T470-V472 PolarHBondContact O-N 3.04Å; V472-G474 PolarHBondContact O-N 3.25Å
473	S	25.9	Very low	27.9	Very low	112 Å²	112	129.4 Å²	129.4	78%	0.783	78%	0.781	S	S	*	*			trans	-76.1	96.4	163.8	51.1	0	0	0	0	108.7
474	G	26.5	Very low	27.8	Very low	48 Å²	48	130.4 Å²	130.4	50%	0.495	78%	0.777	S	S	.	*			trans	-163.5	56.1	-170.6	0	0	0	0	0	114	V472 S476	V472-G474 PolarHBondContact O-N 3.25Å; G474-S476 PolarHBondContact O-N 3.14Å
475	A	27.3	Very low	27.8	Very low	112 Å²	112	127.4 Å²	127.4	93%	0.926	77%	0.767	S	S	*	*			trans	-75	54.5	176.8	0	0	0	0	0	112.6
476	S	27.1	Very low	28.1	Very low	96 Å²	96	130.3 Å²	130.3	67%	0.671	77%	0.769	S	S	*	*			trans	-61.4	135.9	163.3	65.1	0	0	0	0	109.1	G474 S478	G474-S476 PolarHBondContact O-N 3.14Å; S476-S478 PolarHBondContact O-N 3.18Å
477	M	29.3	Very low	28.3	Very low	181 Å²	181	129.5 Å²	129.5	89%	0.892	77%	0.767	S	S	*	*			trans	-76.2	79.8	177.3	-168.3	168.2	-176.7	0	0	109
478	S	27.1	Very low	28.8	Very low	94 Å²	94	130.3 Å²	130.3	66%	0.657	77%	0.773	S	S	*	*			trans	-62.5	138.9	-176.4	60.4	0	0	0	0	111.2	S476 V480	S476-S478 PolarHBondContact O-N 3.18Å; S478-V480 PolarHBondContact O-N 2.88Å
479	T	26.6	Very low	29	Very low	118 Å²	118	131.1 Å²	131.1	72%	0.724	78%	0.778	S	S	*	*			trans	-56.5	122.7	179.8	52.5	0	0	0	0	110.4	K481	T479-K481 VanDerWaalsContact C-N 3.31Å; T479-K481 PolarHBondContact O-N 2.9Å
480	V	26.3	Very low	29.4	Very low	144 Å²	144	129.9 Å²	129.9	87%	0.873	77%	0.774	S	S	*	*			trans	-66.4	92.4	170	-179.5	0	0	0	0	108.3	S478 A482	S478-V480 PolarHBondContact O-N 2.88Å; V480-A482 PolarHBondContact O-N 2.79Å
481	K	25.4	Very low	29.7	Very low	181 Å²	181	129.7 Å²	129.7	79%	0.787	77%	0.769	S	S	*	*			trans	-62.6	120.2	168.4	-79.2	-174.3	173.9	-179.9	0	108.1	T479 N483	T479-K481 VanDerWaalsContact C-N 3.31Å; T479-K481 PolarHBondContact O-N 2.9Å; K481-N483 PolarHBondContact O-N 3.13Å
482	A	28.3	Very low	30.1	Very low	85 Å²	85	130.4 Å²	130.4	70%	0.702	77%	0.767	S	S	*	*			trans	-57.1	126.3	173.9	0	0	0	0	0	109.6	V480 T484	V480-A482 PolarHBondContact O-N 2.79Å; A482-T484 PolarHBondContact O-N 3.24Å
483	N	27	Very low	30.4	Very low	142 Å²	142	128.9 Å²	128.9	76%	0.759	77%	0.769	S	S	*	*			trans	-84.4	82.9	-166.8	-162	19.1	0	0	0	111.3	K481 N485	K481-N483 PolarHBondContact O-N 3.13Å; N483-N485 PolarHBondContact O-N 2.78Å
484	T	31.4	Very low	30.8	Very low	123 Å²	123	127.4 Å²	127.4	76%	0.755	77%	0.772	S	S	*	*			trans	-73.4	88.6	176.2	50.7	0	0	0	0	111.1	A482 N486	A482-T484 PolarHBondContact O-N 3.24Å; T484-N486 PolarHBondContact O-N 2.59Å; T484-N486 VanDerWaalsContact O-N 3.1Å
485	N	31	Very low	31.2	Very low	137 Å²	137	129.6 Å²	129.6	73%	0.733	78%	0.779	S	S	*	*			trans	-59.6	109.3	167.4	-76	-27.1	0	0	0	110.4	N483	N483-N485 PolarHBondContact O-N 2.78Å
486	N	35.3	Very low	31.6	Very low	156 Å²	156	131.9 Å²	131.9	83%	0.834	77%	0.771	S	S	*	*			trans	-143.2	89.3	164.1	-102.9	-25.5	0	0	0	109.5	T484 N488	T484-N486 PolarHBondContact O-N 2.59Å; T484-N486 VanDerWaalsContact O-N 3.1Å; N486-N488 PolarHBondContact O-N 2.59Å
487	N	33.4	Very low	32.1	Very low	157 Å²	157	134 Å²	134	84%	0.84	77%	0.774	S	S	*	*			trans	-74.2	118.2	165	-72.9	-19.7	0	0	0	108.7
488	N	39.3	Very low	32.5	Very low	171 Å²	171	132.3 Å²	132.3	91%	0.914	77%	0.768	S	S	*	*			trans	-166.2	116.9	142.7	-94.5	-29.5	0	0	0	109.8	N486	N486-N488 PolarHBondContact O-N 2.59Å
489	T	31.1	Very low	32.8	Very low	131 Å²	131	134.6 Å²	134.6	80%	0.804	77%	0.773	S	S	*	*			trans	-90.2	134.8	177	47.5	0	0	0	0	111.1
490	M	34.7	Very low	33.2	Very low	161 Å²	161	136.1 Å²	136.1	79%	0.793	78%	0.776	S	S	*	*				-180	138.2	116.3	-99	174.2	135	0	0	114.2
491	D	35.2	Very low	33.5	Very low	114 Å²	114	134.6 Å²	134.6	61%	0.61	77%	0.767	S	S	*	*			trans	66.6	99.4	137.6	-58.6	-0.4	0	0	0	123.5
492	N	35	Very low	33.8	Very low	143 Å²	143	132.8 Å²	132.8	77%	0.765	76%	0.764	S	S	*	*				77.7	109.1	114.4	-62.2	-38.8	0	0	0	123.5
493	A	35.8	Very low	33.9	Very low	101 Å²	101	133.1 Å²	133.1	84%	0.835	76%	0.761	S	S	*	*				93.9	119.7	113.6	0	0	0	0	0	122.9
494	G	33	Very low	34	Very low	81 Å²	81	132.3 Å²	132.3	84%	0.835	76%	0.762	S	S	*	*			trans	80.7	157.1	150.4	0	0	0	0	0	117.7
495	S	34.9	Very low	34.2	Very low	94 Å²	94	130.9 Å²	130.9	66%	0.657	76%	0.757	S	S	*	*			cis	-161.1	156.3	-23	-147.2	0	0	0	0	109.9
496	E	36.9	Very low	34.3	Very low	160 Å²	160	131.1 Å²	131.1	75%	0.748	76%	0.758	S	S	*	*			trans	42.3	114.8	146.9	-70.3	152.8	143.8	0	0	121.2
497	D	37.5	Very low	34.2	Very low	140 Å²	140	130.6 Å²	130.6	75%	0.749	76%	0.755	S	S	*	*				119.2	142.4	103.8	-96.7	12	0	0	0	124.2
498	I	37.7	Very low	34	Very low	146 Å²	146	127.8 Å²	127.8	75%	0.749	75%	0.748	S	S	*	*			trans	84.4	143.8	148.9	-70.8	160.9	0	0	0	119.8
499	N	33.2	Very low	33.7	Very low	142 Å²	142	127.7 Å²	127.7	76%	0.759	75%	0.747	S	S	*	*			trans	-94.5	-164.5	-168.7	-53.2	-67.7	0	0	0	113.3
500	D	34.4	Very low	33.6	Very low	149 Å²	149	127.3 Å²	127.3	80%	0.797	75%	0.745	S	S	*	*			trans	96.6	143.4	157.7	-71.3	6.3	0	0	0	118.4
501	V	33	Very low	33.5	Very low	113 Å²	113	124.3 Å²	124.3	69%	0.685	74%	0.74	S	S	*	*			cis	-166.7	161.8	-26.9	86.3	0	0	0	0	110.2
502	I	32	Very low	33.2	Very low	142 Å²	142	124.7 Å²	124.7	73%	0.728	75%	0.746	S	S	*	*			trans	62.9	99.3	159.3	-68.5	172.6	0	0	0	119.9
503	S	29.9	Very low	33.2	Very low	92 Å²	92	123 Å²	123	64%	0.643	74%	0.741	S	S	*	*				64.4	155.3	119.4	90.6	0	0	0	0	126.7
504	T	29.6	Very low	33.2	Very low	125 Å²	125	125.1 Å²	125.1	77%	0.767	74%	0.738	S	S	*	*			trans	85	140.7	141.7	36.9	0	0	0	0	123.6
505	S	35.4	Very low	33.2	Very low	94 Å²	94	126 Å²	126	66%	0.657	73%	0.732	S	S	*	*			trans	73.4	98.2	152	53.6	0	0	0	0	121.8
506	D	32.4	Very low	33.2	Very low	142 Å²	142	126.8 Å²	126.8	76%	0.759	74%	0.735	S	S	*	*				78.4	147.9	109.8	-55	-16.6	0	0	0	124.2
507	N	34.5	Very low	32.9	Very low	144 Å²	144	124 Å²	124	77%	0.77	73%	0.733	S	S	*	*			trans	72.3	98	152.1	-63.7	-32.4	0	0	0	120.2
508	S	28.4	Very low	32.8	Very low	99 Å²	99	127.1 Å²	127.1	69%	0.692	74%	0.74	S	S	*	*			trans	0.3	140.3	131.9	60.9	0	0	0	0	119.2
509	L	33.5	Very low	32.5	Very low	168 Å²	168	126.8 Å²	126.8	88%	0.88	74%	0.739	S	S	*	*				-150.4	152.6	115.3	-136.7	75.1	0	0	0	112.7
510	T	28.3	Very low	32.3	Very low	124 Å²	124	125.6 Å²	125.6	76%	0.761	74%	0.739	S	S	*	*			trans	-84.2	150.4	175.3	52.3	0	0	0	0	112.4
511	S	32.5	Very low	32.1	Very low	98 Å²	98	124.4 Å²	124.4	69%	0.685	74%	0.737	S	S	*	*				174.8	129.2	125.1	59.8	0	0	0	0	114.6
512	T	30.6	Very low	31.8	Very low	121 Å²	121	127.2 Å²	127.2	74%	0.742	74%	0.743	S	S	*	*			trans	55.2	144.9	134	62.3	0	0	0	0	121.1
513	T	33.3	Very low	31.6	Very low	108 Å²	108	125.6 Å²	125.6	66%	0.663	74%	0.74	S	S	*	*			cis	-167.4	159.6	11.9	2	0	0	0	0	112.4
514	N	35.4	Very low	31.4	Very low	146 Å²	146	128 Å²	128	78%	0.781	75%	0.745	S	S	*	*			trans	70.4	154	154.6	-57.9	-25.7	0	0	0	119.5
515	S	33	Very low	31.4	Very low	100 Å²	100	129.2 Å²	129.2	70%	0.699	75%	0.746	S	S	*	*			cis	-174.5	-179.7	-28	-87	0	0	0	0	107.3
516	P	36.2	Very low	31.1	Very low	110 Å²	110	131.2 Å²	131.2	71%	0.714	75%	0.745	S	S	*	*				-127.4	-175	-81.7	38.8	-19.9	0	0	0	114.2
517	S	29.6	Very low	30.8	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	74%	0.735	S	S	*	*			trans	61.7	119.6	156.2	61.1	0	0	0	0	120.8
518	K	36.7	Very low	30.6	Very low	205 Å²	205	125.7 Å²	125.7	89%	0.891	73%	0.728	S	S	*	*				-153.2	148.5	123.8	-115.3	173.3	-176.3	177.9	0	111.1
519	D	31.7	Very low	30.7	Very low	139 Å²	139	125.1 Å²	125.1	74%	0.743	72%	0.721	S	S	*	*			trans	-84.6	159.9	-157.6	-62.3	-79.5	0	0	0	115.3
520	P	29.1	Very low	30.7	Very low	117 Å²	117	121.9 Å²	121.9	76%	0.76	71%	0.71	S	S	*	*			trans	-77	140.1	-173.9	31	-36	0	0	0	112.9
521	V	29	Very low	30.9	Very low	125 Å²	125	120 Å²	120	76%	0.758	70%	0.702	S	S	*	*			trans	-89.8	107.1	170.7	-178.3	0	0	0	0	109.5	T523	V521-T523 HydrophobicContact CG1-CG2 4.12Å; V521-T523 PolarHBondContact O-N 2.85Å; V521-T523 VanDerWaalsContact O-N 3.16Å
522	Q	26.3	Very low	31	Very low	171 Å²	171	120.6 Å²	120.6	80%	0.799	69%	0.694	S	S	*	*			trans	-70.4	100.1	163.4	-68.6	178	-62	0	0	109.5	N524	Q522-N524 PolarHBondContact O-N 2.97Å
523	T	29.2	Very low	31.5	Very low	109 Å²	109	121.2 Å²	121.2	67%	0.669	69%	0.691	S	S	*	*			trans	-86.2	97.7	159.8	49.8	0	0	0	0	108.8	V521 I525	V521-T523 HydrophobicContact CG1-CG2 4.12Å; V521-T523 PolarHBondContact O-N 2.85Å; V521-T523 VanDerWaalsContact O-N 3.16Å; T523-I525 PolarHBondContact O-N 3.06Å
524	N	24.3	Very low	31.5	Very low	141 Å²	141	121.3 Å²	121.3	75%	0.754	68%	0.679	S	S	*	*			trans	-63.7	103.1	170.2	-65.1	-26.7	0	0	0	108.9	Q522	Q522-N524 PolarHBondContact O-N 2.97Å
525	I	30.3	Very low	31.2	Very low	151 Å²	151	123.4 Å²	123.4	77%	0.774	68%	0.676	S	S	*	*			trans	-93.7	110.9	164.6	-61.6	-179.2	0	0	0	106.1	T523	T523-I525 PolarHBondContact O-N 3.06Å
526	E	28.5	Very low	31.1	Very low	136 Å²	136	124.3 Å²	124.3	64%	0.636	68%	0.68	S	S	*	*			trans	-61.2	150.7	177.3	-62	-174.2	159	0	0	110.8	S528 K1280	E526-S528 PolarHBondContact O-N 3.19Å; E526-K1280 IonicContact OE2-NZ 3.8Å; E526-K1280 PolarHBondContact OE2-NZ 3.44Å
527	S	27.1	Very low	30.9	Very low	80 Å²	80	124.2 Å²	124.2	56%	0.559	67%	0.673	S	S	*	*			trans	-49.8	107.6	-180	55.8	0	0	0	0	113.1
528	S	29.7	Very low	31.1	Very low	90 Å²	90	125.2 Å²	125.2	63%	0.629	68%	0.678	S	S	*	*			trans	-70.3	142.7	158.3	47.6	0	0	0	0	109.3	E526	E526-S528 PolarHBondContact O-N 3.19Å
529	T	31	Very low	30.9	Very low	88 Å²	88	122.3 Å²	122.3	54%	0.54	67%	0.672	S	S	.	*			trans	-78.5	151.9	-178.3	45.5	0	0	0	0	110.9	S531	T529-S531 PolarHBondContact O-N 2.87Å; T529-S531 PolarHBondContact OG1-OG 2.69Å
530	P	33.6	Very low	31	Very low	99 Å²	99	121.6 Å²	121.6	64%	0.643	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	5	-176.7	-24.9	35.4	0	0	0	116.8	Q337	Q337-P530 PolarHBondContact NE2-O 2.88Å
531	S	32.3	Very low	30.9	Very low	84 Å²	84	120.3 Å²	120.3	59%	0.587	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-1.8	-170.7	51.1	0	0	0	0	115.4	T529	T529-S531 PolarHBondContact O-N 2.87Å; T529-S531 PolarHBondContact OG1-OG 2.69Å
532	E	33.4	Very low	30.8	Very low	111 Å²	111	121.9 Å²	121.9	52%	0.519	66%	0.664	S	S	.	*			trans	-105.7	-12.9	-161.3	-147.3	146.9	-130.8	0	0	114.8	W534 R535	E532-W534 VanDerWaalsContact C-N 3.31Å; E532-W534 PolarHBondContact O-N 3.49Å; E532-R535 PolarHBondContact O-N 2.67Å
533	I	41.3	Very low	30.9	Very low	135 Å²	135	120.3 Å²	120.3	69%	0.692	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-15	-167.2	-64.2	172.5	0	0	0	114.4
534	W	33.6	Very low	30.8	Very low	109 Å²	109	123.4 Å²	123.4	41%	0.413	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.5	13.1	179.8	-81.5	103.8	0	0	0	114.8	E532	E532-W534 VanDerWaalsContact C-N 3.31Å; E532-W534 PolarHBondContact O-N 3.49Å
535	R	29.1	Very low	31.1	Very low	190 Å²	190	121.1 Å²	121.1	72%	0.717	67%	0.667	S	S	*	*	S	Bend	trans	-106.6	133.9	172.3	-68.6	-178.1	-179.4	160.9	2.4	110.6	E532 D537	E532-R535 PolarHBondContact O-N 2.67Å; R535-D537 PolarHBondContact O-N 2.72Å
536	P	30.7	Very low	31.2	Very low	120 Å²	120	119.7 Å²	119.7	78%	0.779	67%	0.665	S	S	*	*			trans	-57.9	134	160.4	-19	31.9	0	0	0	109.3	P538	P536-P538 VanDerWaalsContact O-CD 3.3Å; P536-P538 WeakPolarHBondContact O-CD 3.46Å
537	D	32.5	Very low	31.8	Very low	107 Å²	107	116.3 Å²	116.3	57%	0.572	65%	0.651	S	S	*	*			trans	-62.5	118.7	178.9	-172.1	-29.5	0	0	0	109.9	R535 N539 M540	R535-D537 PolarHBondContact O-N 2.72Å; D537-N539 PolarHBondContact O-N 2.64Å; D537-N539 PolarHBondContact OD1-N 2.69Å; D537-M540 PolarHBondContact O-N 3.27Å
538	P	34.7	Very low	32.5	Very low	123 Å²	123	116.1 Å²	116.1	80%	0.799	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-15.2	-178.3	-24	35	0	0	0	114.9	P536	P536-P538 VanDerWaalsContact O-CD 3.3Å; P536-P538 WeakPolarHBondContact O-CD 3.46Å
539	N	31.8	Very low	33.4	Very low	144 Å²	144	114.6 Å²	114.6	77%	0.77	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-1.3	-176.4	-64.1	-56.1	0	0	0	114.5	D537 S541	D537-N539 PolarHBondContact O-N 2.64Å; D537-N539 PolarHBondContact OD1-N 2.69Å; N539-S541 PolarHBondContact O-N 3.46Å
540	M	33.8	Very low	34.3	Very low	123 Å²	123	113 Å²	113	61%	0.606	63%	0.63	S	S	*	*			trans	-88.7	78.2	173	-167.8	156.1	74.1	0	0	111.4	D537	D537-M540 PolarHBondContact O-N 3.27Å
541	S	26.3	Very low	35.3	Very low	90 Å²	90	112.6 Å²	112.6	63%	0.629	63%	0.625	S	S	*	*			trans	-72.2	128.9	-177.5	56.9	0	0	0	0	114.1	N539 L543	N539-S541 PolarHBondContact O-N 3.46Å; S541-L543 VanDerWaalsContact C-N 3.31Å; S541-L543 PolarHBondContact O-N 2.81Å
542	D	27.4	Very low	36.8	Very low	159 Å²	159	114.4 Å²	114.4	85%	0.85	62%	0.623	S	S	*	*	S	Bend	trans	62.3	-6.4	152.6	-60	-26.1	0	0	0	121
543	L	27.8	Very low	38.6	Very low	137 Å²	137	111.8 Å²	111.8	72%	0.717	61%	0.614	S	S	*	*	S	Bend	trans	-133.1	126.1	177.1	-65.1	172.1	0	0	0	112.1	S541	S541-L543 VanDerWaalsContact C-N 3.31Å; S541-L543 PolarHBondContact O-N 2.81Å
544	L	28	Very low	40.9	Very low	175 Å²	175	107 Å²	107	92%	0.916	59%	0.592	S	S	*	*	S	Bend	trans	78.4	44	175	-56.9	161.9	0	0	0	118.3
545	S	29.8	Very low	43.7	Very low	93 Å²	93	101.9 Å²	101.9	65%	0.65	57%	0.573	S	S	*	*			trans	-142.5	16.3	169.2	66.5	0	0	0	0	117.5	D547	S545-D547 PolarHBondContact O-N 2.78Å; S545-D547 VanDerWaalsContact O-N 3.1Å
546	T	32.1	Very low	46.9	Very low	121 Å²	121	92.8 Å²	92.8	74%	0.742	54%	0.539	S	S	*	.			trans	-72.8	100.1	164.3	52.8	0	0	0	0	109.9	P548	T546-P548 WeakPolarHBondContact O-CD 3.48Å
547	D	42.5	Very low	50	Low	64 Å²	64	87.2 Å²	87.2	34%	0.342	50%	0.503	S	S	.	.			trans	-54.4	115.6	158.2	173.2	-3.6	0	0	0	107.4	R409 S545 S549 S550	R409-D547 IonicContact CZ-OD2 2.74Å; R409-D547 IonicContact NH1-OD2 2.72Å; R409-D547 IonicContact NH2-OD2 2.59Å; R409-D547 PolarHBondContact NH2-OD2 3.09Å; S545-D547 PolarHBondContact O-N 2.78Å; S545-D547 VanDerWaalsContact O-N 3.1Å; D547-S549 PolarHBondContact O-N 2.96Å; D547-S549 WeakPolarHBondContact OD1-CB 3.3Å; D547-S549 PolarHBondContact OD1-N 3.09Å; D547-S549 PolarHBondContact OD1-OG 2.69Å; D547-S549 PolarHBondContact OD2-OG 2.75Å; D547-S550 WeakPolarHBondContact O-CB 3.31Å; D547-S550 PolarHBondContact O-N 3.44Å; D547-S550 PolarHBondContact O-OG 3.08Å
548	P	41	Very low	53	Low	77 Å²	77	82.4 Å²	82.4	50%	0.5	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-63.4	-12.5	-175.8	-26.2	38.9	0	0	0	114.1	T546 V551 P917	T546-P548 WeakPolarHBondContact O-CD 3.48Å; P548-V551 WeakPolarHBondContact O-CG2 3.23Å; P548-P917 HydrophobicContact CB-CB 4.42Å; P548-P917 HydrophobicContact CG-CB 3.64Å; P548-P917 HydrophobicContact CG-CG 4.27Å
549	S	48	Very low	55.9	Low	57 Å²	57	76.5 Å²	76.5	40%	0.399	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-86.8	-2.7	171.7	69.5	0	0	0	0	114.3	R409 D547 V551	R409-S549 PolarHBondContact NH1-OG 3.02Å; D547-S549 PolarHBondContact O-N 2.96Å; D547-S549 WeakPolarHBondContact OD1-CB 3.3Å; D547-S549 PolarHBondContact OD1-N 3.09Å; D547-S549 PolarHBondContact OD1-OG 2.69Å; D547-S549 PolarHBondContact OD2-OG 2.75Å; S549-V551 PolarHBondContact O-N 3.29Å
550	S	50.8	Low	58.8	Low	55 Å²	55	70 Å²	70	39%	0.385	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-81.3	4.9	172.2	90.5	0	0	0	0	113.8	D547	D547-S550 WeakPolarHBondContact O-CB 3.31Å; D547-S550 PolarHBondContact O-N 3.44Å; D547-S550 PolarHBondContact O-OG 3.08Å
551	V	54.2	Low	61.6	Low	90 Å²	90	66.7 Å²	66.7	55%	0.545	39%	0.387	S	S	.	.	S	Bend	trans	-70.2	127.3	174.1	178.3	0	0	0	0	108.9	P548 S549 V553	P548-V551 WeakPolarHBondContact O-CG2 3.23Å; S549-V551 PolarHBondContact O-N 3.29Å; V551-V553 HydrophobicContact CB-CG2 4.36Å; V551-V553 HydrophobicContact CG1-CG2 4Å; V551-V553 PolarHBondContact O-N 2.76Å
552	K	63.2	Low	64.7	Low	122 Å²	122	63.9 Å²	63.9	53%	0.53	36%	0.363	S	S	.	.			trans	-73.4	69.5	177.5	-64.5	-162.3	171.9	-163.1	0	112.2	D413 C554	D413-K552 WeakPolarHBondContact OD2-CE 3.24Å; D413-K552 IonicContact OD2-NZ 2.61Å; D413-K552 PolarHBondContact OD2-NZ 2.86Å; K552-C554 PolarHBondContact O-N 2.94Å
553	V	72.2	Confident	67.7	Low	57 Å²	57	56.5 Å²	56.5	35%	0.345	32%	0.324	S	S	.	.			trans	-65.8	129.9	174.7	-177.3	0	0	0	0	109.1	V551	V551-V553 HydrophobicContact CB-CG2 4.36Å; V551-V553 HydrophobicContact CG1-CG2 4Å; V551-V553 PolarHBondContact O-N 2.76Å
554	C	89.6	Confident	70.7	Confident	34 Å²	34	51.4 Å²	51.4	23%	0.23	30%	0.297	C	S	.	.			trans	-84.5	124.7	168.1	-176.8	0	0	0	0	108.2	T433 C441 K552 T591	T433-C554 WeakPolarHBondContact CG2-O 3.19Å; C441-C554 VanDerWaalsContact CA-SG 3.52Å; C441-C554 HydrophobicContact CB-CB 3.59Å; C441-C554 WeakPolarHBondContact CB-SG 3.41Å; C441-C554 WeakPolarHBondContact SG-CB 3.26Å; C441-C554 CovalentContact SG-SG 2.03Å; C441-C554 PolarHBondContact SG-SG 2.7Å; K552-C554 PolarHBondContact O-N 2.94Å; C554-T591 HydrophobicContact CB-CG2 3.67Å
555	G	92.7	Very high	73.6	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	-168.2	-171.1	0	0	0	0	0	111.6	L431 V589 A590	L431-G555 WeakPolarHBondContact O-CA 3.14Å; G555-V589 WeakPolarHBondContact O-CA 3.49Å; G555-A590 PolarHBondContact N-O 3.36Å; G555-A590 PolarHBondContact O-N 2.93Å
556	L	95.6	Very high	76.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	126.4	177.6	179.3	57.7	0	0	0	111.2	L431 G432 P434 I558 F601 W610	L431-L556 HydrophobicContact CB-CB 4.09Å; L431-L556 WeakPolarHBondContact CB-O 3.2Å; L431-L556 HydrophobicContact CD1-CB 4.48Å; L431-L556 HydrophobicContact CD1-CG 4.4Å; L431-L556 PolarHBondContact O-N 2.94Å; G432-L556 PolarHBondContact O-N 3.45Å; P434-L556 HydrophobicContact CG-CB 4.16Å; P434-L556 HydrophobicContact CG-CD2 4.27Å; L556-I558 HydrophobicContact CD1-CD1 4.13Å; L556-I558 HydrophobicContact CD2-CD1 3.71Å; L556-I558 HydrophobicContact CG-CD1 3.66Å; L556-F601 HydrophobicContact CD1-CB 4.49Å; L556-F601 HydrophobicContact CD1-CD1 3.9Å; L556-F601 HydrophobicContact CD1-CD2 3.54Å; L556-F601 HydrophobicContact CD1-CE1 3.97Å; L556-F601 HydrophobicContact CD1-CE2 3.61Å; L556-F601 HydrophobicContact CD1-CG 3.7Å; L556-F601 HydrophobicContact CD1-CZ 3.84Å; L556-F601 HydrophobicContact CD2-CB 4.02Å; L556-F601 HydrophobicContact CD2-CD1 4.22Å; L556-F601 HydrophobicContact CD2-CG 4.01Å; L556-W610 HydrophobicContact CD2-CB 3.88Å; L556-W610 HydrophobicContact CD2-CD2 3.53Å; L556-W610 HydrophobicContact CD2-CE3 3.79Å; L556-W610 HydrophobicContact CD2-CG 3.58Å
557	Q	95.6	Very high	79.1	Confident	3 Å²	3	51.3 Å²	51.3	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.5	176	-49.7	-58	-31.1	0	0	108.4	G587 H588 A590 L593	Q557-G587 CarbonylContact O-C 3.57Å; Q557-G587 WeakPolarHBondContact O-CA 3.47Å; Q557-H588 PolarHBondContact N-O 3.3Å; Q557-H588 PolarHBondContact O-N 3.25Å; Q557-A590 HydrophobicContact CG-CB 3.95Å; Q557-A590 PolarHBondContact NE2-O 2.63Å; Q557-L593 HydrophobicContact CB-CD1 4.29Å
558	I	96.4	Very high	81.4	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.4	-171.8	-59.1	-58.9	0	0	0	110.5	T418 L431 L556 P573 A585 H586 L593	T418-I558 HydrophobicContact CG2-CB 3.93Å; T418-I558 HydrophobicContact CG2-CG1 3.86Å; T418-I558 PolarHBondContact OG1-N 2.96Å; L431-I558 HydrophobicContact CD1-CD1 4.17Å; L431-I558 HydrophobicContact CD1-CG1 3.6Å; L556-I558 HydrophobicContact CD1-CD1 4.13Å; L556-I558 HydrophobicContact CD2-CD1 3.71Å; L556-I558 HydrophobicContact CG-CD1 3.66Å; I558-P573 HydrophobicContact CG2-CG 3.85Å; I558-A585 HydrophobicContact CD1-CB 3.77Å; I558-A585 HydrophobicContact CG2-CB 4.02Å; I558-H586 CarbonylContact C-O 3.56Å; I558-H586 WeakPolarHBondContact CA-O 3.21Å; I558-L593 VanDerWaalsContact O-CD1 3.24Å; I558-L593 WeakPolarHBondContact O-CD1 3.3Å
559	S	95.2	Very high	83.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	111.1	170.7	-75.1	0	0	0	0	110.4	S563 H586	S559-S563 VanDerWaalsContact CB-CB 3.5Å; S559-S563 WeakPolarHBondContact CB-OG 3.03Å; S559-S563 WeakPolarHBondContact OG-CB 3.44Å; S559-S563 PolarHBondContact OG-OG 3.01Å; S559-S563 VanDerWaalsContact OG-OG 3.09Å; S559-H586 PolarHBondContact N-O 2.8Å
560	N	93.9	Very high	85.8	Confident	7 Å²	7	44.4 Å²	44.4	4%	0.037	22%	0.221	C	C	.	.			trans	-118	-154.9	174.8	-167.8	10.8	0	0	0	109.9	D394 F562 S563 I564 P573	D394-N560 HydrophobicContact CB-CB 4.07Å; D394-N560 PolarHBondContact O-ND2 2.71Å; D394-N560 WeakPolarHBondContact OD1-CB 3.34Å; N560-F562 VanDerWaalsContact C-N 3.26Å; N560-F562 PolarHBondContact O-N 3.28Å; N560-F562 VanDerWaalsContact O-N 3.14Å; N560-S563 WeakPolarHBondContact O-CB 3.49Å; N560-S563 PolarHBondContact O-N 2.98Å; N560-I564 WeakPolarHBondContact O-CG1 3.01Å; N560-I564 PolarHBondContact O-N 2.97Å; N560-P573 HydrophobicContact CB-CG 4.33Å; N560-P573 VanDerWaalsContact CG-CD 3.5Å; N560-P573 VanDerWaalsContact OD1-CD 3.23Å; N560-P573 WeakPolarHBondContact OD1-CD 3.36Å
561	Q	91.4	Very high	87.7	Confident	54 Å²	54	42.6 Å²	42.6	25%	0.252	21%	0.208	S	C	.	.	H	α-helix	trans	-54.4	-34.3	-170.2	-60	-68.7	18.4	0	0	114.3	V392 D394 I564 K565	V392-Q561 HydrophobicContact CB-CB 3.9Å; V392-Q561 HydrophobicContact CG1-CB 4.01Å; D394-Q561 PolarHBondContact OD1-N 3.12Å; Q561-I564 PolarHBondContact O-N 3.12Å; Q561-K565 WeakPolarHBondContact O-CB 3.45Å; Q561-K565 PolarHBondContact O-N 3Å
562	F	91.3	Very high	89.5	Confident	31 Å²	31	40.4 Å²	40.4	14%	0.136	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-47.6	175.5	178.5	-102.8	0	0	0	111.9	L385 P387 D394 L416 N560 I564 K565 N566 L593	L385-F562 HydrophobicContact CD1-CE2 4.48Å; L385-F562 HydrophobicContact CD2-CB 4.06Å; L385-F562 HydrophobicContact CD2-CD1 3.79Å; L385-F562 HydrophobicContact CD2-CD2 3.97Å; L385-F562 HydrophobicContact CD2-CE1 4.19Å; L385-F562 HydrophobicContact CD2-CE2 4.33Å; L385-F562 HydrophobicContact CD2-CG 3.66Å; L385-F562 HydrophobicContact CD2-CZ 4.43Å; P387-F562 HydrophobicContact CB-CD2 4.41Å; P387-F562 HydrophobicContact CB-CE2 4.12Å; P387-F562 HydrophobicContact CG-CD2 3.46Å; P387-F562 VanDerWaalsContact CG-CD2 3.46Å; P387-F562 HydrophobicContact CG-CE2 3.63Å; D394-F562 WeakPolarHBondContact OD1-CB 3.33Å; D394-F562 PolarHBondContact OD1-N 2.69Å; L416-F562 HydrophobicContact CD1-CD1 4.01Å; L416-F562 HydrophobicContact CD1-CE1 3.37Å; L416-F562 HydrophobicContact CD1-CZ 4.02Å; N560-F562 VanDerWaalsContact C-N 3.26Å; N560-F562 PolarHBondContact O-N 3.28Å; N560-F562 VanDerWaalsContact O-N 3.14Å; F562-I564 VanDerWaalsContact C-N 3.33Å; F562-I564 PolarHBondContact O-N 2.69Å; F562-K565 PolarHBondContact O-N 3.09Å; F562-N566 WeakPolarHBondContact CD2-ND2 3.28Å; F562-N566 WeakPolarHBondContact CE1-ND2 3.48Å; F562-N566 WeakPolarHBondContact CE2-ND2 3.29Å; F562-N566 WeakPolarHBondContact CZ-ND2 3.43Å; F562-N566 WeakPolarHBondContact O-CB 3.3Å; F562-N566 PolarHBondContact O-N 2.72Å; F562-N566 PolarHBondContact O-ND2 3.35Å; F562-L593 HydrophobicContact CD1-CD2 4.26Å
563	S	91.8	Very high	91.1	Very high	4 Å²	4	35 Å²	35	3%	0.028	17%	0.173	C	C	.	.	H	α-helix	trans	-59	-45.3	175.4	-76.6	0	0	0	0	111.5	S559 N560 N566 R567 V568	S559-S563 VanDerWaalsContact CB-CB 3.5Å; S559-S563 WeakPolarHBondContact CB-OG 3.03Å; S559-S563 WeakPolarHBondContact OG-CB 3.44Å; S559-S563 PolarHBondContact OG-OG 3.01Å; S559-S563 VanDerWaalsContact OG-OG 3.09Å; N560-S563 WeakPolarHBondContact O-CB 3.49Å; N560-S563 PolarHBondContact O-N 2.98Å; S563-N566 CarbonylContact O-C 3.56Å; S563-N566 VanDerWaalsContact O-C 3.29Å; S563-N566 WeakPolarHBondContact O-CA 3.23Å; S563-N566 PolarHBondContact O-N 2.79Å; S563-N566 VanDerWaalsContact O-N 3.17Å; S563-R567 PolarHBondContact O-N 3.26Å; S563-V568 VanDerWaalsContact O-CB 3.29Å; S563-V568 WeakPolarHBondContact O-CB 3.27Å; S563-V568 WeakPolarHBondContact O-CG2 3.46Å; S563-V568 PolarHBondContact O-N 3.12Å
564	I	90	Very high	92.2	Very high	29 Å²	29	33.5 Å²	33.5	15%	0.149	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-45.5	-177.8	-64.6	163.9	0	0	0	110.6	N560 Q561 F562 N566 R567 A570 P572	N560-I564 WeakPolarHBondContact O-CG1 3.01Å; N560-I564 PolarHBondContact O-N 2.97Å; Q561-I564 PolarHBondContact O-N 3.12Å; F562-I564 VanDerWaalsContact C-N 3.33Å; F562-I564 PolarHBondContact O-N 2.69Å; I564-N566 VanDerWaalsContact C-N 3.26Å; I564-N566 PolarHBondContact O-N 3.32Å; I564-R567 WeakPolarHBondContact O-CA 3.4Å; I564-R567 PolarHBondContact O-N 3.49Å; I564-A570 HydrophobicContact CG1-CB 4Å; I564-P572 HydrophobicContact CD1-CB 4.45Å; I564-P572 HydrophobicContact CD1-CG 3.69Å
565	K	89.3	Confident	92.4	Very high	108 Å²	108	31.9 Å²	31.9	47%	0.47	15%	0.152	S	C	.	.	H	α-helix	trans	-61.6	-34.4	174.4	-172	169.5	-177.2	174.9	0	112.3	A390 V392 Q561 F562 R567	A390-K565 VanDerWaalsContact CA-NZ 3.29Å; A390-K565 HydrophobicContact CB-CD 4.13Å; A390-K565 VanDerWaalsContact CB-NZ 3.27Å; V392-K565 HydrophobicContact CG2-CB 4.35Å; V392-K565 HydrophobicContact CG2-CD 3.55Å; Q561-K565 WeakPolarHBondContact O-CB 3.45Å; Q561-K565 PolarHBondContact O-N 3Å; F562-K565 PolarHBondContact O-N 3.09Å; K565-R567 PolarHBondContact O-N 2.89Å
566	N	88	Confident	92.3	Very high	84 Å²	84	32.7 Å²	32.7	45%	0.449	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	20.4	171.9	-69.9	-62.8	0	0	0	114.2	F562 S563 I564 V568	F562-N566 WeakPolarHBondContact CD2-ND2 3.28Å; F562-N566 WeakPolarHBondContact CE1-ND2 3.48Å; F562-N566 WeakPolarHBondContact CE2-ND2 3.29Å; F562-N566 WeakPolarHBondContact CZ-ND2 3.43Å; F562-N566 WeakPolarHBondContact O-CB 3.3Å; F562-N566 PolarHBondContact O-N 2.72Å; F562-N566 PolarHBondContact O-ND2 3.35Å; S563-N566 CarbonylContact O-C 3.56Å; S563-N566 VanDerWaalsContact O-C 3.29Å; S563-N566 WeakPolarHBondContact O-CA 3.23Å; S563-N566 PolarHBondContact O-N 2.79Å; S563-N566 VanDerWaalsContact O-N 3.17Å; I564-N566 VanDerWaalsContact C-N 3.26Å; I564-N566 PolarHBondContact O-N 3.32Å; N566-V568 VanDerWaalsContact C-N 3.32Å; N566-V568 PolarHBondContact O-N 2.81Å
567	R	89.4	Confident	91.8	Very high	195 Å²	195	35.8 Å²	35.8	74%	0.736	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	68	18	172.1	-48.8	178.9	-178	169.5	2.6	115.7	S563 I564 K565 I569	S563-R567 PolarHBondContact O-N 3.26Å; I564-R567 WeakPolarHBondContact O-CA 3.4Å; I564-R567 PolarHBondContact O-N 3.49Å; K565-R567 PolarHBondContact O-N 2.89Å; R567-I569 PolarHBondContact O-N 3.03Å
568	V	89.5	Confident	91.4	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	19%	0.187	C	C	.	.			trans	-65.3	129.4	165.9	179.8	0	0	0	0	108.7	S563 N566 A570 A598	S563-V568 VanDerWaalsContact O-CB 3.29Å; S563-V568 WeakPolarHBondContact O-CB 3.27Å; S563-V568 WeakPolarHBondContact O-CG2 3.46Å; S563-V568 PolarHBondContact O-N 3.12Å; N566-V568 VanDerWaalsContact C-N 3.32Å; N566-V568 PolarHBondContact O-N 2.81Å; V568-A570 HydrophobicContact CG1-CB 4.26Å; V568-A570 PolarHBondContact O-N 3.02Å; V568-A598 HydrophobicContact CG1-CB 4.41Å
569	I	90.4	Very high	91.2	Very high	45 Å²	45	36.3 Å²	36.3	23%	0.231	19%	0.187	C	C	.	.	S	Bend	trans	-70.7	102	173.1	-47.8	-176.8	0	0	0	107.5	R567 P617 A634	R567-I569 PolarHBondContact O-N 3.03Å; I569-P617 HydrophobicContact CB-CB 4.44Å; I569-P617 HydrophobicContact CB-CG 3.92Å; I569-P617 HydrophobicContact CG2-CB 3.99Å; I569-P617 HydrophobicContact CG2-CG 3.58Å; I569-P617 WeakPolarHBondContact O-CB 3.44Å; I569-A634 HydrophobicContact CG2-CB 4.15Å
570	A	91.3	Very high	91	Very high	5 Å²	5	36.6 Å²	36.6	4%	0.041	19%	0.189	C	C	.	.			trans	-157.7	166.5	-179.2	0	0	0	0	0	110.5	I564 V568 H586	I564-A570 HydrophobicContact CG1-CB 4Å; V568-A570 HydrophobicContact CG1-CB 4.26Å; V568-A570 PolarHBondContact O-N 3.02Å; A570-H586 HydrophobicContact CB-CB 3.79Å
571	S	90.9	Very high	91	Very high	18 Å²	18	36.3 Å²	36.3	13%	0.126	19%	0.188	C	C	.	.			trans	-117.2	151.1	160.9	-56.6	0	0	0	0	108.8	H586 H619	S571-H586 PolarHBondContact N-CE1 2.9Å; S571-H586 PolarHBondContact N-ND1 2.95Å; S571-H586 PolarHBondContact O-ND1 3.03Å; S571-H619 PolarHBondContact OG-ND1 2.92Å
572	P	92.1	Very high	91.2	Very high	44 Å²	44	33.7 Å²	33.7	29%	0.286	18%	0.176	S	C	.	.			trans	-58.3	159.2	178.1	-23	34	0	0	0	112.6	I564 Y620	I564-P572 HydrophobicContact CD1-CB 4.45Å; I564-P572 HydrophobicContact CD1-CG 3.69Å; P572-Y620 PolarHBondContact O-OH 3.04Å
573	P	96.4	Very high	91.5	Very high	8 Å²	8	32.2 Å²	32.2	5%	0.052	17%	0.169	C	C	.	.			trans	-55	143.7	173.3	-24.4	35	0	0	0	112.6	Y396 I558 N560 L584 A585	Y396-P573 HydrophobicContact CD1-CB 4.09Å; Y396-P573 HydrophobicContact CD2-CB 4.25Å; Y396-P573 HydrophobicContact CE1-CB 3.86Å; Y396-P573 HydrophobicContact CE2-CB 4.03Å; Y396-P573 WeakPolarHBondContact CE2-O 3.39Å; Y396-P573 HydrophobicContact CG-CB 4.28Å; Y396-P573 HydrophobicContact CG-CG 4.48Å; Y396-P573 VanDerWaalsContact CZ-O 3.28Å; Y396-P573 PolarHBondContact OH-O 2.81Å; I558-P573 HydrophobicContact CG2-CG 3.85Å; N560-P573 HydrophobicContact CB-CG 4.33Å; N560-P573 VanDerWaalsContact CG-CD 3.5Å; N560-P573 VanDerWaalsContact OD1-CD 3.23Å; N560-P573 WeakPolarHBondContact OD1-CD 3.36Å; P573-L584 CarbonylContact C-O 3.23Å; P573-L584 VanDerWaalsContact CA-O 3.3Å; P573-L584 WeakPolarHBondContact CA-O 3.46Å; P573-A585 HydrophobicContact CB-CB 4.19Å; P573-A585 HydrophobicContact CG-CB 4.31Å
574	L	95.3	Very high	91.7	Very high	25 Å²	25	32 Å²	32	13%	0.131	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-127.2	122.9	-179	-177.9	62.9	0	0	0	110.8	Y396 L584 Y620 I622	Y396-L574 WeakPolarHBondContact OH-CA 3.47Å; L574-L584 PolarHBondContact N-O 3.13Å; L574-L584 PolarHBondContact O-N 2.85Å; L574-Y620 HydrophobicContact CB-CD2 4.15Å; L574-Y620 HydrophobicContact CB-CE2 3.8Å; L574-Y620 HydrophobicContact CD2-CD2 4.04Å; L574-I622 HydrophobicContact CD2-CD1 4.25Å; L574-I622 HydrophobicContact CD2-CG1 3.96Å; L574-I622 HydrophobicContact CG-CD1 3.94Å; L574-I622 HydrophobicContact CG-CG1 4.23Å
575	S	94.6	Very high	92.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.			trans	-143.1	152.4	172.9	60.3	0	0	0	0	108.1	Y396 A399 S400 T1185	Y396-S575 PolarHBondContact OH-N 3.38Å; Y396-S575 PolarHBondContact OH-OG 3.09Å; A399-S575 PolarHBondContact N-OG 2.72Å; S400-S575 WeakPolarHBondContact OG-CB 3.47Å; S575-T1185 PolarHBondContact O-OG1 2.99Å
576	I	89.8	Confident	92.5	Very high	18 Å²	18	25.5 Å²	25.5	9%	0.092	14%	0.138	C	C	.	.			trans	-142.5	143.3	177.3	60.9	174.7	0	0	0	110.5	S400 A578 A579 I622	S400-I576 WeakPolarHBondContact CB-O 3.44Å; I576-A578 HydrophobicContact CD1-CB 4.15Å; I576-A578 HydrophobicContact CG1-CB 4.43Å; I576-A578 PolarHBondContact O-N 3.2Å; I576-A578 VanDerWaalsContact O-N 3.13Å; I576-A579 HydrophobicContact CD1-CB 4.22Å; I576-A579 HydrophobicContact CG1-CB 3.76Å; I576-A579 PolarHBondContact O-N 3.36Å; I576-I622 HydrophobicContact CD1-CB 3.94Å; I576-I622 HydrophobicContact CD1-CD1 4.49Å; I576-I622 HydrophobicContact CD1-CG2 3.6Å; I576-I622 HydrophobicContact CG1-CB 4.45Å; I576-I622 HydrophobicContact CG1-CD1 4.07Å; I576-I622 HydrophobicContact CG1-CG2 4.15Å
577	A	86.2	Confident	92.9	Very high	66 Å²	66	21.5 Å²	21.5	55%	0.545	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.3	177.6	0	0	0	0	0	113.6	A399 A579	A399-A577 WeakPolarHBondContact O-CA 3.35Å; A399-A577 WeakPolarHBondContact O-CB 3.44Å; A399-A577 PolarHBondContact O-N 2.85Å; A577-A579 PolarHBondContact O-N 3.46Å
578	A	86.3	Confident	93.1	Very high	16 Å²	16	12.8 Å²	12.8	13%	0.132	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-5.9	176.5	0	0	0	0	0	114.4	I576 R625	I576-A578 HydrophobicContact CD1-CB 4.15Å; I576-A578 HydrophobicContact CG1-CB 4.43Å; I576-A578 PolarHBondContact O-N 3.2Å; I576-A578 VanDerWaalsContact O-N 3.13Å; A578-R625 HydrophobicContact CB-CG 4.43Å; A578-R625 WeakPolarHBondContact O-CB 3.18Å
579	A	91.5	Very high	93.4	Very high	3 Å²	3	13.4 Å²	13.4	3%	0.025	9%	0.088	C	C	.	.	S	Bend	trans	-132.9	77.6	178.5	0	0	0	0	0	110.6	S400 I576 A577 G581 L582 I622	S400-A579 VanDerWaalsContact CB-O 3.25Å; S400-A579 WeakPolarHBondContact CB-O 3.28Å; I576-A579 HydrophobicContact CD1-CB 4.22Å; I576-A579 HydrophobicContact CG1-CB 3.76Å; I576-A579 PolarHBondContact O-N 3.36Å; A577-A579 PolarHBondContact O-N 3.46Å; A579-G581 PolarHBondContact O-N 3.12Å; A579-L582 HydrophobicContact CB-CB 4.02Å; A579-L582 HydrophobicContact CB-CD2 4.02Å; A579-L582 WeakPolarHBondContact O-CB 3.43Å; A579-L582 PolarHBondContact O-N 2.83Å; A579-L582 VanDerWaalsContact O-N 3.12Å; A579-I622 HydrophobicContact CB-CG2 4.19Å
580	P	92.1	Very high	93.4	Very high	6 Å²	6	11.4 Å²	11.4	4%	0.039	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	130.3	-170	-26.3	35.1	0	0	0	114.1	L582 W855 F876 T893	P580-L582 PolarHBondContact O-N 3.38Å; P580-W855 HydrophobicContact CB-CZ3 4.45Å; P580-F876 HydrophobicContact CB-CB 4.09Å; P580-F876 HydrophobicContact CB-CD1 3.72Å; P580-F876 HydrophobicContact CB-CD2 4.36Å; P580-F876 HydrophobicContact CB-CE1 4.21Å; P580-F876 HydrophobicContact CB-CG 3.79Å; P580-F876 HydrophobicContact CG-CB 4.2Å; P580-F876 HydrophobicContact CG-CD1 3.46Å; P580-F876 VanDerWaalsContact CG-CD1 3.46Å; P580-F876 HydrophobicContact CG-CE1 4.04Å; P580-F876 HydrophobicContact CG-CG 3.97Å; P580-T893 HydrophobicContact CG-CG2 4.44Å
581	G	92.9	Very high	93.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	-6.3	-177.8	0	0	0	0	0	116.2	S400 A579 S604 D605 G606	S400-G581 PolarHBondContact O-N 3.06Å; A579-G581 PolarHBondContact O-N 3.12Å; G581-S604 CarbonylContact O-C 3.58Å; G581-S604 WeakPolarHBondContact O-CA 3.41Å; G581-D605 PolarHBondContact O-N 2.85Å; G581-D605 VanDerWaalsContact O-N 3.14Å; G581-G606 PolarHBondContact O-N 3.28Å
582	L	95.6	Very high	93.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.4	-179.9	-171.3	66.9	0	0	0	111.1	S400 A579 P580 L584 V602 S603 I622 I629 E648	S400-L582 VanDerWaalsContact CB-O 3.29Å; S400-L582 WeakPolarHBondContact CB-O 3.37Å; S400-L582 PolarHBondContact OG-O 3.3Å; A579-L582 HydrophobicContact CB-CB 4.02Å; A579-L582 HydrophobicContact CB-CD2 4.02Å; A579-L582 WeakPolarHBondContact O-CB 3.43Å; A579-L582 PolarHBondContact O-N 2.83Å; A579-L582 VanDerWaalsContact O-N 3.12Å; P580-L582 PolarHBondContact O-N 3.38Å; L582-L584 HydrophobicContact CG-CD1 4.46Å; L582-V602 HydrophobicContact CD1-CG1 3.77Å; L582-S603 WeakPolarHBondContact CA-O 3.45Å; L582-I622 HydrophobicContact CD2-CD1 4.08Å; L582-I622 HydrophobicContact CD2-CG1 4.23Å; L582-I622 HydrophobicContact CD2-CG2 3.96Å; L582-I622 HydrophobicContact CG-CD1 4.48Å; L582-I629 HydrophobicContact CD1-CD1 4.28Å; L582-I629 HydrophobicContact CD2-CD1 4.25Å; L582-E648 HydrophobicContact CD1-CB 4.09Å; L582-E648 HydrophobicContact CD1-CG 4.19Å
583	I	97.5	Very high	93.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.2	173	-39.2	176.6	0	0	0	108.7	V398 V602 S603 W610	V398-I583 HydrophobicContact CB-CD1 4.49Å; V398-I583 HydrophobicContact CG1-CD1 3.54Å; V398-I583 HydrophobicContact CG1-CG1 3.75Å; V398-I583 HydrophobicContact CG2-CD1 4.07Å; I583-V602 CarbonylContact O-C 3.36Å; I583-V602 VanDerWaalsContact O-CA 3.27Å; I583-V602 WeakPolarHBondContact O-CA 3.34Å; I583-S603 PolarHBondContact N-O 2.86Å; I583-S603 PolarHBondContact O-N 2.84Å; I583-W610 HydrophobicContact CB-CH2 3.99Å; I583-W610 HydrophobicContact CB-CZ3 4.31Å; I583-W610 HydrophobicContact CD1-CH2 4.17Å; I583-W610 HydrophobicContact CD1-CZ2 4.21Å; I583-W610 HydrophobicContact CG2-CH2 3.84Å; I583-W610 HydrophobicContact CG2-CZ3 4.37Å
584	L	97.6	Very high	93.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.6	163.4	-65.8	99.9	0	0	0	109.6	P573 L574 L582 F601 V602 Y620 I622 I629	P573-L584 CarbonylContact C-O 3.23Å; P573-L584 VanDerWaalsContact CA-O 3.3Å; P573-L584 WeakPolarHBondContact CA-O 3.46Å; L574-L584 PolarHBondContact N-O 3.13Å; L574-L584 PolarHBondContact O-N 2.85Å; L582-L584 HydrophobicContact CG-CD1 4.46Å; L584-F601 WeakPolarHBondContact CA-O 3.41Å; L584-V602 HydrophobicContact CD2-CG2 4Å; L584-V602 HydrophobicContact CG-CG2 4.02Å; L584-Y620 HydrophobicContact CB-CD2 3.97Å; L584-Y620 HydrophobicContact CB-CE1 4.41Å; L584-Y620 HydrophobicContact CB-CE2 3.76Å; L584-Y620 HydrophobicContact CB-CG 4.4Å; L584-Y620 HydrophobicContact CD2-CD1 4.31Å; L584-Y620 HydrophobicContact CD2-CD2 4.23Å; L584-Y620 HydrophobicContact CD2-CG 3.98Å; L584-I622 HydrophobicContact CD1-CD1 3.66Å; L584-I622 HydrophobicContact CD1-CG1 3.46Å; L584-I622 VanDerWaalsContact CD1-CG1 3.46Å; L584-I629 HydrophobicContact CD1-CD1 4.37Å; L584-I629 HydrophobicContact CD2-CD1 4.39Å; L584-I629 HydrophobicContact CD2-CG2 3.71Å
585	A	97.8	Very high	92.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	152.4	176.5	0	0	0	0	0	111.5	I558 P573 F601 W610 Y620	I558-A585 HydrophobicContact CD1-CB 3.77Å; I558-A585 HydrophobicContact CG2-CB 4.02Å; P573-A585 HydrophobicContact CB-CB 4.19Å; P573-A585 HydrophobicContact CG-CB 4.31Å; A585-F601 PolarHBondContact N-O 2.78Å; A585-F601 PolarHBondContact O-N 3.02Å; A585-W610 HydrophobicContact CB-CH2 4.21Å; A585-W610 HydrophobicContact CB-CZ3 4.01Å; A585-Y620 VanDerWaalsContact CA-OH 3.31Å; A585-Y620 WeakPolarHBondContact CA-OH 3.34Å
586	H	97.7	Very high	92.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	146.2	166.5	-75.6	92	0	0	0	110.2	I558 S559 A570 S571 A598 D599 P617 H618 Y620	I558-H586 CarbonylContact C-O 3.56Å; I558-H586 WeakPolarHBondContact CA-O 3.21Å; S559-H586 PolarHBondContact N-O 2.8Å; A570-H586 HydrophobicContact CB-CB 3.79Å; S571-H586 PolarHBondContact N-CE1 2.9Å; S571-H586 PolarHBondContact N-ND1 2.95Å; S571-H586 PolarHBondContact O-ND1 3.03Å; H586-A598 HydrophobicContact CB-CB 3.92Å; H586-D599 CarbonylContact C-O 3.58Å; H586-D599 WeakPolarHBondContact CA-O 3.32Å; H586-P617 WeakPolarHBondContact NE2-CA 3.32Å; H586-H618 PolarHBondContact CE1-O 2.93Å; H586-H618 PolarHBondContact NE2-N 3.33Å; H586-H618 VanDerWaalsContact NE2-N 3.12Å; H586-H618 PolarHBondContact NE2-O 3.16Å; H586-Y620 AromaticContact CE1-CE1 3.23Å; H586-Y620 WeakPolarHBondContact CE1-CE1 3.26Å; H586-Y620 AromaticContact CE1-CZ 3.69Å; H586-Y620 PolarHBondContact N-OH 2.97Å; H586-Y620 AromaticContact ND1-CE1 3.56Å; H586-Y620 AromaticContact ND1-CZ 3.65Å; H586-Y620 PolarHBondContact ND1-OH 2.87Å; H586-Y620 VanDerWaalsContact ND1-OH 3.09Å; H586-Y620 AromaticContact NE2-CE1 3.93Å
587	G	95.9	Very high	92.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	-166.7	173.6	0	0	0	0	0	116.2	Q557 D599	Q557-G587 CarbonylContact O-C 3.57Å; Q557-G587 WeakPolarHBondContact O-CA 3.47Å; G587-D599 PolarHBondContact N-O 2.03Å; G587-D599 PolarHBondContact O-N 2.83Å
588	H	94.3	Very high	92.7	Very high	12 Å²	12	26.2 Å²	26.2	6%	0.056	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.4	173.3	-54.2	101.9	0	0	0	110.3	Q557 A590 K594 T596 P597 A598	Q557-H588 PolarHBondContact N-O 3.3Å; Q557-H588 PolarHBondContact O-N 3.25Å; H588-A590 HydrophobicContact CB-CB 4.28Å; H588-A590 PolarHBondContact O-N 3.23Å; H588-K594 HydrophobicContact CB-CD 4.03Å; H588-T596 PolarHBondContact CE1-O 2.89Å; H588-T596 PolarHBondContact NE2-O 2.88Å; H588-T596 PolarHBondContact NE2-OG1 3.33Å; H588-P597 PolarHBondContact NE2-O 3.5Å; H588-A598 WeakPolarHBondContact NE2-CA 3.33Å
589	V	94.4	Very high	93.2	Very high	15 Å²	15	27.4 Å²	27.4	9%	0.091	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	115.1	161.1	-177.2	0	0	0	0	107.9	P434 V437 T440 C441 G555 K594 F601	P434-V589 HydrophobicContact CG-CG2 4.12Å; V437-V589 HydrophobicContact CG2-CG2 3.81Å; T440-V589 HydrophobicContact CG2-CB 4.07Å; T440-V589 HydrophobicContact CG2-CG1 3.99Å; C441-V589 WeakPolarHBondContact SG-CG1 3.1Å; G555-V589 WeakPolarHBondContact O-CA 3.49Å; V589-K594 PolarHBondContact O-NZ 2.94Å; V589-F601 HydrophobicContact CG2-CE1 4.08Å; V589-F601 HydrophobicContact CG2-CZ 4.06Å
590	A	92.1	Very high	93.5	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.033	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	164.8	-168.1	0	0	0	0	0	113.4	G555 Q557 H588 H592 K594	G555-A590 PolarHBondContact N-O 3.36Å; G555-A590 PolarHBondContact O-N 2.93Å; Q557-A590 HydrophobicContact CG-CB 3.95Å; Q557-A590 PolarHBondContact NE2-O 2.63Å; H588-A590 HydrophobicContact CB-CB 4.28Å; H588-A590 PolarHBondContact O-N 3.23Å; A590-H592 VanDerWaalsContact C-N 3.3Å; A590-H592 WeakPolarHBondContact CB-O 3.35Å; A590-K594 HydrophobicContact CB-CD 4.14Å; A590-K594 VanDerWaalsContact CB-CE 3.5Å; A590-K594 HydrophobicContact CB-CG 4.39Å
591	T	89.1	Confident	93.8	Very high	55 Å²	55	27 Å²	27	34%	0.337	15%	0.147	S	C	.	.	S	Bend	trans	-88.8	9.5	167.8	54.3	0	0	0	0	113.2	Y417 C554	Y417-T591 WeakPolarHBondContact CE1-O 3.3Å; Y417-T591 PolarHBondContact OH-O 2.69Å; C554-T591 HydrophobicContact CB-CG2 3.67Å
592	H	90.8	Very high	94	Very high	72 Å²	72	27.2 Å²	27.2	33%	0.333	15%	0.148	S	C	.	.	S	Bend	trans	-178.6	159	175.6	52.5	-80.2	0	0	0	110.1	T415 L416 A590	T415-H592 HydrophobicContact CG2-CB 4.37Å; L416-H592 CarbonylContact O-C 3.49Å; L416-H592 VanDerWaalsContact O-CA 3.25Å; L416-H592 WeakPolarHBondContact O-CA 3.44Å; A590-H592 VanDerWaalsContact C-N 3.3Å; A590-H592 WeakPolarHBondContact CB-O 3.35Å
593	L	91.7	Very high	94.1	Very high	21 Å²	21	27.3 Å²	27.3	11%	0.11	15%	0.148	C	C	.	.			trans	-58.9	134.8	174.5	-169.9	60.6	0	0	0	111.5	L416 Q557 I558 F562	L416-L593 HydrophobicContact CB-CB 3.96Å; L416-L593 HydrophobicContact CB-CD2 4.42Å; L416-L593 HydrophobicContact CD1-CD2 4.27Å; L416-L593 PolarHBondContact O-N 2.77Å; Q557-L593 HydrophobicContact CB-CD1 4.29Å; I558-L593 VanDerWaalsContact O-CD1 3.24Å; I558-L593 WeakPolarHBondContact O-CD1 3.3Å; F562-L593 HydrophobicContact CD1-CD2 4.26Å
594	K	91.1	Very high	93.9	Very high	79 Å²	79	28.5 Å²	28.5	34%	0.343	16%	0.157	S	C	.	.			trans	-113	154.9	-176.8	-63.8	169.7	176.5	159.7	0	112.1	H588 V589 A590	H588-K594 HydrophobicContact CB-CD 4.03Å; V589-K594 PolarHBondContact O-NZ 2.94Å; A590-K594 HydrophobicContact CB-CD 4.14Å; A590-K594 VanDerWaalsContact CB-CE 3.5Å; A590-K594 HydrophobicContact CB-CG 4.39Å
595	N	88.5	Confident	93.7	Very high	140 Å²	140	29.9 Å²	29.9	75%	0.749	16%	0.164	S	C	*	.	S	Bend	trans	-92.5	7.4	176.5	63.5	-5.7	0	0	0	114.4
596	T	89.6	Confident	93.5	Very high	64 Å²	64	29.9 Å²	29.9	39%	0.393	16%	0.164	S	C	.	.	S	Bend	trans	-81.5	158.6	175.2	45.4	0	0	0	0	111.8	H588	H588-T596 PolarHBondContact CE1-O 2.89Å; H588-T596 PolarHBondContact NE2-O 2.88Å; H588-T596 PolarHBondContact NE2-OG1 3.33Å
597	P	88.4	Confident	93.4	Very high	64 Å²	64	30 Å²	30	42%	0.416	17%	0.166	S	C	.	.			trans	-47.8	141.8	168.2	-27	35.6	0	0	0	111.8	H588 P617	H588-P597 PolarHBondContact NE2-O 3.5Å; P597-P617 HydrophobicContact CB-CG 4.2Å
598	A	92.4	Very high	93.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.			trans	-109.9	139.9	-166.8	0	0	0	0	0	112.5	V568 H586 H588 G616 P617	V568-A598 HydrophobicContact CG1-CB 4.41Å; H586-A598 HydrophobicContact CB-CB 3.92Å; H588-A598 WeakPolarHBondContact NE2-CA 3.33Å; A598-G616 CarbonylContact O-C 3.5Å; A598-P617 WeakPolarHBondContact O-CA 3.23Å; A598-P617 WeakPolarHBondContact O-CB 3.5Å; A598-P617 VanDerWaalsContact O-CD 3.25Å; A598-P617 WeakPolarHBondContact O-CD 3.45Å
599	D	96.3	Very high	93.2	Very high	41 Å²	41	36.1 Å²	36.1	22%	0.219	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	159.2	174	-70.9	-46	0	0	0	110.8	H586 G587 F601 K612 D615 G616	H586-D599 CarbonylContact C-O 3.58Å; H586-D599 WeakPolarHBondContact CA-O 3.32Å; G587-D599 PolarHBondContact N-O 2.03Å; G587-D599 PolarHBondContact O-N 2.83Å; D599-F601 HydrophobicContact CB-CD2 4.41Å; D599-F601 HydrophobicContact CB-CE2 3.62Å; D599-F601 HydrophobicContact CB-CZ 3.98Å; D599-K612 HydrophobicContact CB-CD 4.13Å; D599-K612 HydrophobicContact CB-CG 4.4Å; D599-K612 WeakPolarHBondContact OD1-CE 3.37Å; D599-K612 IonicContact OD1-NZ 3.53Å; D599-K612 PolarHBondContact OD1-NZ 3.15Å; D599-K612 WeakPolarHBondContact OD2-CE 3.41Å; D599-K612 IonicContact OD2-NZ 3.64Å; D599-K612 PolarHBondContact OD2-NZ 2.92Å; D599-D615 WeakPolarHBondContact OD1-CA 3.48Å; D599-G616 PolarHBondContact OD1-N 2.92Å
600	V	97.7	Very high	93.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.7	173.1	-173.5	0	0	0	0	110.5	A613 L614 H618 Y620	V600-A613 PolarHBondContact O-N 2.97Å; V600-L614 HydrophobicContact CB-CB 4.03Å; V600-L614 HydrophobicContact CG2-CB 4.17Å; V600-L614 HydrophobicContact CG2-CD1 4.47Å; V600-L614 PolarHBondContact N-O 2.94Å; V600-L614 PolarHBondContact O-N 3.21Å; V600-H618 HydrophobicContact CG2-CB 4.03Å; V600-Y620 HydrophobicContact CG1-CD1 3.82Å; V600-Y620 HydrophobicContact CG1-CE1 3.67Å; V600-Y620 HydrophobicContact CG2-CD1 4.15Å; V600-Y620 HydrophobicContact CG2-CE1 4.06Å
601	F	98.1	Very high	93.5	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.8	173.7	-61.7	-94.5	0	0	0	110.7	P434 V437 L556 L584 A585 V589 D599 W610 L611 K612	P434-F601 HydrophobicContact CB-CD1 4.11Å; P434-F601 HydrophobicContact CB-CE1 4.19Å; P434-F601 HydrophobicContact CG-CD1 3.73Å; P434-F601 HydrophobicContact CG-CE1 3.69Å; V437-F601 HydrophobicContact CG2-CE1 4.47Å; L556-F601 HydrophobicContact CD1-CB 4.49Å; L556-F601 HydrophobicContact CD1-CD1 3.9Å; L556-F601 HydrophobicContact CD1-CD2 3.54Å; L556-F601 HydrophobicContact CD1-CE1 3.97Å; L556-F601 HydrophobicContact CD1-CE2 3.61Å; L556-F601 HydrophobicContact CD1-CG 3.7Å; L556-F601 HydrophobicContact CD1-CZ 3.84Å; L556-F601 HydrophobicContact CD2-CB 4.02Å; L556-F601 HydrophobicContact CD2-CD1 4.22Å; L556-F601 HydrophobicContact CD2-CG 4.01Å; L584-F601 WeakPolarHBondContact CA-O 3.41Å; A585-F601 PolarHBondContact N-O 2.78Å; A585-F601 PolarHBondContact O-N 3.02Å; V589-F601 HydrophobicContact CG2-CE1 4.08Å; V589-F601 HydrophobicContact CG2-CZ 4.06Å; D599-F601 HydrophobicContact CB-CD2 4.41Å; D599-F601 HydrophobicContact CB-CE2 3.62Å; D599-F601 HydrophobicContact CB-CZ 3.98Å; F601-W610 HydrophobicContact CB-CE3 3.92Å; F601-W610 HydrophobicContact CB-CZ3 4.46Å; F601-L611 CarbonylContact C-O 3.58Å; F601-L611 VanDerWaalsContact CA-O 3.23Å; F601-L611 WeakPolarHBondContact CA-O 3.46Å; F601-K612 HydrophobicContact CD1-CB 3.9Å; F601-K612 HydrophobicContact CE1-CB 3.59Å; F601-K612 HydrophobicContact CE1-CD 4.45Å; F601-K612 HydrophobicContact CE1-CG 4.07Å; F601-K612 HydrophobicContact CZ-CB 4.32Å; F601-K612 HydrophobicContact CZ-CD 4.4Å; F601-K612 HydrophobicContact CZ-CG 4.32Å
602	V	97.6	Very high	93.9	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.024	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.6	176.8	-177.3	0	0	0	0	109.7	L582 I583 L584 W610 L611 A613 E648	L582-V602 HydrophobicContact CD1-CG1 3.77Å; I583-V602 CarbonylContact O-C 3.36Å; I583-V602 VanDerWaalsContact O-CA 3.27Å; I583-V602 WeakPolarHBondContact O-CA 3.34Å; L584-V602 HydrophobicContact CD2-CG2 4Å; L584-V602 HydrophobicContact CG-CG2 4.02Å; V602-W610 CarbonylContact O-C 3.58Å; V602-W610 WeakPolarHBondContact O-CA 3.47Å; V602-L611 PolarHBondContact N-O 2.89Å; V602-L611 PolarHBondContact O-N 3.33Å; V602-A613 HydrophobicContact CB-CB 4.3Å; V602-A613 HydrophobicContact CG2-CB 3.53Å; V602-E648 WeakPolarHBondContact CG1-O 3.35Å
603	S	97.3	Very high	94.1	Very high	1 Å²	1	34 Å²	34	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.3	161.6	178.6	0	0	0	0	109.4	L582 I583 D605 G607 T609	L582-S603 WeakPolarHBondContact CA-O 3.45Å; I583-S603 PolarHBondContact N-O 2.86Å; I583-S603 PolarHBondContact O-N 2.84Å; S603-D605 PolarHBondContact OG-N 2.84Å; S603-D605 PolarHBondContact OG-OD1 3.14Å; S603-G607 WeakPolarHBondContact OG-CA 3.31Å; S603-G607 PolarHBondContact OG-N 2.88Å; S603-T609 WeakPolarHBondContact CA-O 3.34Å; S603-T609 WeakPolarHBondContact CB-O 3.24Å; S603-T609 PolarHBondContact OG-O 2.79Å
604	S	94.4	Very high	94.4	Very high	25 Å²	25	33.2 Å²	33.2	18%	0.175	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	27.3	172.3	56.3	0	0	0	0	112	G581 E648 R878 K881	G581-S604 CarbonylContact O-C 3.58Å; G581-S604 WeakPolarHBondContact O-CA 3.41Å; S604-E648 WeakPolarHBondContact CB-OE2 3.43Å; S604-R878 PolarHBondContact O-NH1 2.86Å; S604-K881 PolarHBondContact OG-NZ 3.18Å
605	D	93	Very high	94.5	Very high	30 Å²	30	34.8 Å²	34.8	16%	0.16	19%	0.191	C	C	.	.	S	Bend	trans	-141.7	13.9	178.1	65.1	17.9	0	0	0	114.1	M401 G581 S603 G607 Y608 T609 W855	M401-D605 VanDerWaalsContact CE-O 3.3Å; M401-D605 WeakPolarHBondContact CE-O 3.49Å; G581-D605 PolarHBondContact O-N 2.85Å; G581-D605 VanDerWaalsContact O-N 3.14Å; S603-D605 PolarHBondContact OG-N 2.84Å; S603-D605 PolarHBondContact OG-OD1 3.14Å; D605-G607 PolarHBondContact OD1-N 3.1Å; D605-Y608 WeakPolarHBondContact O-CD2 3.34Å; D605-Y608 PolarHBondContact OD1-N 2.74Å; D605-T609 PolarHBondContact OD1-N 2.92Å; D605-T609 VanDerWaalsContact OD2-CB 3.26Å; D605-T609 WeakPolarHBondContact OD2-CB 3.43Å; D605-T609 WeakPolarHBondContact OD2-CG2 3.32Å; D605-T609 PolarHBondContact OD2-N 3.06Å; D605-T609 PolarHBondContact OD2-OG1 2.87Å; D605-W855 HydrophobicContact CB-CZ2 4.1Å
606	G	93.1	Very high	94.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	82	23.1	-178	0	0	0	0	0	114.9	H422 G581	H422-G606 PolarHBondContact NE2-O 2.7Å; G581-G606 PolarHBondContact O-N 3.28Å
607	G	94.8	Very high	95.1	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.031	14%	0.141	C	C	.	.	S	Bend	trans	91.7	9.5	172.4	0	0	0	0	0	115	S603 D605 W610	S603-G607 WeakPolarHBondContact OG-CA 3.31Å; S603-G607 PolarHBondContact OG-N 2.88Å; D605-G607 PolarHBondContact OD1-N 3.1Å; G607-W610 PolarHBondContact O-NE1 3.16Å
608	Y	92.8	Very high	95.5	Very high	80 Å²	80	22.7 Å²	22.7	31%	0.314	12%	0.123	S	C	.	.	S	Bend	trans	-68.9	-41.7	168.2	-73.5	-62.1	0	0	0	111.1	H422 D605 H858	H422-Y608 WeakPolarHBondContact CB-OH 3.41Å; H422-Y608 AromaticContact CD2-CE2 3.97Å; H422-Y608 AromaticContact CD2-CZ 3.7Å; H422-Y608 AromaticContact CE1-CD1 3.6Å; H422-Y608 AromaticContact CE1-CE1 3.27Å; H422-Y608 WeakPolarHBondContact CE1-CE1 3.35Å; H422-Y608 AromaticContact CE1-CZ 3.56Å; H422-Y608 AromaticContact CG-CE1 3.89Å; H422-Y608 AromaticContact CG-CZ 3.54Å; H422-Y608 AromaticContact ND1-CE1 3.24Å; H422-Y608 WeakPolarHBondContact ND1-CE1 3.33Å; H422-Y608 AromaticContact ND1-CZ 3.44Å; H422-Y608 PolarHBondContact ND1-OH 3.36Å; H422-Y608 AromaticContact NE2-CE1 3.87Å; H422-Y608 AromaticContact NE2-CE2 3.89Å; H422-Y608 AromaticContact NE2-CZ 3.71Å; D605-Y608 WeakPolarHBondContact O-CD2 3.34Å; D605-Y608 PolarHBondContact OD1-N 2.74Å; Y608-H858 HydrophobicContact CE2-CB 4.4Å; Y608-H858 AromaticContact CE2-ND1 3.46Å; Y608-H858 WeakPolarHBondContact CE2-ND1 3.48Å; Y608-H858 AromaticContact CZ-ND1 3.63Å; Y608-H858 PolarHBondContact OH-ND1 2.93Å
609	T	94.3	Very high	95.6	Very high	60 Å²	60	25.1 Å²	25.1	37%	0.368	13%	0.134	S	C	.	.	S	Bend	trans	-127.2	153.2	172.5	75.4	0	0	0	0	111.8	I435 S603 D605	I435-T609 HydrophobicContact CD1-CG2 4.1Å; S603-T609 WeakPolarHBondContact CA-O 3.34Å; S603-T609 WeakPolarHBondContact CB-O 3.24Å; S603-T609 PolarHBondContact OG-O 2.79Å; D605-T609 PolarHBondContact OD1-N 2.92Å; D605-T609 VanDerWaalsContact OD2-CB 3.26Å; D605-T609 WeakPolarHBondContact OD2-CB 3.43Å; D605-T609 WeakPolarHBondContact OD2-CG2 3.32Å; D605-T609 PolarHBondContact OD2-N 3.06Å; D605-T609 PolarHBondContact OD2-OG1 2.87Å
610	W	96.5	Very high	95.6	Very high	7 Å²	7	23.6 Å²	23.6	3%	0.027	13%	0.125	C	C	.	.			trans	-134.6	152	-176.3	-66.4	83.6	0	0	0	110.2	P434 I435 L556 I583 A585 F601 V602 G607	P434-W610 CarbonylContact C-O 3.52Å; P434-W610 VanDerWaalsContact CA-O 3.23Å; P434-W610 WeakPolarHBondContact CA-O 3.4Å; P434-W610 HydrophobicContact CB-CB 4.04Å; P434-W610 VanDerWaalsContact CB-O 3.31Å; P434-W610 WeakPolarHBondContact CB-O 3.4Å; P434-W610 HydrophobicContact CG-CB 4.1Å; I435-W610 PolarHBondContact N-O 2.62Å; L556-W610 HydrophobicContact CD2-CB 3.88Å; L556-W610 HydrophobicContact CD2-CD2 3.53Å; L556-W610 HydrophobicContact CD2-CE3 3.79Å; L556-W610 HydrophobicContact CD2-CG 3.58Å; I583-W610 HydrophobicContact CB-CH2 3.99Å; I583-W610 HydrophobicContact CB-CZ3 4.31Å; I583-W610 HydrophobicContact CD1-CH2 4.17Å; I583-W610 HydrophobicContact CD1-CZ2 4.21Å; I583-W610 HydrophobicContact CG2-CH2 3.84Å; I583-W610 HydrophobicContact CG2-CZ3 4.37Å; A585-W610 HydrophobicContact CB-CH2 4.21Å; A585-W610 HydrophobicContact CB-CZ3 4.01Å; F601-W610 HydrophobicContact CB-CE3 3.92Å; F601-W610 HydrophobicContact CB-CZ3 4.46Å; V602-W610 CarbonylContact O-C 3.58Å; V602-W610 WeakPolarHBondContact O-CA 3.47Å; G607-W610 PolarHBondContact O-NE1 3.16Å
611	L	95.7	Very high	95.4	Very high	39 Å²	39	24.6 Å²	24.6	20%	0.204	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.1	175	-174.7	77.2	0	0	0	108.2	N436 F601 V602 A613 K650	N436-L611 HydrophobicContact CB-CD1 3.89Å; N436-L611 VanDerWaalsContact CG-CD1 3.48Å; F601-L611 CarbonylContact C-O 3.58Å; F601-L611 VanDerWaalsContact CA-O 3.23Å; F601-L611 WeakPolarHBondContact CA-O 3.46Å; V602-L611 PolarHBondContact N-O 2.89Å; V602-L611 PolarHBondContact O-N 3.33Å; L611-A613 PolarHBondContact O-N 2.95Å; L611-K650 HydrophobicContact CD2-CB 4.44Å; L611-K650 HydrophobicContact CD2-CG 3.81Å
612	K	97	Very high	95.2	Very high	39 Å²	39	24.8 Å²	24.8	17%	0.17	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	116.5	163.7	-178.5	172.3	163.6	172.3	0	108.2	N436 V437 D599 F601 D615	N436-K612 PolarHBondContact ND2-O 3.41Å; N436-K612 PolarHBondContact OD1-N 3.46Å; V437-K612 HydrophobicContact CG1-CB 4.2Å; V437-K612 HydrophobicContact CG1-CD 4.2Å; V437-K612 HydrophobicContact CG2-CB 4.45Å; D599-K612 HydrophobicContact CB-CD 4.13Å; D599-K612 HydrophobicContact CB-CG 4.4Å; D599-K612 WeakPolarHBondContact OD1-CE 3.37Å; D599-K612 IonicContact OD1-NZ 3.53Å; D599-K612 PolarHBondContact OD1-NZ 3.15Å; D599-K612 WeakPolarHBondContact OD2-CE 3.41Å; D599-K612 IonicContact OD2-NZ 3.64Å; D599-K612 PolarHBondContact OD2-NZ 2.92Å; F601-K612 HydrophobicContact CD1-CB 3.9Å; F601-K612 HydrophobicContact CE1-CB 3.59Å; F601-K612 HydrophobicContact CE1-CD 4.45Å; F601-K612 HydrophobicContact CE1-CG 4.07Å; F601-K612 HydrophobicContact CZ-CB 4.32Å; F601-K612 HydrophobicContact CZ-CD 4.4Å; F601-K612 HydrophobicContact CZ-CG 4.32Å; K612-D615 WeakPolarHBondContact CE-OD1 3.31Å; K612-D615 IonicContact NZ-OD1 2.77Å; K612-D615 PolarHBondContact NZ-OD1 2.81Å
613	A	96.5	Very high	95	Very high	16 Å²	16	24.7 Å²	24.7	13%	0.132	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-37	-173.7	0	0	0	0	0	113	V600 V602 L611 G649 W652	V600-A613 PolarHBondContact O-N 2.97Å; V602-A613 HydrophobicContact CB-CB 4.3Å; V602-A613 HydrophobicContact CG2-CB 3.53Å; L611-A613 PolarHBondContact O-N 2.95Å; A613-G649 WeakPolarHBondContact CB-O 3.35Å; A613-W652 HydrophobicContact CB-CZ2 4.16Å; A613-W652 PolarHBondContact O-NE1 3.26Å; A613-W652 VanDerWaalsContact O-NE1 3.09Å
614	L	96.9	Very high	94.8	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	140.7	176.9	-63.7	168.3	0	0	0	111.2	V600 H618 A631 W652	V600-L614 HydrophobicContact CB-CB 4.03Å; V600-L614 HydrophobicContact CG2-CB 4.17Å; V600-L614 HydrophobicContact CG2-CD1 4.47Å; V600-L614 PolarHBondContact N-O 2.94Å; V600-L614 PolarHBondContact O-N 3.21Å; L614-H618 HydrophobicContact CD1-CB 4.26Å; L614-A631 HydrophobicContact CD1-CB 3.69Å; L614-W652 HydrophobicContact CD1-CD2 4.37Å; L614-W652 HydrophobicContact CD1-CE3 4.34Å; L614-W652 HydrophobicContact CD1-CH2 3.78Å; L614-W652 HydrophobicContact CD1-CZ2 3.83Å; L614-W652 HydrophobicContact CD1-CZ3 4.07Å; L614-W652 HydrophobicContact CD2-CB 4.43Å; L614-W652 HydrophobicContact CD2-CD2 3.71Å; L614-W652 HydrophobicContact CD2-CE3 4.23Å; L614-W652 HydrophobicContact CD2-CG 3.8Å; L614-W652 HydrophobicContact CD2-CZ2 4.38Å; L614-W652 HydrophobicContact CG-CD2 4.15Å; L614-W652 HydrophobicContact CG-CH2 4.33Å; L614-W652 HydrophobicContact CG-CZ2 3.88Å
615	D	94.9	Very high	94.6	Very high	113 Å²	113	25 Å²	25	60%	0.604	13%	0.127	S	C	*	.	S	Bend	trans	-73.2	129.9	166.4	-61.1	-75.3	0	0	0	110.9	D599 K612 H618	D599-D615 WeakPolarHBondContact OD1-CA 3.48Å; K612-D615 WeakPolarHBondContact CE-OD1 3.31Å; K612-D615 IonicContact NZ-OD1 2.77Å; K612-D615 PolarHBondContact NZ-OD1 2.81Å; D615-H618 PolarHBondContact O-CE1 2.6Å
616	G	94.1	Very high	94.5	Very high	9 Å²	9	23.7 Å²	23.7	9%	0.093	12%	0.122	C	C	.	.	S	Bend	trans	71.4	164	179.4	0	0	0	0	0	114.5	A598 D599 H618	A598-G616 CarbonylContact O-C 3.5Å; D599-G616 PolarHBondContact OD1-N 2.92Å; G616-H618 PolarHBondContact O-ND1 3.3Å
617	P	95.6	Very high	94.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.			trans	-71.9	142.5	-172.6	27.3	-36.3	0	0	0	112.4	I569 H586 P597 A598 A634 E635	I569-P617 HydrophobicContact CB-CB 4.44Å; I569-P617 HydrophobicContact CB-CG 3.92Å; I569-P617 HydrophobicContact CG2-CB 3.99Å; I569-P617 HydrophobicContact CG2-CG 3.58Å; I569-P617 WeakPolarHBondContact O-CB 3.44Å; H586-P617 WeakPolarHBondContact NE2-CA 3.32Å; P597-P617 HydrophobicContact CB-CG 4.2Å; A598-P617 WeakPolarHBondContact O-CA 3.23Å; A598-P617 WeakPolarHBondContact O-CB 3.5Å; A598-P617 VanDerWaalsContact O-CD 3.25Å; A598-P617 WeakPolarHBondContact O-CD 3.45Å; P617-A634 HydrophobicContact CB-CB 4.31Å; P617-A634 WeakPolarHBondContact O-CB 3.42Å; P617-A634 PolarHBondContact O-N 2.87Å; P617-E635 HydrophobicContact CG-CG 3.63Å
618	H	96.3	Very high	94.5	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.023	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140.6	179.1	-70.8	68	0	0	0	110.4	H586 V600 L614 D615 G616 Y620 A631 V632	H586-H618 PolarHBondContact CE1-O 2.93Å; H586-H618 PolarHBondContact NE2-N 3.33Å; H586-H618 VanDerWaalsContact NE2-N 3.12Å; H586-H618 PolarHBondContact NE2-O 3.16Å; V600-H618 HydrophobicContact CG2-CB 4.03Å; L614-H618 HydrophobicContact CD1-CB 4.26Å; D615-H618 PolarHBondContact O-CE1 2.6Å; G616-H618 PolarHBondContact O-ND1 3.3Å; H618-Y620 VanDerWaalsContact O-CD1 3.26Å; H618-Y620 WeakPolarHBondContact O-CD1 3.35Å; H618-A631 HydrophobicContact CB-CB 4.18Å; H618-V632 CarbonylContact C-O 3.6Å; H618-V632 WeakPolarHBondContact CA-O 3Å; H618-V632 WeakPolarHBondContact CB-O 3.03Å
619	H	94.5	Very high	94.7	Very high	50 Å²	50	20.1 Å²	20.1	23%	0.231	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.2	161.4	-61.9	-62.8	0	0	0	108.6	S571 A631 V632 F804 L807	S571-H619 PolarHBondContact OG-ND1 2.92Å; H619-A631 CarbonylContact O-C 3.56Å; H619-A631 VanDerWaalsContact O-CA 3.25Å; H619-A631 WeakPolarHBondContact O-CA 3.04Å; H619-V632 PolarHBondContact N-O 3.24Å; H619-V632 PolarHBondContact O-N 2.9Å; H619-F804 HydrophobicContact CB-CZ 4.2Å; H619-F804 AromaticContact CD2-CE1 3.27Å; H619-F804 WeakPolarHBondContact CD2-CE1 3.12Å; H619-F804 AromaticContact CD2-CZ 3.57Å; H619-F804 AromaticContact NE2-CE1 3.7Å; H619-L807 WeakPolarHBondContact O-CD2 3.4Å
620	Y	95.8	Very high	94.8	Very high	10 Å²	10	17.2 Å²	17.2	4%	0.039	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156	-177.3	43.3	-114.9	0	0	0	113.2	P572 L574 L584 A585 H586 V600 H618 V630	P572-Y620 PolarHBondContact O-OH 3.04Å; L574-Y620 HydrophobicContact CB-CD2 4.15Å; L574-Y620 HydrophobicContact CB-CE2 3.8Å; L574-Y620 HydrophobicContact CD2-CD2 4.04Å; L584-Y620 HydrophobicContact CB-CD2 3.97Å; L584-Y620 HydrophobicContact CB-CE1 4.41Å; L584-Y620 HydrophobicContact CB-CE2 3.76Å; L584-Y620 HydrophobicContact CB-CG 4.4Å; L584-Y620 HydrophobicContact CD2-CD1 4.31Å; L584-Y620 HydrophobicContact CD2-CD2 4.23Å; L584-Y620 HydrophobicContact CD2-CG 3.98Å; A585-Y620 VanDerWaalsContact CA-OH 3.31Å; A585-Y620 WeakPolarHBondContact CA-OH 3.34Å; H586-Y620 AromaticContact CE1-CE1 3.23Å; H586-Y620 WeakPolarHBondContact CE1-CE1 3.26Å; H586-Y620 AromaticContact CE1-CZ 3.69Å; H586-Y620 PolarHBondContact N-OH 2.97Å; H586-Y620 AromaticContact ND1-CE1 3.56Å; H586-Y620 AromaticContact ND1-CZ 3.65Å; H586-Y620 PolarHBondContact ND1-OH 2.87Å; H586-Y620 VanDerWaalsContact ND1-OH 3.09Å; H586-Y620 AromaticContact NE2-CE1 3.93Å; V600-Y620 HydrophobicContact CG1-CD1 3.82Å; V600-Y620 HydrophobicContact CG1-CE1 3.67Å; V600-Y620 HydrophobicContact CG2-CD1 4.15Å; V600-Y620 HydrophobicContact CG2-CE1 4.06Å; H618-Y620 VanDerWaalsContact O-CD1 3.26Å; H618-Y620 WeakPolarHBondContact O-CD1 3.35Å; Y620-V630 CarbonylContact C-O 3.5Å; Y620-V630 WeakPolarHBondContact CA-O 3.4Å
621	Q	94.7	Very high	94.9	Very high	20 Å²	20	16.9 Å²	16.9	9%	0.093	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150.6	171.4	-67	-69	-93.7	0	0	110.9	V630 L807 T809	Q621-V630 HydrophobicContact CB-CG2 3.91Å; Q621-V630 PolarHBondContact N-O 2.87Å; Q621-V630 PolarHBondContact O-N 2.97Å; Q621-L807 HydrophobicContact CG-CD2 4.2Å; Q621-L807 HydrophobicContact CG-CG 4.14Å; Q621-T809 HydrophobicContact CB-CG2 3.83Å; Q621-T809 HydrophobicContact CG-CG2 4.4Å
622	I	93.7	Very high	94.9	Very high	6 Å²	6	15 Å²	15	3%	0.031	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134	173.2	-56.4	168.6	0	0	0	108.5	L574 I576 A579 L582 L584 G813	L574-I622 HydrophobicContact CD2-CD1 4.25Å; L574-I622 HydrophobicContact CD2-CG1 3.96Å; L574-I622 HydrophobicContact CG-CD1 3.94Å; L574-I622 HydrophobicContact CG-CG1 4.23Å; I576-I622 HydrophobicContact CD1-CB 3.94Å; I576-I622 HydrophobicContact CD1-CD1 4.49Å; I576-I622 HydrophobicContact CD1-CG2 3.6Å; I576-I622 HydrophobicContact CG1-CB 4.45Å; I576-I622 HydrophobicContact CG1-CD1 4.07Å; I576-I622 HydrophobicContact CG1-CG2 4.15Å; A579-I622 HydrophobicContact CB-CG2 4.19Å; L582-I622 HydrophobicContact CD2-CD1 4.08Å; L582-I622 HydrophobicContact CD2-CG1 4.23Å; L582-I622 HydrophobicContact CD2-CG2 3.96Å; L582-I622 HydrophobicContact CG-CD1 4.48Å; L584-I622 HydrophobicContact CD1-CD1 3.66Å; L584-I622 HydrophobicContact CD1-CG1 3.46Å; L584-I622 VanDerWaalsContact CD1-CG1 3.46Å; I622-G813 WeakPolarHBondContact O-CA 3.14Å
623	A	92.4	Very high	94.8	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.008	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	176.5	179.8	0	0	0	0	0	110.1	R625 G626 L628 T809 G813 A815	A623-R625 PolarHBondContact O-N 2.78Å; A623-G626 PolarHBondContact O-N 2.86Å; A623-L628 CarbonylContact C-O 3.57Å; A623-L628 HydrophobicContact CB-CB 4Å; A623-L628 HydrophobicContact CB-CD2 3.82Å; A623-L628 HydrophobicContact CB-CG 3.97Å; A623-L628 PolarHBondContact N-O 3.16Å; A623-L628 PolarHBondContact O-N 3.18Å; A623-T809 HydrophobicContact CB-CG2 4.36Å; A623-G813 CarbonylContact C-O 3.28Å; A623-G813 WeakPolarHBondContact CA-O 3.06Å; A623-A815 HydrophobicContact CB-CB 4.13Å
624	N	93.1	Very high	94.6	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.016	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	45.1	36.8	178.4	-170	29.4	0	0	0	114.1	G626 G627 L628 G813 A815 M816 C885 N887	N624-G626 VanDerWaalsContact C-N 3.3Å; N624-G626 PolarHBondContact O-N 2.76Å; N624-G627 PolarHBondContact ND2-O 3.04Å; N624-G627 VanDerWaalsContact ND2-O 3.14Å; N624-G627 PolarHBondContact O-N 2.82Å; N624-L628 HydrophobicContact CB-CB 3.58Å; N624-G813 PolarHBondContact N-O 3.3Å; N624-G813 VanDerWaalsContact N-O 3.16Å; N624-A815 PolarHBondContact N-O 3.23Å; N624-M816 HydrophobicContact CB-SD 3.85Å; N624-C885 PolarHBondContact ND2-O 3.41Å; N624-N887 PolarHBondContact O-ND2 3.11Å; N624-N887 WeakPolarHBondContact OD1-CB 3.41Å; N624-N887 PolarHBondContact OD1-N 3.43Å; N624-N887 PolarHBondContact OD1-ND2 3.39Å
625	R	90.4	Very high	94.1	Very high	29 Å²	29	20 Å²	20	11%	0.109	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	55.9	37.8	-177.2	-64.8	173.1	169	-94.4	9	114.1	A578 A623 G627 G813 R814 E888 Y889 M891	A578-R625 HydrophobicContact CB-CG 4.43Å; A578-R625 WeakPolarHBondContact O-CB 3.18Å; A623-R625 PolarHBondContact O-N 2.78Å; R625-G627 VanDerWaalsContact C-N 3.33Å; R625-G813 PolarHBondContact N-O 2.95Å; R625-R814 HydrophobicContact CG-CG 4.41Å; R625-E888 PolarHBondContact NE-O 3Å; R625-Y889 PolarHBondContact NH2-O 3.19Å; R625-M891 PolarHBondContact NH1-O 3.32Å; R625-M891 PolarHBondContact NH2-O 3.28Å
626	G	91.9	Very high	93.7	Very high	4 Å²	4	16.5 Å²	16.5	4%	0.041	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	93.2	-20.6	-176.4	0	0	0	0	0	114	A623 N624 L628	A623-G626 PolarHBondContact O-N 2.86Å; N624-G626 VanDerWaalsContact C-N 3.3Å; N624-G626 PolarHBondContact O-N 2.76Å; G626-L628 PolarHBondContact O-N 2.87Å
627	G	93.3	Very high	93.3	Very high	6 Å²	6	19.7 Å²	19.7	6%	0.062	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	10.5	173.8	0	0	0	0	0	114.9	N624 R625	N624-G627 PolarHBondContact ND2-O 3.04Å; N624-G627 VanDerWaalsContact ND2-O 3.14Å; N624-G627 PolarHBondContact O-N 2.82Å; R625-G627 VanDerWaalsContact C-N 3.33Å
628	L	95.2	Very high	93	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	128.7	169.9	177.5	62.2	0	0	0	109	A623 N624 G626 V630 F644 S645 T646 F837	A623-L628 CarbonylContact C-O 3.57Å; A623-L628 HydrophobicContact CB-CB 4Å; A623-L628 HydrophobicContact CB-CD2 3.82Å; A623-L628 HydrophobicContact CB-CG 3.97Å; A623-L628 PolarHBondContact N-O 3.16Å; A623-L628 PolarHBondContact O-N 3.18Å; N624-L628 HydrophobicContact CB-CB 3.58Å; G626-L628 PolarHBondContact O-N 2.87Å; L628-V630 HydrophobicContact CD1-CG1 4.3Å; L628-V630 HydrophobicContact CG-CG1 4.29Å; L628-F644 HydrophobicContact CD1-CB 4.29Å; L628-F644 HydrophobicContact CD1-CD2 4.27Å; L628-S645 WeakPolarHBondContact CA-O 3.44Å; L628-T646 HydrophobicContact CD1-CG2 4.09Å; L628-F837 HydrophobicContact CD1-CD1 4.07Å; L628-F837 HydrophobicContact CD1-CE1 3.9Å; L628-F837 HydrophobicContact CD1-CE2 4.36Å; L628-F837 HydrophobicContact CD1-CG 4.39Å; L628-F837 HydrophobicContact CD1-CZ 4.05Å; L628-F837 HydrophobicContact CD2-CB 4.38Å; L628-F837 HydrophobicContact CD2-CD1 4.3Å; L628-F837 HydrophobicContact CD2-CD2 3.5Å; L628-F837 VanDerWaalsContact CD2-CD2 3.5Å; L628-F837 HydrophobicContact CD2-CE2 3.79Å; L628-F837 HydrophobicContact CD2-CG 3.79Å; L628-F837 HydrophobicContact CD2-CZ 4.31Å
629	I	96.5	Very high	92.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135	169.6	-58	177.4	0	0	0	107.2	L582 L584 F644 S645 W652	L582-I629 HydrophobicContact CD1-CD1 4.28Å; L582-I629 HydrophobicContact CD2-CD1 4.25Å; L584-I629 HydrophobicContact CD1-CD1 4.37Å; L584-I629 HydrophobicContact CD2-CD1 4.39Å; L584-I629 HydrophobicContact CD2-CG2 3.71Å; I629-F644 CarbonylContact O-C 3.53Å; I629-F644 WeakPolarHBondContact O-CA 3.49Å; I629-F644 WeakPolarHBondContact O-CB 3.17Å; I629-S645 PolarHBondContact N-O 2.99Å; I629-S645 PolarHBondContact O-N 2.95Å; I629-W652 HydrophobicContact CB-CH2 4.3Å; I629-W652 HydrophobicContact CG2-CH2 3.59Å; I629-W652 HydrophobicContact CG2-CZ2 4.44Å; I629-W652 HydrophobicContact CG2-CZ3 4.24Å
630	V	96.6	Very high	92.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.8	174.3	-65.8	0	0	0	0	110.4	Y620 Q621 L628 R643 F644 L807 T809 A818 F837	Y620-V630 CarbonylContact C-O 3.5Å; Y620-V630 WeakPolarHBondContact CA-O 3.4Å; Q621-V630 HydrophobicContact CB-CG2 3.91Å; Q621-V630 PolarHBondContact N-O 2.87Å; Q621-V630 PolarHBondContact O-N 2.97Å; L628-V630 HydrophobicContact CD1-CG1 4.3Å; L628-V630 HydrophobicContact CG-CG1 4.29Å; V630-R643 WeakPolarHBondContact CA-O 3.25Å; V630-F644 HydrophobicContact CG1-CB 4.12Å; V630-L807 HydrophobicContact CG2-CD1 4.26Å; V630-L807 HydrophobicContact CG2-CD2 4.36Å; V630-T809 HydrophobicContact CG2-CG2 4.04Å; V630-A818 HydrophobicContact CB-CB 4.46Å; V630-A818 HydrophobicContact CG1-CB 4.17Å; V630-A818 HydrophobicContact CG2-CB 4Å; V630-F837 HydrophobicContact CG1-CE2 3.8Å; V630-F837 HydrophobicContact CG1-CZ 3.7Å
631	A	97.2	Very high	92.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	147.5	-176.9	0	0	0	0	0	112.4	L614 H618 H619 R643 W652	L614-A631 HydrophobicContact CD1-CB 3.69Å; H618-A631 HydrophobicContact CB-CB 4.18Å; H619-A631 CarbonylContact O-C 3.56Å; H619-A631 VanDerWaalsContact O-CA 3.25Å; H619-A631 WeakPolarHBondContact O-CA 3.04Å; A631-R643 HydrophobicContact CB-CB 4.45Å; A631-R643 PolarHBondContact N-O 3.26Å; A631-R643 PolarHBondContact O-N 3Å; A631-W652 HydrophobicContact CB-CH2 3.96Å; A631-W652 HydrophobicContact CB-CZ3 3.71Å
632	V	95.6	Very high	92.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.3	178.5	178.1	0	0	0	0	108.9	H618 H619 A634 P639 L642 F804 L807 V820	H618-V632 CarbonylContact C-O 3.6Å; H618-V632 WeakPolarHBondContact CA-O 3Å; H618-V632 WeakPolarHBondContact CB-O 3.03Å; H619-V632 PolarHBondContact N-O 3.24Å; H619-V632 PolarHBondContact O-N 2.9Å; V632-A634 PolarHBondContact O-N 2.81Å; V632-P639 HydrophobicContact CG1-CB 3.45Å; V632-P639 VanDerWaalsContact CG1-CB 3.45Å; V632-P639 HydrophobicContact CG1-CG 3.47Å; V632-P639 VanDerWaalsContact CG1-CG 3.47Å; V632-L642 HydrophobicContact CG2-CB 4.36Å; V632-L642 HydrophobicContact CG2-CD1 4.34Å; V632-L642 HydrophobicContact CG2-CG 4.32Å; V632-F804 HydrophobicContact CB-CE2 4.24Å; V632-F804 HydrophobicContact CG1-CD2 3.98Å; V632-F804 HydrophobicContact CG1-CE2 3.84Å; V632-L807 HydrophobicContact CG2-CD1 4.2Å; V632-L807 HydrophobicContact CG2-CD2 4.12Å; V632-V820 HydrophobicContact CG2-CG2 3.79Å
633	P	94.9	Very high	92.4	Very high	21 Å²	21	30.1 Å²	30.1	14%	0.136	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	134.7	-178.1	-24.1	32.5	0	0	0	113	T636 V641	P633-T636 HydrophobicContact CB-CG2 4.35Å; P633-V641 HydrophobicContact CG-CG2 4.05Å
634	A	92.1	Very high	92.6	Very high	17 Å²	17	30.1 Å²	30.1	14%	0.14	15%	0.148	C	C	.	.	S	Bend	trans	-106.6	-10.4	-176.7	0	0	0	0	0	114.1	I569 P617 V632 T636	I569-A634 HydrophobicContact CG2-CB 4.15Å; P617-A634 HydrophobicContact CB-CB 4.31Å; P617-A634 WeakPolarHBondContact O-CB 3.42Å; P617-A634 PolarHBondContact O-N 2.87Å; V632-A634 PolarHBondContact O-N 2.81Å; A634-T636 PolarHBondContact O-N 3.4Å
635	E	87.1	Confident	92.8	Very high	126 Å²	126	30 Å²	30	59%	0.589	15%	0.148	S	C	*	.	S	Bend	trans	-64.4	-20.2	172.4	-61.3	-166.3	143.9	0	0	113.5	P617	P617-E635 HydrophobicContact CG-CG 3.63Å
636	T	87	Confident	93	Very high	38 Å²	38	28.8 Å²	28.8	23%	0.233	14%	0.144	C	C	.	.			trans	-119.4	136.3	-178.1	176.6	0	0	0	0	110.3	P633 A634 W638 P639	P633-T636 HydrophobicContact CB-CG2 4.35Å; A634-T636 PolarHBondContact O-N 3.4Å; T636-W638 PolarHBondContact O-N 2.87Å; T636-W638 VanDerWaalsContact OG1-CD1 3.31Å; T636-W638 PolarHBondContact OG1-N 3.15Å; T636-W638 PolarHBondContact OG1-NE1 2.89Å; T636-P639 HydrophobicContact CG2-CB 4.31Å
637	L	85.8	Confident	93.1	Very high	76 Å²	76	29.1 Å²	29.1	40%	0.398	14%	0.144	S	C	.	.	S	Bend	trans	-69.6	-11.6	168.3	-76.3	176.5	0	0	0	112.5	P639 V803 F804	L637-P639 VanDerWaalsContact C-CD 3.46Å; L637-V803 HydrophobicContact CB-CG1 4.43Å; L637-V803 CarbonylContact O-C 3.2Å; L637-V803 VanDerWaalsContact O-CA 3.27Å; L637-V803 WeakPolarHBondContact O-CA 3.27Å; L637-F804 PolarHBondContact O-N 2.99Å
638	W	88.1	Confident	93.1	Very high	125 Å²	125	29.8 Å²	29.8	47%	0.473	15%	0.146	S	C	.	.	S	Bend	trans	-127.4	63.8	-178	50.2	84.2	0	0	0	112.8	T636 D640 I801 V802	T636-W638 PolarHBondContact O-N 2.87Å; T636-W638 VanDerWaalsContact OG1-CD1 3.31Å; T636-W638 PolarHBondContact OG1-N 3.15Å; T636-W638 PolarHBondContact OG1-NE1 2.89Å; W638-D640 PolarHBondContact O-N 3.03Å; W638-I801 HydrophobicContact CB-CG2 3.37Å; W638-I801 HydrophobicContact CD2-CG2 4.01Å; W638-I801 HydrophobicContact CE3-CG2 4.36Å; W638-I801 HydrophobicContact CG-CG2 3.56Å; W638-V802 VanDerWaalsContact CA-O 3.31Å; W638-V802 WeakPolarHBondContact CA-O 3.38Å; W638-V802 WeakPolarHBondContact CB-O 3.46Å
639	P	89.3	Confident	93.1	Very high	13 Å²	13	29.7 Å²	29.7	8%	0.084	15%	0.146	C	C	.	.			trans	-58.3	127.6	175.4	26	-34.3	0	0	0	110.7	V632 T636 L637 F804	V632-P639 HydrophobicContact CG1-CB 3.45Å; V632-P639 VanDerWaalsContact CG1-CB 3.45Å; V632-P639 HydrophobicContact CG1-CG 3.47Å; V632-P639 VanDerWaalsContact CG1-CG 3.47Å; T636-P639 HydrophobicContact CG2-CB 4.31Å; L637-P639 VanDerWaalsContact C-CD 3.46Å; P639-F804 HydrophobicContact CG-CB 3.63Å; P639-F804 HydrophobicContact CG-CD2 3.89Å; P639-F804 HydrophobicContact CG-CG 3.99Å
640	D	88.9	Confident	92.9	Very high	65 Å²	65	35.3 Å²	35.3	35%	0.348	17%	0.17	S	C	.	.			trans	-100.8	3.1	179.6	55	2.1	0	0	0	113.5	W638 P656 L657 R658	W638-D640 PolarHBondContact O-N 3.03Å; D640-P656 CarbonylContact O-C 3.55Å; D640-P656 WeakPolarHBondContact O-CA 3.47Å; D640-L657 PolarHBondContact O-N 2.86Å; D640-R658 HydrophobicContact CB-CG 3.85Å; D640-R658 VanDerWaalsContact CB-NE 3.31Å; D640-R658 IonicContact OD2-CZ 2.92Å; D640-R658 IonicContact OD2-NH1 3.65Å; D640-R658 IonicContact OD2-NH2 2.76Å; D640-R658 PolarHBondContact OD2-NH2 2.93Å
641	V	92.9	Very high	92.8	Very high	30 Å²	30	36.1 Å²	36.1	18%	0.182	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.3	179.3	-65.5	0	0	0	0	112.1	P633 T654 I655	P633-V641 HydrophobicContact CG-CG2 4.05Å; V641-T654 HydrophobicContact CB-CG2 3.62Å; V641-T654 HydrophobicContact CG1-CG2 3.54Å; V641-T654 HydrophobicContact CG2-CG2 4.27Å; V641-I655 CarbonylContact C-O 3.5Å; V641-I655 WeakPolarHBondContact CA-O 3.42Å
642	L	94.9	Very high	92.7	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.2	157.7	174.9	149.9	0	0	0	107.6	V632 F644 I655 L657 L807 V820 V835 F837	V632-L642 HydrophobicContact CG2-CB 4.36Å; V632-L642 HydrophobicContact CG2-CD1 4.34Å; V632-L642 HydrophobicContact CG2-CG 4.32Å; L642-F644 HydrophobicContact CD2-CB 4.33Å; L642-F644 HydrophobicContact CD2-CD1 4.46Å; L642-I655 HydrophobicContact CD2-CD1 4.22Å; L642-I655 PolarHBondContact N-O 3.04Å; L642-I655 PolarHBondContact O-N 3.03Å; L642-L657 HydrophobicContact CB-CD1 4.31Å; L642-L657 HydrophobicContact CB-CD2 4.08Å; L642-L657 HydrophobicContact CB-CG 4.26Å; L642-L807 HydrophobicContact CD1-CD1 4.34Å; L642-V820 HydrophobicContact CD1-CG2 3.77Å; L642-V835 HydrophobicContact CD1-CG2 4.35Å; L642-F837 HydrophobicContact CD2-CZ 4.48Å
643	R	96.8	Very high	92.7	Very high	77 Å²	77	38.1 Å²	38.1	29%	0.291	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	149.3	171.6	-60	-173.8	-177.4	-147.7	4.8	109.8	V630 A631 W652 H653	V630-R643 WeakPolarHBondContact CA-O 3.25Å; A631-R643 HydrophobicContact CB-CB 4.45Å; A631-R643 PolarHBondContact N-O 3.26Å; A631-R643 PolarHBondContact O-N 3Å; R643-W652 HydrophobicContact CB-CE3 3.83Å; R643-W652 HydrophobicContact CB-CZ3 4.28Å; R643-H653 CarbonylContact C-O 3.32Å; R643-H653 VanDerWaalsContact CA-O 3.27Å; R643-H653 WeakPolarHBondContact CA-O 3.29Å
644	F	96.8	Very high	92.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	153.6	171.9	72.7	-89.1	0	0	0	112.4	F40 I44 L628 I629 V630 L642 W652 H653 I655 F837 M842	F40-F644 AromaticContact CD2-CE2 3.94Å; F40-F644 HydrophobicContact CD2-CE2 3.94Å; F40-F644 AromaticContact CD2-CZ 3.68Å; F40-F644 HydrophobicContact CD2-CZ 3.68Å; F40-F644 AromaticContact CE2-CE2 3.69Å; F40-F644 HydrophobicContact CE2-CE2 3.69Å; F40-F644 AromaticContact CE2-CZ 3.94Å; F40-F644 HydrophobicContact CE2-CZ 3.94Å; F40-F644 HydrophobicContact CG-CZ 4.02Å; F40-F644 HydrophobicContact CZ-CE2 4.11Å; F40-F644 HydrophobicContact CZ-CZ 4.49Å; I44-F644 HydrophobicContact CD1-CE1 4.48Å; L628-F644 HydrophobicContact CD1-CB 4.29Å; L628-F644 HydrophobicContact CD1-CD2 4.27Å; I629-F644 CarbonylContact O-C 3.53Å; I629-F644 WeakPolarHBondContact O-CA 3.49Å; I629-F644 WeakPolarHBondContact O-CB 3.17Å; V630-F644 HydrophobicContact CG1-CB 4.12Å; L642-F644 HydrophobicContact CD2-CB 4.33Å; L642-F644 HydrophobicContact CD2-CD1 4.46Å; F644-W652 VanDerWaalsContact C-CE3 3.49Å; F644-W652 CarbonylContact O-C 3.56Å; F644-W652 WeakPolarHBondContact O-CA 3.37Å; F644-H653 HydrophobicContact CD1-CB 4Å; F644-H653 HydrophobicContact CD2-CB 4.32Å; F644-H653 HydrophobicContact CE1-CB 3.52Å; F644-H653 HydrophobicContact CE2-CB 3.89Å; F644-H653 AromaticContact CE2-CD2 3.89Å; F644-H653 HydrophobicContact CG-CB 4.38Å; F644-H653 HydrophobicContact CZ-CB 3.48Å; F644-H653 VanDerWaalsContact CZ-CB 3.48Å; F644-H653 PolarHBondContact N-O 2.96Å; F644-H653 PolarHBondContact O-N 2.88Å; F644-I655 HydrophobicContact CD1-CD1 3.84Å; F644-I655 HydrophobicContact CD1-CG1 4.01Å; F644-I655 HydrophobicContact CE1-CD1 3.7Å; F644-I655 HydrophobicContact CE1-CG1 3.74Å; F644-F837 HydrophobicContact CB-CE1 3.95Å; F644-F837 HydrophobicContact CB-CZ 3.94Å; F644-F837 AromaticContact CD1-CE1 3.86Å; F644-F837 HydrophobicContact CD1-CE1 3.86Å; F644-F837 HydrophobicContact CD1-CZ 4.33Å; F644-F837 HydrophobicContact CD2-CD1 4.38Å; F644-F837 AromaticContact CD2-CE1 3.63Å; F644-F837 HydrophobicContact CD2-CE1 3.63Å; F644-F837 HydrophobicContact CD2-CZ 4.47Å; F644-F837 HydrophobicContact CE1-CE1 4.2Å; F644-F837 HydrophobicContact CE2-CD1 4.46Å; F644-F837 AromaticContact CE2-CE1 3.99Å; F644-F837 HydrophobicContact CE2-CE1 3.99Å; F644-F837 AromaticContact CG-CE1 3.55Å; F644-F837 HydrophobicContact CG-CE1 3.55Å; F644-F837 HydrophobicContact CG-CZ 4.02Å; F644-F837 HydrophobicContact CZ-CE1 4.25Å; F644-M842 HydrophobicContact CE1-SD 4.32Å; F644-M842 HydrophobicContact CZ-SD 4.03Å
645	S	96.9	Very high	92.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.6	174.2	164.6	0	0	0	0	109.6	L628 I629 D647 G649 C651	L628-S645 WeakPolarHBondContact CA-O 3.44Å; I629-S645 PolarHBondContact N-O 2.99Å; I629-S645 PolarHBondContact O-N 2.95Å; S645-D647 PolarHBondContact OG-N 3.38Å; S645-D647 PolarHBondContact OG-OD1 2.94Å; S645-G649 WeakPolarHBondContact OG-CA 3.29Å; S645-G649 PolarHBondContact OG-N 2.85Å; S645-C651 WeakPolarHBondContact CA-O 3.07Å; S645-C651 WeakPolarHBondContact CB-O 3.09Å; S645-C651 PolarHBondContact OG-O 3.22Å
646	T	95.2	Very high	93	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.031	18%	0.18	C	C	.	.	S	Bend	trans	-116.8	14.9	174.6	35.5	0	0	0	0	112.5	Q36 L628 I843 L884	Q36-T646 PolarHBondContact OE1-OG1 3.13Å; L628-T646 HydrophobicContact CD1-CG2 4.09Å; T646-I843 HydrophobicContact CG2-CD1 3.83Å; T646-L884 HydrophobicContact CG2-CD1 3.75Å
647	D	94.1	Very high	93	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.053	17%	0.17	C	C	.	.	S	Bend	trans	-140.6	35.7	-172.8	70.3	-20.7	0	0	0	112.8	S645 G649 K650 C651 K881	S645-D647 PolarHBondContact OG-N 3.38Å; S645-D647 PolarHBondContact OG-OD1 2.94Å; D647-G649 PolarHBondContact O-N 2.02Å; D647-K650 PolarHBondContact OD1-N 3.36Å; D647-K650 WeakPolarHBondContact OD2-CB 3.06Å; D647-C651 PolarHBondContact OD1-N 3.13Å; D647-C651 WeakPolarHBondContact OD2-CB 3.42Å; D647-C651 PolarHBondContact OD2-N 3.07Å; D647-C651 VanDerWaalsContact OD2-N 3.11Å; D647-C651 PolarHBondContact OD2-SG 2.99Å; D647-K881 WeakPolarHBondContact CB-O 3.36Å
648	E	94	Very high	92.5	Very high	20 Å²	20	36.3 Å²	36.3	9%	0.093	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	41.5	179.7	-59.1	176.3	128	0	0	114.4	L582 V602 S604 K881	L582-E648 HydrophobicContact CD1-CB 4.09Å; L582-E648 HydrophobicContact CD1-CG 4.19Å; V602-E648 WeakPolarHBondContact CG1-O 3.35Å; S604-E648 WeakPolarHBondContact CB-OE2 3.43Å; E648-K881 WeakPolarHBondContact OE2-CD 3.49Å; E648-K881 WeakPolarHBondContact OE2-CE 3.4Å; E648-K881 WeakPolarHBondContact OE2-CG 3.24Å; E648-K881 IonicContact OE2-NZ 3.9Å; E648-K881 PolarHBondContact OE2-NZ 3.28Å
649	G	93.7	Very high	91.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	12.5	171.1	0	0	0	0	0	115	A613 S645 D647 W652	A613-G649 WeakPolarHBondContact CB-O 3.35Å; S645-G649 WeakPolarHBondContact OG-CA 3.29Å; S645-G649 PolarHBondContact OG-N 2.85Å; D647-G649 PolarHBondContact O-N 2.02Å; G649-W652 PolarHBondContact O-NE1 3.34Å
650	K	92.6	Very high	88.7	Confident	117 Å²	117	34.9 Å²	34.9	51%	0.509	19%	0.186	S	C	.	.	S	Bend	trans	-80.1	-43.8	175	-68.7	174.9	178.3	-172.1	0	112.3	L611 D647	L611-K650 HydrophobicContact CD2-CB 4.44Å; L611-K650 HydrophobicContact CD2-CG 3.81Å; D647-K650 PolarHBondContact OD1-N 3.36Å; D647-K650 WeakPolarHBondContact OD2-CB 3.06Å
651	C	94.1	Very high	85.8	Confident	17 Å²	17	41.2 Å²	41.2	12%	0.115	21%	0.214	C	C	.	.	S	Bend	trans	-119.6	134.7	179.5	-57.4	0	0	0	0	110.3	C33 S645 D647	C33-C651 HydrophobicContact CB-CB 4.07Å; C33-C651 VanDerWaalsContact CB-SG 3.53Å; S645-C651 WeakPolarHBondContact CA-O 3.07Å; S645-C651 WeakPolarHBondContact CB-O 3.09Å; S645-C651 PolarHBondContact OG-O 3.22Å; D647-C651 PolarHBondContact OD1-N 3.13Å; D647-C651 WeakPolarHBondContact OD2-CB 3.42Å; D647-C651 PolarHBondContact OD2-N 3.07Å; D647-C651 VanDerWaalsContact OD2-N 3.11Å; D647-C651 PolarHBondContact OD2-SG 2.99Å
652	W	95.3	Very high	82.8	Confident	41 Å²	41	47.6 Å²	47.6	16%	0.155	24%	0.235	C	C	.	.			trans	-125.1	120.2	-173.8	-69.8	91	0	0	0	112.2	A613 L614 I629 A631 R643 F644 G649	A613-W652 HydrophobicContact CB-CZ2 4.16Å; A613-W652 PolarHBondContact O-NE1 3.26Å; A613-W652 VanDerWaalsContact O-NE1 3.09Å; L614-W652 HydrophobicContact CD1-CD2 4.37Å; L614-W652 HydrophobicContact CD1-CE3 4.34Å; L614-W652 HydrophobicContact CD1-CH2 3.78Å; L614-W652 HydrophobicContact CD1-CZ2 3.83Å; L614-W652 HydrophobicContact CD1-CZ3 4.07Å; L614-W652 HydrophobicContact CD2-CB 4.43Å; L614-W652 HydrophobicContact CD2-CD2 3.71Å; L614-W652 HydrophobicContact CD2-CE3 4.23Å; L614-W652 HydrophobicContact CD2-CG 3.8Å; L614-W652 HydrophobicContact CD2-CZ2 4.38Å; L614-W652 HydrophobicContact CG-CD2 4.15Å; L614-W652 HydrophobicContact CG-CH2 4.33Å; L614-W652 HydrophobicContact CG-CZ2 3.88Å; I629-W652 HydrophobicContact CB-CH2 4.3Å; I629-W652 HydrophobicContact CG2-CH2 3.59Å; I629-W652 HydrophobicContact CG2-CZ2 4.44Å; I629-W652 HydrophobicContact CG2-CZ3 4.24Å; A631-W652 HydrophobicContact CB-CH2 3.96Å; A631-W652 HydrophobicContact CB-CZ3 3.71Å; R643-W652 HydrophobicContact CB-CE3 3.83Å; R643-W652 HydrophobicContact CB-CZ3 4.28Å; F644-W652 VanDerWaalsContact C-CE3 3.49Å; F644-W652 CarbonylContact O-C 3.56Å; F644-W652 WeakPolarHBondContact O-CA 3.37Å; G649-W652 PolarHBondContact O-NE1 3.34Å
653	H	95.5	Very high	79.4	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	155.5	174.2	-55.3	-64.8	0	0	0	110.2	Q37 F40 R643 F644	Q37-H653 PolarHBondContact OE1-ND1 2.85Å; F40-H653 HydrophobicContact CD2-CB 4.28Å; F40-H653 AromaticContact CD2-CD2 3.64Å; F40-H653 AromaticContact CD2-CG 3.7Å; F40-H653 AromaticContact CD2-NE2 3.92Å; F40-H653 AromaticContact CE2-CD2 3.46Å; F40-H653 VanDerWaalsContact CE2-CD2 3.46Å; F40-H653 WeakPolarHBondContact CE2-CD2 3.24Å; F40-H653 AromaticContact CE2-NE2 3.65Å; R643-H653 CarbonylContact C-O 3.32Å; R643-H653 VanDerWaalsContact CA-O 3.27Å; R643-H653 WeakPolarHBondContact CA-O 3.29Å; F644-H653 HydrophobicContact CD1-CB 4Å; F644-H653 HydrophobicContact CD2-CB 4.32Å; F644-H653 HydrophobicContact CE1-CB 3.52Å; F644-H653 HydrophobicContact CE2-CB 3.89Å; F644-H653 AromaticContact CE2-CD2 3.89Å; F644-H653 HydrophobicContact CG-CB 4.38Å; F644-H653 HydrophobicContact CZ-CB 3.48Å; F644-H653 VanDerWaalsContact CZ-CB 3.48Å; F644-H653 PolarHBondContact N-O 2.96Å; F644-H653 PolarHBondContact O-N 2.88Å
654	T	95	Very high	76.3	Confident	56 Å²	56	54.6 Å²	54.6	34%	0.344	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.7	-169.1	-57.6	0	0	0	0	112.2	V641	V641-T654 HydrophobicContact CB-CG2 3.62Å; V641-T654 HydrophobicContact CG1-CG2 3.54Å; V641-T654 HydrophobicContact CG2-CG2 4.27Å
655	I	94.1	Very high	73	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.2	177.2	-58.1	175.3	0	0	0	108.7	I44 A49 L50 V641 L642 F644 L657 V835 M842	I44-I655 HydrophobicContact CD1-CG1 4.26Å; I44-I655 HydrophobicContact CG1-CG1 4.27Å; A49-I655 HydrophobicContact CB-CD1 4.19Å; A49-I655 HydrophobicContact CB-CG1 4.39Å; A49-I655 HydrophobicContact CB-CG2 4.11Å; L50-I655 HydrophobicContact CB-CG2 4.24Å; V641-I655 CarbonylContact C-O 3.5Å; V641-I655 WeakPolarHBondContact CA-O 3.42Å; L642-I655 HydrophobicContact CD2-CD1 4.22Å; L642-I655 PolarHBondContact N-O 3.04Å; L642-I655 PolarHBondContact O-N 3.03Å; F644-I655 HydrophobicContact CD1-CD1 3.84Å; F644-I655 HydrophobicContact CD1-CG1 4.01Å; F644-I655 HydrophobicContact CE1-CD1 3.7Å; F644-I655 HydrophobicContact CE1-CG1 3.74Å; I655-L657 PolarHBondContact O-N 2.9Å; I655-V835 HydrophobicContact CD1-CB 4.46Å; I655-V835 HydrophobicContact CD1-CG1 3.58Å; I655-V835 HydrophobicContact CD1-CG2 3.99Å; I655-V835 HydrophobicContact CG2-CG2 4.47Å; I655-M842 HydrophobicContact CD1-CE 3.9Å; I655-M842 HydrophobicContact CD1-SD 4.27Å
656	P	91.9	Very high	69.9	Low	70 Å²	70	68.1 Å²	68.1	46%	0.455	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	127.3	175	-23	34.6	0	0	0	112.7	L50 D640	L50-P656 WeakPolarHBondContact CD2-O 3.47Å; D640-P656 CarbonylContact O-C 3.55Å; D640-P656 WeakPolarHBondContact O-CA 3.47Å
657	L	87.5	Confident	66.9	Low	2 Å²	2	72.2 Å²	72.2	1%	0.01	38%	0.381	C	S	.	.			trans	-88	-5	173.6	-62.3	175.5	0	0	0	113	L50 D640 L642 I655 V820 R831 A833	L50-L657 HydrophobicContact CD1-CD2 3.88Å; L50-L657 HydrophobicContact CD2-CD2 4.1Å; D640-L657 PolarHBondContact O-N 2.86Å; L642-L657 HydrophobicContact CB-CD1 4.31Å; L642-L657 HydrophobicContact CB-CD2 4.08Å; L642-L657 HydrophobicContact CB-CG 4.26Å; I655-L657 PolarHBondContact O-N 2.9Å; L657-V820 HydrophobicContact CD1-CG1 4.12Å; L657-R831 PolarHBondContact O-NH2 2.62Å; L657-A833 HydrophobicContact CD2-CB 4.45Å
658	R	75.4	Confident	63.8	Low	110 Å²	110	78.6 Å²	78.6	42%	0.415	42%	0.415	S	S	.	.	S	Bend	trans	-91.6	120.8	168.9	-67	-172.3	-171.1	158.8	19.2	109.7	D640 G660	D640-R658 HydrophobicContact CB-CG 3.85Å; D640-R658 VanDerWaalsContact CB-NE 3.31Å; D640-R658 IonicContact OD2-CZ 2.92Å; D640-R658 IonicContact OD2-NH1 3.65Å; D640-R658 IonicContact OD2-NH2 2.76Å; D640-R658 PolarHBondContact OD2-NH2 2.93Å; R658-G660 VanDerWaalsContact C-N 3.33Å; R658-G660 PolarHBondContact O-N 2.6Å
659	T	57.5	Low	60.8	Low	55 Å²	55	86.9 Å²	86.9	34%	0.337	45%	0.446	S	S	.	.			trans	-76.2	77.4	-176.5	48.8	0	0	0	0	111.4	V52 Q661	V52-T659 HydrophobicContact CG2-CG2 3.92Å; T659-Q661 PolarHBondContact O-N 2.8Å; T659-Q661 VanDerWaalsContact O-N 3.12Å
660	G	40.3	Very low	57.7	Low	54 Å²	54	94.6 Å²	94.6	56%	0.557	48%	0.476	S	S	*	.			trans	-61.2	111.7	176.3	0	0	0	0	0	112.3	R658 W662	R658-G660 VanDerWaalsContact C-N 3.33Å; R658-G660 PolarHBondContact O-N 2.6Å; G660-W662 PolarHBondContact O-NE1 2.74Å
661	Q	27.6	Very low	54.7	Low	198 Å²	198	96.5 Å²	96.5	93%	0.925	49%	0.487	S	S	*	.	S	Bend	trans	51.4	67.8	163.1	-163	173.7	-13.3	0	0	116.6	T659	T659-Q661 PolarHBondContact O-N 2.8Å; T659-Q661 VanDerWaalsContact O-N 3.12Å
662	W	28.8	Very low	51.6	Low	163 Å²	163	100.8 Å²	100.8	62%	0.617	51%	0.512	S	S	*	.			trans	-105.7	122	168.8	-72.7	72.8	0	0	0	111.2	G46 G660 I664	G46-W662 WeakPolarHBondContact O-CH2 3.31Å; G660-W662 PolarHBondContact O-NE1 2.74Å; W662-I664 PolarHBondContact O-N 2.92Å; W662-I664 VanDerWaalsContact O-N 3.14Å
663	S	25.2	Very low	48.5	Very low	106 Å²	106	104.6 Å²	104.6	74%	0.741	54%	0.535	S	S	*	.			trans	-69.4	107.1	172.1	56.5	0	0	0	0	109.6	N665	S663-N665 PolarHBondContact O-N 2.95Å
664	I	30	Very low	45.3	Very low	119 Å²	119	110.6 Å²	110.6	61%	0.61	57%	0.568	S	S	*	*			trans	-69.4	102.2	167.4	-49.1	177.5	0	0	0	106.9	W662 E666	W662-I664 PolarHBondContact O-N 2.92Å; W662-I664 VanDerWaalsContact O-N 3.14Å; I664-E666 VanDerWaalsContact C-N 3.27Å; I664-E666 HydrophobicContact CB-CG 4.08Å; I664-E666 HydrophobicContact CG2-CB 4.49Å; I664-E666 HydrophobicContact CG2-CG 3.57Å; I664-E666 PolarHBondContact O-N 3.25Å
665	N	27.6	Very low	42.4	Very low	123 Å²	123	115.4 Å²	115.4	66%	0.658	59%	0.591	S	S	*	*			trans	-70.9	93.4	159.5	-73.9	-3.3	0	0	0	106.4	S663 S667	S663-N665 PolarHBondContact O-N 2.95Å; N665-S667 PolarHBondContact O-N 2.99Å
666	E	33.6	Very low	39.6	Very low	161 Å²	161	123.6 Å²	123.6	75%	0.752	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	7.4	-172.9	-69.1	-177.2	144.1	0	0	114.1	I664	I664-E666 VanDerWaalsContact C-N 3.27Å; I664-E666 HydrophobicContact CB-CG 4.08Å; I664-E666 HydrophobicContact CG2-CB 4.49Å; I664-E666 HydrophobicContact CG2-CG 3.57Å; I664-E666 PolarHBondContact O-N 3.25Å
667	S	32.1	Very low	37	Very low	92 Å²	92	125.5 Å²	125.5	64%	0.643	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-22.3	179.5	61.6	0	0	0	0	115.3	N665	N665-S667 PolarHBondContact O-N 2.99Å
668	N	28.9	Very low	34.7	Very low	143 Å²	143	131.5 Å²	131.5	77%	0.765	67%	0.668	S	S	*	*	S	Bend	trans	-119	20	-162	-78.6	30.9	0	0	0	115.8
669	R	29.3	Very low	32.7	Very low	195 Å²	195	130.9 Å²	130.9	74%	0.736	68%	0.68	S	S	*	*	S	Bend	trans	-147.6	34.2	176.4	-145.3	-177.9	-71.3	-172.1	-2.2	116.5
670	Y	28.6	Very low	31.6	Very low	161 Å²	161	134.7 Å²	134.7	63%	0.631	70%	0.696	S	S	*	*			trans	-144.4	110.1	161.4	-103.2	-89.4	0	0	0	109.4	V56 V672	V56-Y670 WeakPolarHBondContact CG1-OH 3.38Å; Y670-V672 HydrophobicContact CD1-CG2 4.15Å; Y670-V672 HydrophobicContact CE1-CG2 4.49Å
671	Q	29.6	Very low	31.3	Very low	158 Å²	158	140.4 Å²	140.4	74%	0.738	71%	0.705	S	S	*	*			trans	-129.4	83.5	170.2	-84.6	-88.5	-68.4	0	0	106.9	N673	Q671-N673 PolarHBondContact OE1-ND2 2.91Å; Q671-N673 PolarHBondContact OE1-OD1 3.06Å
672	V	29.4	Very low	31.5	Very low	107 Å²	107	134.9 Å²	134.9	65%	0.648	69%	0.688	S	S	*	*			trans	-100	89.1	168.8	178	0	0	0	0	105.8	Y670 N674	Y670-V672 HydrophobicContact CD1-CG2 4.15Å; Y670-V672 HydrophobicContact CE1-CG2 4.49Å; V672-N674 VanDerWaalsContact C-N 3.35Å; V672-N674 PolarHBondContact O-N 3.32Å; V672-N674 VanDerWaalsContact O-N 3.09Å
673	N	30.5	Very low	31.8	Very low	120 Å²	120	135.4 Å²	135.4	64%	0.642	70%	0.698	S	S	*	*			trans	-88.2	76.3	-170.6	-67.7	-4.1	0	0	0	110.4	Q671	Q671-N673 PolarHBondContact OE1-ND2 2.91Å; Q671-N673 PolarHBondContact OE1-OD1 3.06Å
674	N	28.5	Very low	32.3	Very low	128 Å²	128	135.4 Å²	135.4	68%	0.684	69%	0.694	S	S	*	*			trans	-85.2	119.7	162.6	-67.9	14.2	0	0	0	108.7	V672	V672-N674 VanDerWaalsContact C-N 3.35Å; V672-N674 PolarHBondContact O-N 3.32Å; V672-N674 VanDerWaalsContact O-N 3.09Å
675	N	33.4	Very low	32.7	Very low	157 Å²	157	136.4 Å²	136.4	84%	0.84	70%	0.695	S	S	*	*				161.6	131.8	129.1	-79.9	-1.3	0	0	0	109.8
676	E	36.1	Very low	33.3	Very low	174 Å²	174	137.2 Å²	137.2	81%	0.813	70%	0.695	S	S	*	*			trans	-83.3	143.2	171.9	-63.6	146.3	123.4	0	0	109.7
677	D	37.7	Very low	33.5	Very low	109 Å²	109	135.8 Å²	135.8	58%	0.583	69%	0.692	S	S	*	*				172.1	146	106.5	-92.8	-28.6	0	0	0	115.6
678	D	38.7	Very low	33.8	Very low	129 Å²	129	138.1 Å²	138.1	69%	0.69	70%	0.698	S	S	*	*			trans	29.7	115.6	158.9	-90	-20.9	0	0	0	126.8
679	S	33.2	Very low	34.4	Very low	96 Å²	96	136.5 Å²	136.5	67%	0.671	69%	0.693	S	S	*	*				70.1	155.5	118.8	100.1	0	0	0	0	121.2
680	M	34.7	Very low	34.8	Very low	135 Å²	135	134.7 Å²	134.7	67%	0.665	70%	0.697	S	S	*	*			cis	-162.3	156.9	-6.6	-139.6	-164	-44.6	0	0	111.4
681	K	33.4	Very low	35.1	Very low	175 Å²	175	133.9 Å²	133.9	76%	0.761	70%	0.704	S	S	*	*			trans	70.2	149.1	156.6	-78.7	161.6	-178.7	162.3	0	118.6
682	S	32.3	Very low	35.4	Very low	81 Å²	81	133.4 Å²	133.4	57%	0.566	71%	0.706	S	S	*	*			cis	-165.4	144	-10.1	-137.8	0	0	0	0	113.2
683	Q	36.1	Very low	35.8	Very low	174 Å²	174	134.3 Å²	134.3	81%	0.813	72%	0.717	S	S	*	*			trans	58.3	150.3	142.6	-67.6	171.3	-33.5	0	0	119.3
684	T	35.1	Very low	36	Very low	107 Å²	107	137.9 Å²	137.9	66%	0.656	73%	0.73	S	S	*	*			cis	-169.3	-174.7	-1.6	17	0	0	0	0	107.8
685	H	37.9	Very low	36.2	Very low	140 Å²	140	140.7 Å²	140.7	65%	0.648	74%	0.739	S	S	*	*			cis	-162.6	157.6	5.6	-115.8	-60.4	0	0	0	108.7
686	H	39.7	Very low	36.2	Very low	139 Å²	139	138.1 Å²	138.1	64%	0.644	73%	0.733	S	S	*	*			trans	44.1	147.6	147.8	-59.6	-48.1	0	0	0	123.8
687	D	38.7	Very low	35.9	Very low	131 Å²	131	137 Å²	137	70%	0.701	73%	0.732	S	S	*	*			cis	-162.2	-150.8	-22.5	-81.4	-25	0	0	0	104.9
688	D	38.6	Very low	35.5	Very low	142 Å²	142	138 Å²	138	76%	0.759	74%	0.738	S	S	*	*			cis	-166.1	172.9	-0.2	-156.3	-4.2	0	0	0	111.8
689	V	41.1	Very low	35	Very low	108 Å²	108	140.3 Å²	140.3	66%	0.655	74%	0.741	S	S	*	*			trans	60.6	117.4	158.6	-166.9	0	0	0	0	123.7
690	L	36.8	Very low	34.8	Very low	157 Å²	157	143.2 Å²	143.2	82%	0.822	75%	0.748	S	S	*	*			trans	9	157.4	134.2	-57.8	157.7	0	0	0	120.9
691	D	36.4	Very low	34.6	Very low	145 Å²	145	145 Å²	145	78%	0.775	75%	0.752	S	S	*	*			cis	-165.5	-178	46.3	-157.9	4.9	0	0	0	114.4
692	D	36.2	Very low	34.2	Very low	147 Å²	147	142 Å²	142	79%	0.786	75%	0.752	S	S	*	*			trans	-74	156.3	-166.9	-75.7	-30.1	0	0	0	119.6
693	S	37.4	Very low	33.9	Very low	126 Å²	126	144.2 Å²	144.2	88%	0.881	76%	0.763	S	S	*	*				168.9	168.2	126	45	0	0	0	0	114.7
694	E	33.6	Very low	33.4	Very low	195 Å²	195	140.2 Å²	140.2	91%	0.911	75%	0.754	S	S	*	*			trans	-98.5	168.9	-163.4	-64.4	-175.3	106.9	0	0	117.3
695	E	33.2	Very low	33	Very low	187 Å²	187	141.4 Å²	141.4	87%	0.874	76%	0.761	S	S	*	*			trans	104	135.7	145.2	-156	171.7	-140.5	0	0	121.1
696	S	32.7	Very low	32.4	Very low	103 Å²	103	143.4 Å²	143.4	72%	0.72	77%	0.768	S	S	*	*			trans	85.8	122.6	160.5	76.9	0	0	0	0	121.9
697	L	30.3	Very low	32	Very low	151 Å²	151	143.3 Å²	143.3	79%	0.791	78%	0.777	S	S	*	*			trans	45.3	132	145.7	-93.7	63.7	0	0	0	123.9
698	D	29.2	Very low	31.7	Very low	131 Å²	131	142 Å²	142	70%	0.701	77%	0.773	S	S	*	*			trans	75.5	139.7	142.6	-72.1	-10.7	0	0	0	122.6
699	K	28.5	Very low	31.3	Very low	177 Å²	177	141.2 Å²	141.2	77%	0.77	77%	0.769	S	S	*	*			trans	71.3	59.9	160.5	-61.2	162	-173.7	160.8	0	119.4
700	I	29	Very low	30.8	Very low	156 Å²	156	143.3 Å²	143.3	80%	0.8	78%	0.775	S	S	*	*			trans	-118	96.8	150.8	-61.5	-179.9	0	0	0	107.2
701	K	30	Very low	30.5	Very low	174 Å²	174	141.9 Å²	141.9	76%	0.757	78%	0.776	S	S	*	*				59.4	120.6	67	-68.3	-178.4	173.7	173.3	0	113.7	T703	K701-T703 PolarHBondContact O-N 2.85Å; K701-T703 VanDerWaalsContact O-N 3.08Å
702	S	26.1	Very low	30.3	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	78%	0.777	S	S	*	*			trans	-22.4	105.3	160.3	-175	0	0	0	0	113.7	S704	S702-S704 PolarHBondContact O-N 2.86Å
703	T	25.2	Very low	30.2	Very low	128 Å²	128	138.8 Å²	138.8	79%	0.785	77%	0.774	S	S	*	*			trans	-74.3	76.1	168.6	19.4	0	0	0	0	109.3	K701 V705	K701-T703 PolarHBondContact O-N 2.85Å; K701-T703 VanDerWaalsContact O-N 3.08Å; T703-V705 PolarHBondContact O-N 2.99Å; T703-V705 VanDerWaalsContact O-N 3.11Å
704	S	26.8	Very low	30	Very low	90 Å²	90	136.8 Å²	136.8	63%	0.629	76%	0.76	S	S	*	*			trans	-63.6	107.9	161.5	39.4	0	0	0	0	108.7	S702 K706	S702-S704 PolarHBondContact O-N 2.86Å; S704-K706 PolarHBondContact O-N 2.66Å
705	V	26	Very low	30	Very low	133 Å²	133	135.7 Å²	135.7	81%	0.806	76%	0.755	S	S	*	*			trans	-63.9	100	172.7	179.1	0	0	0	0	108	T703 V707	T703-V705 PolarHBondContact O-N 2.99Å; T703-V705 VanDerWaalsContact O-N 3.11Å; V705-V707 HydrophobicContact CG1-CG2 4.39Å; V705-V707 PolarHBondContact O-N 2.57Å
706	K	26	Very low	30	Very low	182 Å²	182	133.8 Å²	133.8	79%	0.791	75%	0.746	S	S	*	*			trans	-72.3	106.1	170.1	-75.4	-171.2	178.7	-172.9	0	108.9	S704	S704-K706 PolarHBondContact O-N 2.66Å
707	V	30.1	Very low	29.9	Very low	136 Å²	136	138.6 Å²	138.6	82%	0.824	76%	0.757	S	S	*	*			trans	-88.6	125.1	155	-176.2	0	0	0	0	106.6	V705	V705-V707 HydrophobicContact CG1-CG2 4.39Å; V705-V707 PolarHBondContact O-N 2.57Å
708	T	32	Very low	29.8	Very low	103 Å²	103	141.3 Å²	141.3	63%	0.632	76%	0.757	S	S	*	*			trans	-106.4	116.9	-176.4	33.6	0	0	0	0	110.9
709	D	31.3	Very low	29.9	Very low	126 Å²	126	143.3 Å²	143.3	67%	0.674	77%	0.765	S	S	*	*			trans	61.4	99.5	138.6	-49.6	-41.4	0	0	0	121.3
710	I	29.8	Very low	30	Very low	153 Å²	153	141 Å²	141	79%	0.785	77%	0.766	S	S	*	*				68.1	149.4	115	-66	157.4	0	0	0	118.2
711	P	31.9	Very low	30	Very low	127 Å²	127	143.4 Å²	143.4	83%	0.825	77%	0.771	S	S	*	*			cis	-124.2	-158.4	8.2	26.6	-0.9	0	0	0	115.2
712	S	30.5	Very low	30.2	Very low	116 Å²	116	142.2 Å²	142.2	81%	0.811	77%	0.773	S	S	*	*			trans	-142.3	-168.8	-165.8	73	0	0	0	0	113.7
713	P	35.5	Very low	30.7	Very low	110 Å²	110	145.5 Å²	145.5	71%	0.714	77%	0.773	S	S	*	*				-133.2	-178.1	-121.1	37.1	-13.7	0	0	0	118.4
714	S	31.5	Very low	31.3	Very low	84 Å²	84	146.5 Å²	146.5	59%	0.587	77%	0.774	S	S	*	*			trans	-168.1	145.7	169.1	56.5	0	0	0	0	109.9
715	E	34.7	Very low	31.8	Very low	172 Å²	172	149.1 Å²	149.1	80%	0.804	79%	0.786	S	S	*	*			cis	-140.8	179.9	39.1	-74.2	-167.8	109.8	0	0	115.1
716	E	32.5	Very low	32.4	Very low	147 Å²	147	150 Å²	150	69%	0.687	79%	0.785	S	S	*	*			trans	-86.4	159.1	-175.1	-52.9	-178.2	106.4	0	0	115.3	R718	E716-R718 IonicContact OE1-NH1 2.77Å
717	Q	31.2	Very low	32.8	Very low	204 Å²	204	147 Å²	147	95%	0.953	78%	0.784	S	S	*	*				-146.3	129.1	124.2	-124.8	168.8	82.8	0	0	113.8
718	R	28.9	Very low	33	Very low	209 Å²	209	146.6 Å²	146.6	79%	0.789	78%	0.782	S	S	*	*			trans	-117.2	133.7	179.5	-91.3	173.5	158.4	161.4	-6.3	111.3	E716	E716-R718 IonicContact OE1-NH1 2.77Å
719	I	30.1	Very low	33.1	Very low	172 Å²	172	147.3 Å²	147.3	88%	0.882	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-95.7	139.1	163.7	-63.9	178.6	0	0	0	109.2
720	V	30.7	Very low	33.2	Very low	128 Å²	128	148 Å²	148	78%	0.776	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-84.3	138.2	-165.6	175.6	0	0	0	0	112.5
721	F	30.1	Very low	33.4	Very low	208 Å²	208	144.8 Å²	144.8	91%	0.912	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-86.6	130.1	160.7	-79.3	-85.3	0	0	0	110.1
722	D	33.1	Very low	33.4	Very low	148 Å²	148	144.6 Å²	144.6	79%	0.791	80%	0.801	S	S	*	*			trans	-114.5	131.5	166.3	-168.7	1.5	0	0	0	111.3
723	K	37.3	Very low	33.7	Very low	180 Å²	180	143.6 Å²	143.6	78%	0.783	80%	0.795	S	S	*	*			trans	-162.3	103	167.2	-84.4	-153	172.4	-156.6	0	109.4
724	N	38.2	Very low	33.5	Very low	149 Å²	149	145.2 Å²	145.2	80%	0.797	80%	0.797	S	S	*	*				-179.1	111.4	124.7	-91.2	-23.8	0	0	0	112.6
725	T	36.9	Very low	33.6	Very low	144 Å²	144	148 Å²	148	88%	0.883	81%	0.805	S	S	*	*			trans	-103.8	92.7	166.7	49.9	0	0	0	0	111.1
726	I	38.9	Very low	33.5	Very low	151 Å²	151	144.1 Å²	144.1	77%	0.774	80%	0.802	S	S	*	*			trans	-135.7	116	159	-57.4	-179	0	0	0	107
727	P	33	Very low	33.7	Very low	120 Å²	120	143.7 Å²	143.7	78%	0.779	81%	0.809	S	S	*	*			trans	-101.6	121.3	-169.7	34.9	-31.3	0	0	0	114.2
728	T	34.5	Very low	34.1	Very low	127 Å²	127	139.6 Å²	139.6	78%	0.779	80%	0.8	S	S	*	*			trans	-153.9	92	159.6	9.3	0	0	0	0	113.2
729	T	34.8	Very low	34.5	Very low	119 Å²	119	140.4 Å²	140.4	73%	0.73	80%	0.803	S	S	*	*			trans	22.1	106.2	141.8	53.4	0	0	0	0	120.5
730	T	32.5	Very low	34.8	Very low	141 Å²	141	137.7 Å²	137.7	87%	0.865	80%	0.795	S	S	*	*				41.8	119.9	124.3	58.8	0	0	0	0	120.8
731	G	33.8	Very low	35	Very low	85 Å²	85	136.9 Å²	136.9	88%	0.876	79%	0.79	S	S	*	*			trans	-177.6	107	161.6	0	0	0	0	0	113.2
732	S	33.3	Very low	35.1	Very low	122 Å²	122	132.4 Å²	132.4	85%	0.853	78%	0.78	S	S	*	*			trans	-87	171.8	-176.5	53.5	0	0	0	0	114.5
733	S	35.2	Very low	35	Very low	96 Å²	96	130.5 Å²	130.5	67%	0.671	77%	0.774	S	S	*	*			trans	103.1	97.3	142.6	-166.2	0	0	0	0	120
734	L	32.7	Very low	34.6	Very low	144 Å²	144	129.1 Å²	129.1	75%	0.754	77%	0.774	S	S	*	*				66.8	142.5	126.7	-72.9	154.9	0	0	0	123.3
735	D	33.2	Very low	34.1	Very low	143 Å²	143	127.4 Å²	127.4	77%	0.765	77%	0.769	S	S	*	*			trans	79.8	114.1	140.9	-68.6	-17.8	0	0	0	124.5
736	A	33.5	Very low	33.7	Very low	90 Å²	90	126.7 Å²	126.7	74%	0.744	76%	0.764	S	S	*	*				106.5	122.8	114.9	0	0	0	0	0	122.3
737	V	35.2	Very low	33.3	Very low	138 Å²	138	127.5 Å²	127.5	84%	0.836	77%	0.768	S	S	*	*			trans	86.5	125.1	147.5	174.3	0	0	0	0	119.7
738	P	41.2	Very low	33.1	Very low	117 Å²	117	127.4 Å²	127.4	76%	0.76	77%	0.766	S	S	*	*			trans	-114.3	-178	-179.5	43.9	-36.2	0	0	0	113.9
739	R	35.7	Very low	32.9	Very low	227 Å²	227	128.2 Å²	128.2	86%	0.857	77%	0.771	S	S	*	*			trans	-168.7	133.8	144.6	-117	179.2	177.5	146.2	1.8	117.2
740	T	36.2	Very low	32.6	Very low	115 Å²	115	128.6 Å²	128.6	71%	0.706	77%	0.773	S	S	*	*			trans	63.6	147.6	144.3	46.4	0	0	0	0	120.6
741	T	35.3	Very low	32.6	Very low	110 Å²	110	127.8 Å²	127.8	68%	0.675	77%	0.768	S	S	*	*			cis	-155.6	140.5	12.2	-10.8	0	0	0	0	113.7
742	T	33.3	Very low	32.4	Very low	115 Å²	115	130.6 Å²	130.6	71%	0.706	76%	0.763	S	S	*	*			trans	47.7	144.9	138.8	49.7	0	0	0	0	124.6
743	T	29.8	Very low	32.3	Very low	108 Å²	108	129.3 Å²	129.3	66%	0.663	76%	0.759	S	S	*	*			cis	178.4	151.2	-23.6	25.4	0	0	0	0	110.6
744	I	29.5	Very low	32.2	Very low	151 Å²	151	129.6 Å²	129.6	77%	0.774	76%	0.761	S	S	*	*			trans	64	145.7	137.4	-66.7	168.5	0	0	0	120
745	T	28.4	Very low	32.2	Very low	113 Å²	113	128.9 Å²	128.9	69%	0.693	76%	0.763	S	S	*	*			cis	-167.9	152.3	-24.8	-80	0	0	0	0	107.9
746	T	27.3	Very low	32.2	Very low	129 Å²	129	127.5 Å²	127.5	79%	0.791	76%	0.76	S	S	*	*			trans	-73.7	136.6	172.9	47.3	0	0	0	0	114.9
747	I	31.3	Very low	32.2	Very low	168 Å²	168	129.5 Å²	129.5	86%	0.862	76%	0.758	S	S	*	*			trans	-139.3	141.1	149.9	-60.6	-174.6	0	0	0	109.6
748	T	27.9	Very low	32.1	Very low	118 Å²	118	129.1 Å²	129.1	72%	0.724	75%	0.751	S	S	*	*			trans	-95.2	152.7	178.8	50.8	0	0	0	0	113.2
749	T	31.3	Very low	31.7	Very low	144 Å²	144	130.8 Å²	130.8	88%	0.883	75%	0.752	S	S	*	*				-169.5	159.5	125.5	22.4	0	0	0	0	113.8
750	T	29.2	Very low	31.7	Very low	126 Å²	126	124.8 Å²	124.8	77%	0.773	75%	0.745	S	S	*	*			trans	-88.6	160.1	-177.7	46.7	0	0	0	0	115.1
751	V	31.6	Very low	31.6	Very low	125 Å²	125	125.7 Å²	125.7	76%	0.758	75%	0.745	S	S	*	*				169.7	126.9	113.1	158.6	0	0	0	0	113.5
752	N	29.7	Very low	31.7	Very low	144 Å²	144	126.5 Å²	126.5	77%	0.77	75%	0.746	S	S	*	*			trans	20.2	117.8	152.8	-54	-5.5	0	0	0	124.6
753	A	31.4	Very low	31.8	Very low	95 Å²	95	126 Å²	126	79%	0.785	74%	0.742	S	S	*	*				42.8	132.3	118.4	0	0	0	0	0	123.7
754	S	32.4	Very low	32.3	Very low	101 Å²	101	127.3 Å²	127.3	71%	0.706	75%	0.745	S	S	*	*				162.8	142.9	98.1	60.8	0	0	0	0	116.1
755	T	32.8	Very low	32.4	Very low	129 Å²	129	126.7 Å²	126.7	79%	0.791	74%	0.743	S	S	*	*			trans	60.2	154.6	150.8	48.1	0	0	0	0	122.2
756	V	32.9	Very low	32.8	Very low	115 Å²	115	128.4 Å²	128.4	70%	0.697	75%	0.747	S	S	*	*			cis	-173.6	153.6	-33.2	104.8	0	0	0	0	111
757	N	33.2	Very low	33.1	Very low	131 Å²	131	126.8 Å²	126.8	70%	0.701	74%	0.741	S	S	*	*			trans	65.1	160.3	166.5	-70.6	-2.8	0	0	0	120.1
758	N	33.1	Very low	33.4	Very low	130 Å²	130	123.4 Å²	123.4	70%	0.695	73%	0.73	S	S	*	*			cis	-170.8	-175.3	-27.5	-97.6	-11.2	0	0	0	110.7
759	I	34.7	Very low	33.6	Very low	153 Å²	153	124.7 Å²	124.7	79%	0.785	73%	0.731	S	S	*	*			trans	86.1	101.7	160.6	-52.7	-177.3	0	0	0	115.6
760	S	34.3	Very low	33.7	Very low	100 Å²	100	124.2 Å²	124.2	70%	0.699	72%	0.723	S	S	*	*				78.7	150.8	80.1	96.6	0	0	0	0	115.6
761	N	34.3	Very low	33.8	Very low	134 Å²	134	126.5 Å²	126.5	72%	0.717	73%	0.725	S	S	*	*			cis	-165.7	-172.8	6.8	-140.1	46.5	0	0	0	112.8
762	D	37.3	Very low	33.9	Very low	128 Å²	128	127.8 Å²	127.8	68%	0.684	73%	0.727	S	S	*	*			trans	74.5	152.8	154	-60.5	-13.4	0	0	0	122.1
763	T	36.3	Very low	34	Very low	103 Å²	103	128 Å²	128	63%	0.632	72%	0.723	S	S	*	*			cis	-165.1	166.8	-30.4	36.6	0	0	0	0	111.1
764	N	38.8	Very low	34.1	Very low	136 Å²	136	127.5 Å²	127.5	73%	0.727	72%	0.719	S	S	*	*			trans	72.3	144.1	160.6	-56.9	-53	0	0	0	117
765	N	33.2	Very low	34.1	Very low	138 Å²	138	127.9 Å²	127.9	74%	0.738	71%	0.712	S	S	*	*			cis	-163.2	177.3	-4.9	-125.7	-43.6	0	0	0	107.3
766	I	35.6	Very low	34	Very low	150 Å²	150	126 Å²	126	77%	0.769	71%	0.705	S	S	*	*			cis	-145.5	-136.9	11.1	-159.9	160.6	0	0	0	111.9
767	S	34.3	Very low	34.1	Very low	94 Å²	94	129.4 Å²	129.4	66%	0.657	71%	0.713	S	S	*	*			trans	-147.5	-175.1	-165.9	66.3	0	0	0	0	111.6
768	P	38	Very low	34	Very low	98 Å²	98	132.3 Å²	132.3	64%	0.636	72%	0.722	S	S	*	*			cis	-147	176.1	9.1	45.2	-26	0	0	0	119.9
769	I	31.1	Very low	34	Very low	144 Å²	144	134.2 Å²	134.2	74%	0.738	73%	0.727	S	S	*	*			trans	69.3	126.9	145.2	-75.4	156.5	0	0	0	119
770	N	33.1	Very low	33.8	Very low	135 Å²	135	136.5 Å²	136.5	72%	0.722	73%	0.731	S	S	*	*			cis	-152.6	144.4	-7.5	-110.3	-2.8	0	0	0	112.8
771	Q	31.6	Very low	33.7	Very low	173 Å²	173	139.1 Å²	139.1	81%	0.808	73%	0.733	S	S	*	*			trans	-123.3	166.1	157.5	-75.3	-179.2	-56.4	0	0	108.8
772	L	33.5	Very low	33.6	Very low	153 Å²	153	139.3 Å²	139.3	80%	0.801	74%	0.739	S	S	*	*			trans	-163.5	139.1	153.2	-87.3	120.1	0	0	0	106.9
773	H	31.9	Very low	33.3	Very low	149 Å²	149	139.5 Å²	139.5	69%	0.69	74%	0.74	S	S	*	*			cis	-173.7	172	-25.5	-113	-54.6	0	0	0	104.6	D775	H773-D775 IonicContact CE1-OD2 2.7Å; H773-D775 PolarHBondContact CE1-OD2 2.85Å; H773-D775 IonicContact ND1-OD2 3.27Å; H773-D775 PolarHBondContact ND1-OD2 2.84Å
774	A	33.7	Very low	33.3	Very low	84 Å²	84	142.8 Å²	142.8	69%	0.694	75%	0.753	S	S	*	*			cis	-166.2	166.5	-2.5	0	0	0	0	0	107.4
775	D	32	Very low	33.1	Very low	108 Å²	108	143.9 Å²	143.9	58%	0.578	76%	0.76	S	S	*	*			cis	-162.3	140.4	-32.1	-108.3	-72.4	0	0	0	106.6	H773	H773-D775 IonicContact CE1-OD2 2.7Å; H773-D775 PolarHBondContact CE1-OD2 2.85Å; H773-D775 IonicContact ND1-OD2 3.27Å; H773-D775 PolarHBondContact ND1-OD2 2.84Å
776	S	30.8	Very low	33	Very low	91 Å²	91	145.8 Å²	145.8	64%	0.636	76%	0.761	S	S	*	*				48.3	124.2	97.9	86.5	0	0	0	0	115.5
777	H	34.8	Very low	32.6	Very low	186 Å²	186	149.1 Å²	149.1	86%	0.861	76%	0.764	S	S	*	*			cis	60.7	124.4	42.8	-95.9	-62.7	0	0	0	115.7
778	Q	32.3	Very low	32.4	Very low	192 Å²	192	149.1 Å²	149.1	90%	0.897	76%	0.764	S	S	*	*			trans	-145.4	167.8	153.3	-115.1	179	31.9	0	0	112.5
779	Q	33.3	Very low	32	Very low	170 Å²	170	149.8 Å²	149.8	79%	0.794	77%	0.771	S	S	*	*			trans	-155.8	160.1	-158.6	-176.8	-177.1	26.1	0	0	108.8
780	F	28.9	Very low	31.9	Very low	200 Å²	200	147.5 Å²	147.5	88%	0.877	77%	0.774	S	S	*	*			trans	-137.4	152	167	-121.4	-92.9	0	0	0	112.8
781	Q	33.7	Very low	31.6	Very low	156 Å²	156	147.3 Å²	147.3	73%	0.729	78%	0.783	S	S	*	*			trans	-102.3	172.3	175.2	-62.3	173.4	-35.9	0	0	109.5
782	T	32	Very low	31.5	Very low	138 Å²	138	144 Å²	144	85%	0.847	78%	0.779	S	S	*	*				-147.6	-179.5	85.9	38.7	0	0	0	0	113.8
783	N	30.4	Very low	31.2	Very low	132 Å²	132	144.1 Å²	144.1	71%	0.706	79%	0.787	S	S	*	*			trans	-85.2	162.2	-169	-39	-49.9	0	0	0	114
784	D	37	Very low	31	Very low	171 Å²	171	141.6 Å²	141.6	91%	0.914	79%	0.786	S	S	*	*				-158.5	158.4	112.8	-109.6	-20	0	0	0	111.5
785	D	33.7	Very low	30.8	Very low	160 Å²	160	143.1 Å²	143.1	86%	0.856	79%	0.791	S	S	*	*			trans	-111.3	170.3	-162.3	-123.3	-38.9	0	0	0	114.3
786	K	30.8	Very low	30.6	Very low	177 Å²	177	146.7 Å²	146.7	77%	0.77	80%	0.804	S	S	*	*			trans	75.2	102.1	155	-170.6	-165.5	-176.8	-177.7	0	120.4
787	W	27.3	Very low	31.1	Very low	220 Å²	220	151.6 Å²	151.6	83%	0.833	81%	0.809	S	S	*	*				-160.9	149.6	106.8	-168.3	-92.3	0	0	0	110.9
788	S	30.9	Very low	31.8	Very low	95 Å²	95	148.6 Å²	148.6	66%	0.664	80%	0.804	S	S	*	*			trans	-133.3	161.7	179.7	62.3	0	0	0	0	112.2
789	S	28.2	Very low	33.2	Very low	111 Å²	111	145.7 Å²	145.7	78%	0.776	80%	0.795	S	S	*	*			trans	66.7	100.7	-179.1	69.3	0	0	0	0	117
790	A	30.3	Very low	35.1	Very low	97 Å²	97	140.3 Å²	140.3	80%	0.802	77%	0.769	S	S	*	*			trans	-148.4	97.9	152.7	0	0	0	0	0	108.1	S792	A790-S792 PolarHBondContact O-N 3.03Å
791	S	27.2	Very low	37.7	Very low	130 Å²	130	134.5 Å²	134.5	91%	0.909	75%	0.747	S	S	*	*			trans	-77.4	108.8	-176.6	52.8	0	0	0	0	111.4
792	S	29.1	Very low	40.1	Very low	105 Å²	105	128 Å²	128	73%	0.734	72%	0.717	S	S	*	*			trans	-141.2	147.9	163.5	60.4	0	0	0	0	110.2	A790 S794	A790-S792 PolarHBondContact O-N 3.03Å; S792-S794 PolarHBondContact O-N 3.02Å
793	T	26.3	Very low	42.9	Very low	155 Å²	155	122.3 Å²	122.3	95%	0.951	68%	0.682	S	S	*	*			trans	-78.2	86.7	-167.7	45.1	0	0	0	0	112.5
794	S	28	Very low	45.6	Very low	96 Å²	96	117.4 Å²	117.4	67%	0.671	66%	0.655	S	S	*	*			trans	-99.6	120.3	161.2	57.4	0	0	0	0	109.6	S792 Q796	S792-S794 PolarHBondContact O-N 3.02Å; S794-Q796 PolarHBondContact O-N 3.21Å
795	S	29.5	Very low	48.1	Very low	116 Å²	116	110.1 Å²	110.1	81%	0.811	62%	0.617	S	S	*	*			trans	-77.2	102.7	173.1	-171.6	0	0	0	0	108.8	R797	S795-R797 PolarHBondContact O-N 3.46Å
796	Q	29.2	Very low	50.7	Low	182 Å²	182	102.9 Å²	102.9	85%	0.85	58%	0.58	S	S	*	*			trans	-67.5	88.7	167.2	-75	-173.1	-52.2	0	0	108.9	S794 T798	S794-Q796 PolarHBondContact O-N 3.21Å; Q796-T798 PolarHBondContact O-N 3.07Å
797	R	40.1	Very low	53.5	Low	195 Å²	195	95 Å²	95	74%	0.736	55%	0.546	S	S	*	.			trans	-67.9	97.8	174.2	-163	-179.4	-147.3	140.3	6.5	108.2	S795	S795-R797 PolarHBondContact O-N 3.46Å
798	T	49.1	Very low	56.4	Low	123 Å²	123	85.5 Å²	85.5	76%	0.755	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-57	137.7	-179.7	50.4	0	0	0	0	111.2	Q796 E800	Q796-T798 PolarHBondContact O-N 3.07Å; T798-E800 PolarHBondContact O-N 3.17Å
799	D	62.9	Low	59.1	Low	131 Å²	131	81.5 Å²	81.5	70%	0.701	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-54.5	121.9	176.8	-75.5	-40.8	0	0	0	111.1
800	E	73.3	Confident	61.4	Low	57 Å²	57	76.8 Å²	76.8	27%	0.266	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-84.8	125.5	-179.8	177.2	163.7	-149.4	0	0	110.8	T798 V802 G824 T825 A826 T827	T798-E800 PolarHBondContact O-N 3.17Å; E800-V802 PolarHBondContact O-N 2.84Å; E800-G824 VanDerWaalsContact CD-CA 3.48Å; E800-G824 WeakPolarHBondContact OE1-CA 3.41Å; E800-T825 PolarHBondContact OE1-N 3.39Å; E800-A826 HydrophobicContact CG-CB 4.41Å; E800-A826 WeakPolarHBondContact OE1-CA 3.37Å; E800-A826 PolarHBondContact OE1-N 3.11Å; E800-T827 VanDerWaalsContact CD-OG1 3.29Å; E800-T827 WeakPolarHBondContact OE1-CB 3.4Å; E800-T827 PolarHBondContact OE1-N 3.41Å; E800-T827 PolarHBondContact OE1-OG1 2.83Å; E800-T827 VanDerWaalsContact OE2-CG2 3.31Å; E800-T827 WeakPolarHBondContact OE2-CG2 3.4Å; E800-T827 PolarHBondContact OE2-OG1 2.79Å
801	I	82.8	Confident	63.4	Low	78 Å²	78	72.4 Å²	72.4	40%	0.4	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-69	128.1	168.3	-57.1	177.5	0	0	0	107.7	W638 T825	W638-I801 HydrophobicContact CB-CG2 3.37Å; W638-I801 HydrophobicContact CD2-CG2 4.01Å; W638-I801 HydrophobicContact CE3-CG2 4.36Å; W638-I801 HydrophobicContact CG-CG2 3.56Å; I801-T825 HydrophobicContact CB-CG2 4.29Å; I801-T825 HydrophobicContact CG2-CG2 4.25Å; I801-T825 WeakPolarHBondContact O-CB 3.48Å; I801-T825 WeakPolarHBondContact O-CG2 3.49Å; I801-T825 PolarHBondContact O-N 2.9Å; I801-T825 PolarHBondContact O-OG1 3.09Å
802	V	84.8	Confident	65.4	Low	19 Å²	19	67.3 Å²	67.3	12%	0.115	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.5	178.2	174.2	0	0	0	0	109.2	W638 E800 Y823 R831	W638-V802 VanDerWaalsContact CA-O 3.31Å; W638-V802 WeakPolarHBondContact CA-O 3.38Å; W638-V802 WeakPolarHBondContact CB-O 3.46Å; E800-V802 PolarHBondContact O-N 2.84Å; V802-Y823 CarbonylContact C-O 3.55Å; V802-Y823 WeakPolarHBondContact CA-O 3.5Å; V802-R831 HydrophobicContact CG1-CG 4.24Å
803	V	89.1	Confident	67.8	Low	18 Å²	18	62.7 Å²	62.7	11%	0.109	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	123.7	174.6	-176.3	0	0	0	0	108.7	L637 G822 Y823 T825	L637-V803 HydrophobicContact CB-CG1 4.43Å; L637-V803 CarbonylContact O-C 3.2Å; L637-V803 VanDerWaalsContact O-CA 3.27Å; L637-V803 WeakPolarHBondContact O-CA 3.27Å; V803-G822 CarbonylContact O-C 3.58Å; V803-G822 WeakPolarHBondContact O-CA 3.34Å; V803-Y823 HydrophobicContact CB-CD1 3.99Å; V803-Y823 HydrophobicContact CB-CD2 4.47Å; V803-Y823 HydrophobicContact CB-CE1 3.57Å; V803-Y823 HydrophobicContact CB-CE2 4.11Å; V803-Y823 HydrophobicContact CB-CG 4.42Å; V803-Y823 HydrophobicContact CG1-CD1 4.42Å; V803-Y823 HydrophobicContact CG1-CE1 3.62Å; V803-Y823 HydrophobicContact CG2-CE1 4.25Å; V803-Y823 HydrophobicContact CG2-CE2 3.93Å; V803-Y823 PolarHBondContact N-O 3.47Å; V803-Y823 PolarHBondContact O-N 2.91Å; V803-T825 HydrophobicContact CG2-CG2 3.6Å
804	F	88.8	Confident	70.4	Confident	30 Å²	30	59.2 Å²	59.2	13%	0.132	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	143.5	174.6	170	-87	0	0	0	111.3	H619 V632 L637 P639 G806 L807 V820	H619-F804 HydrophobicContact CB-CZ 4.2Å; H619-F804 AromaticContact CD2-CE1 3.27Å; H619-F804 WeakPolarHBondContact CD2-CE1 3.12Å; H619-F804 AromaticContact CD2-CZ 3.57Å; H619-F804 AromaticContact NE2-CE1 3.7Å; V632-F804 HydrophobicContact CB-CE2 4.24Å; V632-F804 HydrophobicContact CG1-CD2 3.98Å; V632-F804 HydrophobicContact CG1-CE2 3.84Å; L637-F804 PolarHBondContact O-N 2.99Å; P639-F804 HydrophobicContact CG-CB 3.63Å; P639-F804 HydrophobicContact CG-CD2 3.89Å; P639-F804 HydrophobicContact CG-CG 3.99Å; F804-G806 WeakPolarHBondContact CE2-O 3.23Å; F804-L807 HydrophobicContact CE2-CB 4.1Å; F804-L807 HydrophobicContact CZ-CB 4.08Å; F804-V820 HydrophobicContact CD2-CG1 3.74Å; F804-V820 HydrophobicContact CE2-CG1 3.94Å
805	T	88	Confident	73.1	Confident	18 Å²	18	54.6 Å²	54.6	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	-25.8	176.7	-49	0	0	0	0	112.2	I63 Y821 W830 F1177	I63-T805 HydrophobicContact CG2-CG2 4.41Å; T805-Y821 HydrophobicContact CG2-CD2 4.36Å; T805-Y821 HydrophobicContact CG2-CE2 3.79Å; T805-Y821 PolarHBondContact N-O 2.77Å; T805-W830 HydrophobicContact CG2-CH2 4.17Å; T805-W830 HydrophobicContact CG2-CZ3 4.19Å; T805-W830 WeakPolarHBondContact OG1-CZ3 3.2Å; T805-F1177 HydrophobicContact CG2-CE2 4.31Å; T805-F1177 HydrophobicContact CG2-CZ 4.31Å
806	G	88.4	Confident	76	Confident	8 Å²	8	50.2 Å²	50.2	8%	0.082	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	162.9	170.9	0	0	0	0	0	115.6	F804 V820 Y821	F804-G806 WeakPolarHBondContact CE2-O 3.23Å; G806-V820 WeakPolarHBondContact O-CA 3.41Å; G806-Y821 PolarHBondContact N-O 2.99Å; G806-Y821 WeakPolarHBondContact O-CD1 3.23Å; G806-Y821 PolarHBondContact O-N 3.44Å
807	L	90.6	Very high	79	Confident	11 Å²	11	41.8 Å²	41.8	6%	0.058	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.3	170.3	167.1	68.4	0	0	0	106.9	H619 Q621 V630 V632 L642 F804 A818 A819 V820	H619-L807 WeakPolarHBondContact O-CD2 3.4Å; Q621-L807 HydrophobicContact CG-CD2 4.2Å; Q621-L807 HydrophobicContact CG-CG 4.14Å; V630-L807 HydrophobicContact CG2-CD1 4.26Å; V630-L807 HydrophobicContact CG2-CD2 4.36Å; V632-L807 HydrophobicContact CG2-CD1 4.2Å; V632-L807 HydrophobicContact CG2-CD2 4.12Å; L642-L807 HydrophobicContact CD1-CD1 4.34Å; F804-L807 HydrophobicContact CE2-CB 4.1Å; F804-L807 HydrophobicContact CZ-CB 4.08Å; L807-A818 HydrophobicContact CD1-CB 4.44Å; L807-A819 WeakPolarHBondContact CA-O 3.31Å; L807-V820 HydrophobicContact CD1-CG2 3.75Å
808	V	87.5	Confident	81.4	Confident	20 Å²	20	32.5 Å²	32.5	12%	0.121	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.9	177.9	-66.8	0	0	0	0	111.8	L65 A818 A819 Y821	L65-V808 HydrophobicContact CD2-CG2 3.83Å; L65-V808 HydrophobicContact CG-CG2 4.41Å; V808-A818 WeakPolarHBondContact O-CA 3.34Å; V808-A819 HydrophobicContact CG2-CB 4.08Å; V808-A819 PolarHBondContact N-O 3.27Å; V808-A819 PolarHBondContact O-N 2.81Å; V808-Y821 HydrophobicContact CG1-CE1 4.15Å; V808-Y821 HydrophobicContact CG2-CE1 4.37Å
809	T	87.4	Confident	83.4	Confident	12 Å²	12	26.7 Å²	26.7	7%	0.074	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	169.9	164.6	50.3	0	0	0	0	108.5	W67 Q621 A623 V630 A815 A818	W67-T809 VanDerWaalsContact CD1-O 3.31Å; W67-T809 VanDerWaalsContact NE1-C 3.29Å; W67-T809 PolarHBondContact NE1-O 3.42Å; Q621-T809 HydrophobicContact CB-CG2 3.83Å; Q621-T809 HydrophobicContact CG-CG2 4.4Å; A623-T809 HydrophobicContact CB-CG2 4.36Å; V630-T809 HydrophobicContact CG2-CG2 4.04Å; T809-A815 HydrophobicContact CG2-CB 4.49Å; T809-A818 HydrophobicContact CG2-CB 3.93Å
810	E	78	Confident	84.7	Confident	11 Å²	11	21 Å²	21	5%	0.051	12%	0.115	C	C	.	.			trans	-57	144.7	166.4	-163.9	-169.2	138.5	0	0	110.6	W67 N71 A815 Y889	W67-E810 HydrophobicContact CD2-CB 4.24Å; W67-E810 HydrophobicContact CD2-CG 4.38Å; W67-E810 HydrophobicContact CE3-CB 4.39Å; W67-E810 HydrophobicContact CE3-CG 4.25Å; N71-E810 PolarHBondContact N-OE1 3.28Å; E810-A815 HydrophobicContact CB-CB 3.54Å; E810-Y889 WeakPolarHBondContact OE1-CE2 3.08Å; E810-Y889 PolarHBondContact OE1-OH 3.06Å
811	P	71	Confident	85.5	Confident	5 Å²	5	19.9 Å²	19.9	3%	0.032	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-51	164.6	172.2	-31.6	37.9	0	0	0	115	W67 R129 G813 D1183	W67-P811 HydrophobicContact CB-CG 4.32Å; R129-P811 HydrophobicContact CB-CB 4.29Å; P811-G813 PolarHBondContact O-N 2.88Å; P811-D1183 WeakPolarHBondContact CB-OD1 3.45Å
812	G	69	Low	85.9	Confident	24 Å²	24	16.2 Å²	16.2	25%	0.247	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	68.6	-3.4	176.5	0	0	0	0	0	115.8	R814	G812-R814 PolarHBondContact O-N 3.13Å
813	G	79.1	Confident	86	Confident	7 Å²	7	18.8 Å²	18.8	7%	0.072	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	68.6	16.2	179.1	0	0	0	0	0	114.6	I622 A623 N624 R625 P811	I622-G813 WeakPolarHBondContact O-CA 3.14Å; A623-G813 CarbonylContact C-O 3.28Å; A623-G813 WeakPolarHBondContact CA-O 3.06Å; N624-G813 PolarHBondContact N-O 3.3Å; N624-G813 VanDerWaalsContact N-O 3.16Å; R625-G813 PolarHBondContact N-O 2.95Å; P811-G813 PolarHBondContact O-N 2.88Å
814	R	82.6	Confident	85.8	Confident	82 Å²	82	18 Å²	18	31%	0.309	9%	0.093	S	C	.	.			trans	-87.3	-8.5	177.1	-62.6	174.4	174.9	163.6	-7.3	113	E70 R625 G812 Y889	E70-R814 IonicContact OE2-CZ 3.57Å; E70-R814 IonicContact OE2-NH1 3.49Å; E70-R814 PolarHBondContact OE2-NH1 3.38Å; R625-R814 HydrophobicContact CG-CG 4.41Å; G812-R814 PolarHBondContact O-N 3.13Å; R814-Y889 HydrophobicContact CB-CD2 4.03Å; R814-Y889 HydrophobicContact CB-CE1 4.29Å; R814-Y889 HydrophobicContact CB-CE2 3.41Å; R814-Y889 VanDerWaalsContact CB-CE2 3.41Å; R814-Y889 HydrophobicContact CG-CE1 4.41Å; R814-Y889 HydrophobicContact CG-CE2 4.34Å
815	A	84.8	Confident	85.6	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.			trans	-47.8	145	-176.3	0	0	0	0	0	114.5	A623 N624 T809 E810	A623-A815 HydrophobicContact CB-CB 4.13Å; N624-A815 PolarHBondContact N-O 3.23Å; T809-A815 HydrophobicContact CG2-CB 4.49Å; E810-A815 HydrophobicContact CB-CB 3.54Å
816	M	90.4	Very high	85.3	Confident	24 Å²	24	22.7 Å²	22.7	12%	0.118	13%	0.134	C	C	.	.	S	Bend	trans	-110.8	4.2	161.3	-69.2	-61.1	-58.6	0	0	113	N624 F837 R838 I843 A886	N624-M816 HydrophobicContact CB-SD 3.85Å; M816-F837 HydrophobicContact CE-CB 4.22Å; M816-F837 PolarHBondContact O-N 3.27Å; M816-R838 HydrophobicContact CB-CB 4.11Å; M816-R838 HydrophobicContact CE-CB 4.15Å; M816-I843 HydrophobicContact CE-CB 3.82Å; M816-I843 HydrophobicContact CE-CD1 3.99Å; M816-I843 HydrophobicContact CE-CG1 4.42Å; M816-I843 HydrophobicContact CE-CG2 3.93Å; M816-A886 HydrophobicContact CE-CB 3.78Å; M816-A886 HydrophobicContact SD-CB 3.9Å
817	A	90.5	Very high	85	Confident	4 Å²	4	25.4 Å²	25.4	3%	0.033	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146	179	0	0	0	0	0	112	W67 N99 V835 D836	W67-A817 HydrophobicContact CH2-CB 4.39Å; N99-A817 HydrophobicContact CB-CB 4.03Å; A817-V835 CarbonylContact C-O 3.58Å; A817-V835 VanDerWaalsContact CA-O 3.31Å; A817-V835 WeakPolarHBondContact CA-O 3.39Å; A817-D836 HydrophobicContact CB-CB 3.93Å
818	A	91.7	Very high	84.6	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.1	173.2	0	0	0	0	0	109.8	V630 L807 V808 T809 V834 V835 F837	V630-A818 HydrophobicContact CB-CB 4.46Å; V630-A818 HydrophobicContact CG1-CB 4.17Å; V630-A818 HydrophobicContact CG2-CB 4Å; L807-A818 HydrophobicContact CD1-CB 4.44Å; V808-A818 WeakPolarHBondContact O-CA 3.34Å; T809-A818 HydrophobicContact CG2-CB 3.93Å; A818-V834 WeakPolarHBondContact O-CA 3.26Å; A818-V835 PolarHBondContact N-O 3.26Å; A818-V835 PolarHBondContact O-N 3.16Å; A818-F837 HydrophobicContact CB-CE2 4.43Å
819	A	90.3	Very high	84.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.3	178.7	0	0	0	0	0	110.7	L807 V808 V832 V834	L807-A819 WeakPolarHBondContact CA-O 3.31Å; V808-A819 HydrophobicContact CG2-CB 4.08Å; V808-A819 PolarHBondContact N-O 3.27Å; V808-A819 PolarHBondContact O-N 2.81Å; A819-V832 HydrophobicContact CB-CG1 4.06Å; A819-V834 HydrophobicContact CB-CG2 4.16Å
820	V	91.4	Very high	84.4	Confident	11 Å²	11	33.1 Å²	33.1	7%	0.067	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.4	171.6	178.2	0	0	0	0	108.4	V632 L642 L657 F804 G806 L807 A833	V632-V820 HydrophobicContact CG2-CG2 3.79Å; L642-V820 HydrophobicContact CD1-CG2 3.77Å; L657-V820 HydrophobicContact CD1-CG1 4.12Å; F804-V820 HydrophobicContact CD2-CG1 3.74Å; F804-V820 HydrophobicContact CE2-CG1 3.94Å; G806-V820 WeakPolarHBondContact O-CA 3.41Å; L807-V820 HydrophobicContact CD1-CG2 3.75Å; V820-A833 PolarHBondContact N-O 3.07Å; V820-A833 PolarHBondContact O-N 2.9Å
821	Y	90.3	Very high	85	Confident	34 Å²	34	34 Å²	34	13%	0.133	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.8	-178.2	67.2	-88.9	0	0	0	112.8	I63 L65 T805 G806 V808 R831	I63-Y821 HydrophobicContact CG2-CD2 3.74Å; I63-Y821 HydrophobicContact CG2-CE2 3.64Å; L65-Y821 HydrophobicContact CB-CE1 4.5Å; L65-Y821 HydrophobicContact CD2-CD1 3.96Å; L65-Y821 HydrophobicContact CD2-CE1 4.37Å; T805-Y821 HydrophobicContact CG2-CD2 4.36Å; T805-Y821 HydrophobicContact CG2-CE2 3.79Å; T805-Y821 PolarHBondContact N-O 2.77Å; G806-Y821 PolarHBondContact N-O 2.99Å; G806-Y821 WeakPolarHBondContact O-CD1 3.23Å; G806-Y821 PolarHBondContact O-N 3.44Å; V808-Y821 HydrophobicContact CG1-CE1 4.15Å; V808-Y821 HydrophobicContact CG2-CE1 4.37Å; Y821-R831 WeakPolarHBondContact CA-O 3.48Å
822	G	89.5	Confident	85.9	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.2	178.1	-170.2	0	0	0	0	0	112.7	V803 W830 R831	V803-G822 CarbonylContact O-C 3.58Å; V803-G822 WeakPolarHBondContact O-CA 3.34Å; G822-W830 CarbonylContact O-C 3.58Å; G822-W830 WeakPolarHBondContact O-CA 3.17Å; G822-R831 PolarHBondContact N-O 2.82Å; G822-R831 VanDerWaalsContact N-O 3.16Å; G822-R831 PolarHBondContact O-N 3.47Å
823	Y	87.4	Confident	86.9	Confident	73 Å²	73	32.8 Å²	32.8	29%	0.286	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.8	-176	66.3	-83.7	0	0	0	113.4	V802 V803 R829 W830	V802-Y823 CarbonylContact C-O 3.55Å; V802-Y823 WeakPolarHBondContact CA-O 3.5Å; V803-Y823 HydrophobicContact CB-CD1 3.99Å; V803-Y823 HydrophobicContact CB-CD2 4.47Å; V803-Y823 HydrophobicContact CB-CE1 3.57Å; V803-Y823 HydrophobicContact CB-CE2 4.11Å; V803-Y823 HydrophobicContact CB-CG 4.42Å; V803-Y823 HydrophobicContact CG1-CD1 4.42Å; V803-Y823 HydrophobicContact CG1-CE1 3.62Å; V803-Y823 HydrophobicContact CG2-CE1 4.25Å; V803-Y823 HydrophobicContact CG2-CE2 3.93Å; V803-Y823 PolarHBondContact N-O 3.47Å; V803-Y823 PolarHBondContact O-N 2.91Å; Y823-R829 CarbonylContact C-O 3.57Å; Y823-R829 WeakPolarHBondContact CA-O 3.2Å; Y823-W830 AromaticContact CD1-CH2 3.69Å; Y823-W830 HydrophobicContact CD1-CH2 3.69Å; Y823-W830 HydrophobicContact CD1-CZ2 4.27Å; Y823-W830 AromaticContact CD1-CZ3 3.85Å; Y823-W830 HydrophobicContact CD1-CZ3 3.85Å; Y823-W830 HydrophobicContact CE1-CH2 4.47Å; Y823-W830 HydrophobicContact CG-CH2 4.38Å; Y823-W830 HydrophobicContact CG-CZ3 4.43Å
824	G	85.5	Confident	87.6	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	131	178.5	0	0	0	0	0	112.9	E800 A826 Q828 R829	E800-G824 VanDerWaalsContact CD-CA 3.48Å; E800-G824 WeakPolarHBondContact OE1-CA 3.41Å; G824-A826 VanDerWaalsContact C-N 3.33Å; G824-A826 PolarHBondContact O-N 3.2Å; G824-Q828 WeakPolarHBondContact O-CA 3.11Å; G824-Q828 PolarHBondContact O-N 2.89Å; G824-R829 PolarHBondContact N-O 3.05Å
825	T	84	Confident	88.1	Confident	61 Å²	61	28.6 Å²	28.6	37%	0.374	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-27.3	-177.8	50	0	0	0	0	114.6	E800 I801 V803 Q828	E800-T825 PolarHBondContact OE1-N 3.39Å; I801-T825 HydrophobicContact CB-CG2 4.29Å; I801-T825 HydrophobicContact CG2-CG2 4.25Å; I801-T825 WeakPolarHBondContact O-CB 3.48Å; I801-T825 WeakPolarHBondContact O-CG2 3.49Å; I801-T825 PolarHBondContact O-N 2.9Å; I801-T825 PolarHBondContact O-OG1 3.09Å; V803-T825 HydrophobicContact CG2-CG2 3.6Å; T825-Q828 PolarHBondContact O-NE2 2.76Å
826	A	81.9	Confident	88.5	Confident	87 Å²	87	28.8 Å²	28.8	72%	0.719	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-29.7	-175.2	0	0	0	0	0	112.8	E800 G824	E800-A826 HydrophobicContact CG-CB 4.41Å; E800-A826 WeakPolarHBondContact OE1-CA 3.37Å; E800-A826 PolarHBondContact OE1-N 3.11Å; G824-A826 VanDerWaalsContact C-N 3.33Å; G824-A826 PolarHBondContact O-N 3.2Å
827	T	81.4	Confident	88.6	Confident	64 Å²	64	27.7 Å²	27.7	39%	0.393	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-17.5	-179.5	63	0	0	0	0	113.3	E800 R829	E800-T827 VanDerWaalsContact CD-OG1 3.29Å; E800-T827 WeakPolarHBondContact OE1-CB 3.4Å; E800-T827 PolarHBondContact OE1-N 3.41Å; E800-T827 PolarHBondContact OE1-OG1 2.83Å; E800-T827 VanDerWaalsContact OE2-CG2 3.31Å; E800-T827 WeakPolarHBondContact OE2-CG2 3.4Å; E800-T827 PolarHBondContact OE2-OG1 2.79Å; T827-R829 PolarHBondContact O-N 3.42Å; T827-R829 PolarHBondContact OG1-N 3.08Å
828	Q	82.2	Confident	88.6	Confident	102 Å²	102	33.7 Å²	33.7	48%	0.477	17%	0.168	S	C	.	.			trans	54.1	28.9	-172.2	-59.5	-63.9	-42	0	0	113.1	G824 T825	G824-Q828 WeakPolarHBondContact O-CA 3.11Å; G824-Q828 PolarHBondContact O-N 2.89Å; T825-Q828 PolarHBondContact O-NE2 2.76Å
829	R	83.2	Confident	88.5	Confident	95 Å²	95	38.1 Å²	38.1	36%	0.358	20%	0.195	S	C	.	.			trans	-96.4	131.1	179.4	-67.8	175.3	-176.6	-163.6	-5.2	111.3	Y823 G824 T827	Y823-R829 CarbonylContact C-O 3.57Å; Y823-R829 WeakPolarHBondContact CA-O 3.2Å; G824-R829 PolarHBondContact N-O 3.05Å; T827-R829 PolarHBondContact O-N 3.42Å; T827-R829 PolarHBondContact OG1-N 3.08Å
830	W	88.6	Confident	88.5	Confident	8 Å²	8	39 Å²	39	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	145.4	167	-68.4	103.1	0	0	0	111.7	F55 K60 I63 T805 G822 Y823	F55-W830 HydrophobicContact CB-CB 4.1Å; F55-W830 HydrophobicContact CD2-CB 3.75Å; F55-W830 WeakPolarHBondContact CD2-O 3.37Å; F55-W830 HydrophobicContact CG-CB 4.12Å; F55-W830 PolarHBondContact N-O 2.92Å; K60-W830 PolarHBondContact O-NE1 2.84Å; I63-W830 HydrophobicContact CB-CD2 4.14Å; I63-W830 HydrophobicContact CB-CE3 4.18Å; I63-W830 HydrophobicContact CB-CH2 4.16Å; I63-W830 HydrophobicContact CB-CZ2 4.1Å; I63-W830 HydrophobicContact CB-CZ3 4.2Å; I63-W830 HydrophobicContact CD1-CB 4.04Å; I63-W830 HydrophobicContact CD1-CD2 3.71Å; I63-W830 HydrophobicContact CD1-CE3 3.83Å; I63-W830 HydrophobicContact CD1-CG 3.8Å; I63-W830 HydrophobicContact CG2-CD2 4.19Å; I63-W830 HydrophobicContact CG2-CE3 3.72Å; I63-W830 HydrophobicContact CG2-CH2 3.58Å; I63-W830 HydrophobicContact CG2-CZ2 4.04Å; I63-W830 HydrophobicContact CG2-CZ3 3.4Å; T805-W830 HydrophobicContact CG2-CH2 4.17Å; T805-W830 HydrophobicContact CG2-CZ3 4.19Å; T805-W830 WeakPolarHBondContact OG1-CZ3 3.2Å; G822-W830 CarbonylContact O-C 3.58Å; G822-W830 WeakPolarHBondContact O-CA 3.17Å; Y823-W830 AromaticContact CD1-CH2 3.69Å; Y823-W830 HydrophobicContact CD1-CH2 3.69Å; Y823-W830 HydrophobicContact CD1-CZ2 4.27Å; Y823-W830 AromaticContact CD1-CZ3 3.85Å; Y823-W830 HydrophobicContact CD1-CZ3 3.85Å; Y823-W830 HydrophobicContact CE1-CH2 4.47Å; Y823-W830 HydrophobicContact CG-CH2 4.38Å; Y823-W830 HydrophobicContact CG-CZ3 4.43Å
831	R	89.7	Confident	88.4	Confident	29 Å²	29	38.9 Å²	38.9	11%	0.109	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.7	166.6	73.4	177.3	-160	176.3	3.6	110.9	V52 F53 Y54 L657 V802 Y821 G822	V52-R831 HydrophobicContact CG1-CB 4.25Å; V52-R831 HydrophobicContact CG1-CG 4.48Å; F53-R831 CarbonylContact O-C 3.45Å; F53-R831 WeakPolarHBondContact O-CA 3.11Å; F53-R831 VanDerWaalsContact O-CB 3.3Å; F53-R831 WeakPolarHBondContact O-CB 3.31Å; Y54-R831 HydrophobicContact CD1-CB 4.04Å; Y54-R831 HydrophobicContact CE1-CB 4.41Å; Y54-R831 HydrophobicContact CG-CB 4.45Å; L657-R831 PolarHBondContact O-NH2 2.62Å; V802-R831 HydrophobicContact CG1-CG 4.24Å; Y821-R831 WeakPolarHBondContact CA-O 3.48Å; G822-R831 PolarHBondContact N-O 2.82Å; G822-R831 VanDerWaalsContact N-O 3.16Å; G822-R831 PolarHBondContact O-N 3.47Å
832	V	90.2	Very high	88.6	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.9	170.4	174.7	0	0	0	0	107.2	V52 F53 F55 L77 F103 A819 V834	V52-V832 WeakPolarHBondContact CA-O 3.5Å; F53-V832 PolarHBondContact N-O 3.24Å; F53-V832 PolarHBondContact O-N 3.04Å; F55-V832 HydrophobicContact CE2-CG2 3.86Å; F55-V832 HydrophobicContact CZ-CG2 4.41Å; L77-V832 HydrophobicContact CD1-CG2 4.12Å; F103-V832 HydrophobicContact CE2-CB 4.08Å; F103-V832 HydrophobicContact CE2-CG1 4.16Å; F103-V832 HydrophobicContact CE2-CG2 4.04Å; F103-V832 HydrophobicContact CZ-CG2 4.41Å; A819-V832 HydrophobicContact CB-CG1 4.06Å; V832-V834 HydrophobicContact CG1-CG2 3.87Å
833	A	91	Very high	88.8	Confident	3 Å²	3	37.6 Å²	37.6	3%	0.025	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	110	-179	0	0	0	0	0	108.9	L50 E51 V52 L657 V820	L50-A833 HydrophobicContact CD1-CB 4.07Å; L50-A833 HydrophobicContact CD2-CB 4.48Å; L50-A833 HydrophobicContact CG-CB 4.48Å; E51-A833 CarbonylContact O-C 3.6Å; E51-A833 WeakPolarHBondContact O-CA 3.46Å; V52-A833 HydrophobicContact CG2-CB 4.02Å; L657-A833 HydrophobicContact CD2-CB 4.45Å; V820-A833 PolarHBondContact N-O 3.07Å; V820-A833 PolarHBondContact O-N 2.9Å
834	V	92.3	Very high	88.9	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.5	-171.7	-177.6	0	0	0	0	110.9	E51 N99 K101 A818 A819 V832	E51-V834 PolarHBondContact N-O 3.32Å; E51-V834 PolarHBondContact O-N 2.97Å; N99-V834 VanDerWaalsContact O-CG1 3.3Å; N99-V834 WeakPolarHBondContact O-CG1 3.28Å; N99-V834 WeakPolarHBondContact O-CG2 3.48Å; K101-V834 HydrophobicContact CG-CB 4.36Å; K101-V834 HydrophobicContact CG-CG1 4.21Å; A818-V834 WeakPolarHBondContact O-CA 3.26Å; A819-V834 HydrophobicContact CB-CG2 4.16Å; V832-V834 HydrophobicContact CG1-CG2 3.87Å
835	V	93.4	Very high	89.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	104.1	166.4	-178.1	0	0	0	0	107.6	L50 L642 I655 A817 A818 F837 M842	L50-V835 HydrophobicContact CD1-CG2 3.48Å; L50-V835 VanDerWaalsContact CD1-CG2 3.48Å; L642-V835 HydrophobicContact CD1-CG2 4.35Å; I655-V835 HydrophobicContact CD1-CB 4.46Å; I655-V835 HydrophobicContact CD1-CG1 3.58Å; I655-V835 HydrophobicContact CD1-CG2 3.99Å; I655-V835 HydrophobicContact CG2-CG2 4.47Å; A817-V835 CarbonylContact C-O 3.58Å; A817-V835 VanDerWaalsContact CA-O 3.31Å; A817-V835 WeakPolarHBondContact CA-O 3.39Å; A818-V835 PolarHBondContact N-O 3.26Å; A818-V835 PolarHBondContact O-N 3.16Å; V835-F837 HydrophobicContact CB-CE2 4.04Å; V835-F837 HydrophobicContact CB-CZ 4.32Å; V835-F837 HydrophobicContact CG1-CD1 4.31Å; V835-F837 HydrophobicContact CG1-CD2 3.88Å; V835-F837 HydrophobicContact CG1-CE1 3.91Å; V835-F837 HydrophobicContact CG1-CE2 3.45Å; V835-F837 VanDerWaalsContact CG1-CE2 3.45Å; V835-F837 HydrophobicContact CG1-CG 4.29Å; V835-F837 HydrophobicContact CG1-CZ 3.47Å; V835-F837 VanDerWaalsContact CG1-CZ 3.47Å; V835-M842 HydrophobicContact CG1-CE 3.49Å; V835-M842 VanDerWaalsContact CG1-CE 3.49Å
836	D	92.8	Very high	89.7	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	102.5	170.8	173.4	-18.2	0	0	0	108.6	N99 K101 A817 R838 T839 N840	N99-D836 PolarHBondContact ND2-OD2 2.7Å; K101-D836 IonicContact NZ-OD2 2.62Å; A817-D836 HydrophobicContact CB-CB 3.93Å; D836-R838 PolarHBondContact O-N 2.84Å; D836-R838 VanDerWaalsContact O-N 3.12Å; D836-R838 PolarHBondContact OD1-N 2.81Å; D836-T839 PolarHBondContact OD1-N 3.22Å; D836-T839 PolarHBondContact OD1-OG1 2.96Å; D836-T839 VanDerWaalsContact OD2-CG2 3.31Å; D836-T839 WeakPolarHBondContact OD2-CG2 3.28Å; D836-T839 PolarHBondContact OD2-OG1 3.32Å; D836-N840 WeakPolarHBondContact CB-OD1 3.15Å; D836-N840 WeakPolarHBondContact O-CB 3.3Å; D836-N840 PolarHBondContact O-N 3.19Å; D836-N840 PolarHBondContact O-OD1 3.05Å; D836-N840 VanDerWaalsContact O-OD1 3.04Å
837	F	93.8	Very high	90.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.5	-172	-68.6	-96	0	0	0	112.4	L628 V630 L642 F644 M816 A818 V835 M842 I843	L628-F837 HydrophobicContact CD1-CD1 4.07Å; L628-F837 HydrophobicContact CD1-CE1 3.9Å; L628-F837 HydrophobicContact CD1-CE2 4.36Å; L628-F837 HydrophobicContact CD1-CG 4.39Å; L628-F837 HydrophobicContact CD1-CZ 4.05Å; L628-F837 HydrophobicContact CD2-CB 4.38Å; L628-F837 HydrophobicContact CD2-CD1 4.3Å; L628-F837 HydrophobicContact CD2-CD2 3.5Å; L628-F837 VanDerWaalsContact CD2-CD2 3.5Å; L628-F837 HydrophobicContact CD2-CE2 3.79Å; L628-F837 HydrophobicContact CD2-CG 3.79Å; L628-F837 HydrophobicContact CD2-CZ 4.31Å; V630-F837 HydrophobicContact CG1-CE2 3.8Å; V630-F837 HydrophobicContact CG1-CZ 3.7Å; L642-F837 HydrophobicContact CD2-CZ 4.48Å; F644-F837 HydrophobicContact CB-CE1 3.95Å; F644-F837 HydrophobicContact CB-CZ 3.94Å; F644-F837 AromaticContact CD1-CE1 3.86Å; F644-F837 HydrophobicContact CD1-CE1 3.86Å; F644-F837 HydrophobicContact CD1-CZ 4.33Å; F644-F837 HydrophobicContact CD2-CD1 4.38Å; F644-F837 AromaticContact CD2-CE1 3.63Å; F644-F837 HydrophobicContact CD2-CE1 3.63Å; F644-F837 HydrophobicContact CD2-CZ 4.47Å; F644-F837 HydrophobicContact CE1-CE1 4.2Å; F644-F837 HydrophobicContact CE2-CD1 4.46Å; F644-F837 AromaticContact CE2-CE1 3.99Å; F644-F837 HydrophobicContact CE2-CE1 3.99Å; F644-F837 AromaticContact CG-CE1 3.55Å; F644-F837 HydrophobicContact CG-CE1 3.55Å; F644-F837 HydrophobicContact CG-CZ 4.02Å; F644-F837 HydrophobicContact CZ-CE1 4.25Å; M816-F837 HydrophobicContact CE-CB 4.22Å; M816-F837 PolarHBondContact O-N 3.27Å; A818-F837 HydrophobicContact CB-CE2 4.43Å; V835-F837 HydrophobicContact CB-CE2 4.04Å; V835-F837 HydrophobicContact CB-CZ 4.32Å; V835-F837 HydrophobicContact CG1-CD1 4.31Å; V835-F837 HydrophobicContact CG1-CD2 3.88Å; V835-F837 HydrophobicContact CG1-CE1 3.91Å; V835-F837 HydrophobicContact CG1-CE2 3.45Å; V835-F837 VanDerWaalsContact CG1-CE2 3.45Å; V835-F837 HydrophobicContact CG1-CG 4.29Å; V835-F837 HydrophobicContact CG1-CZ 3.47Å; V835-F837 VanDerWaalsContact CG1-CZ 3.47Å; F837-M842 HydrophobicContact CB-CE 4.49Å; F837-M842 HydrophobicContact CD1-CE 3.45Å; F837-M842 VanDerWaalsContact CD1-CE 3.45Å; F837-M842 HydrophobicContact CD1-SD 4.36Å; F837-M842 HydrophobicContact CE1-CE 3.71Å; F837-M842 HydrophobicContact CG-CE 4.04Å; F837-M842 PolarHBondContact O-N 3.42Å; F837-I843 HydrophobicContact CB-CD1 4.12Å; F837-I843 HydrophobicContact CB-CG1 4.25Å; F837-I843 PolarHBondContact O-N 2.77Å
838	R	91.1	Very high	90.8	Very high	130 Å²	130	46.8 Å²	46.8	49%	0.491	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-54.8	-179.4	-172.8	172.2	174	-173.9	-5.7	111.8	M816 D836 G841	M816-R838 HydrophobicContact CB-CB 4.11Å; M816-R838 HydrophobicContact CE-CB 4.15Å; D836-R838 PolarHBondContact O-N 2.84Å; D836-R838 VanDerWaalsContact O-N 3.12Å; D836-R838 PolarHBondContact OD1-N 2.81Å; R838-G841 PolarHBondContact O-N 2.77Å
839	T	88.9	Confident	91.2	Very high	94 Å²	94	47 Å²	47	58%	0.577	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-29.3	-175.5	67.8	0	0	0	0	113.1	K101 D836 G841	K101-T839 PolarHBondContact NZ-OG1 2.82Å; D836-T839 PolarHBondContact OD1-N 3.22Å; D836-T839 PolarHBondContact OD1-OG1 2.96Å; D836-T839 VanDerWaalsContact OD2-CG2 3.31Å; D836-T839 WeakPolarHBondContact OD2-CG2 3.28Å; D836-T839 PolarHBondContact OD2-OG1 3.32Å; T839-G841 PolarHBondContact O-N 3.07Å
840	N	90.1	Very high	91.7	Very high	18 Å²	18	48.6 Å²	48.6	10%	0.096	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-4.6	170.8	-58.6	62.1	0	0	0	112.1	I43 K48 E51 K101 D836	I43-N840 WeakPolarHBondContact CG2-O 3.31Å; K48-N840 WeakPolarHBondContact O-CB 3.39Å; K48-N840 PolarHBondContact O-ND2 3.05Å; E51-N840 PolarHBondContact OE1-ND2 3.33Å; E51-N840 PolarHBondContact OE1-OD1 2.85Å; K101-N840 PolarHBondContact NZ-OD1 2.9Å; D836-N840 WeakPolarHBondContact CB-OD1 3.15Å; D836-N840 WeakPolarHBondContact O-CB 3.3Å; D836-N840 PolarHBondContact O-N 3.19Å; D836-N840 PolarHBondContact O-OD1 3.05Å; D836-N840 VanDerWaalsContact O-OD1 3.04Å
841	G	89.8	Confident	92	Very high	10 Å²	10	48.7 Å²	48.7	10%	0.103	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	20.1	160.5	0	0	0	0	0	116.3	I43 R838 T839 K844	I43-G841 WeakPolarHBondContact CD1-O 3.14Å; R838-G841 PolarHBondContact O-N 2.77Å; T839-G841 PolarHBondContact O-N 3.07Å; G841-K844 WeakPolarHBondContact O-CE 3.38Å; G841-K844 PolarHBondContact O-NZ 2.95Å
842	M	93	Very high	92.1	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.025	24%	0.241	C	C	.	.	S	Bend	trans	-77.5	-46.3	174.3	-65.5	-173.1	-76.7	0	0	111	F40 I43 A49 F644 I655 V835 F837	F40-M842 HydrophobicContact CD1-CB 3.91Å; F40-M842 HydrophobicContact CD1-CG 4.07Å; F40-M842 HydrophobicContact CD1-SD 4.47Å; F40-M842 HydrophobicContact CE1-CB 3.91Å; I43-M842 HydrophobicContact CB-CG 4.47Å; I43-M842 HydrophobicContact CD1-CB 4.47Å; I43-M842 HydrophobicContact CD1-CG 3.8Å; I43-M842 HydrophobicContact CG2-CG 4.07Å; A49-M842 HydrophobicContact CB-CE 4.4Å; A49-M842 HydrophobicContact CB-SD 4.33Å; F644-M842 HydrophobicContact CE1-SD 4.32Å; F644-M842 HydrophobicContact CZ-SD 4.03Å; I655-M842 HydrophobicContact CD1-CE 3.9Å; I655-M842 HydrophobicContact CD1-SD 4.27Å; V835-M842 HydrophobicContact CG1-CE 3.49Å; V835-M842 VanDerWaalsContact CG1-CE 3.49Å; F837-M842 HydrophobicContact CB-CE 4.49Å; F837-M842 HydrophobicContact CD1-CE 3.45Å; F837-M842 VanDerWaalsContact CD1-CE 3.45Å; F837-M842 HydrophobicContact CD1-SD 4.36Å; F837-M842 HydrophobicContact CE1-CE 3.71Å; F837-M842 HydrophobicContact CG-CE 4.04Å; F837-M842 PolarHBondContact O-N 3.42Å
843	I	93.8	Very high	92.3	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.254	C	S	.	.	S	Bend	trans	-115.1	86.7	178.3	-51.2	-179.6	0	0	0	109	T646 M816 F837 L884 A886	T646-I843 HydrophobicContact CG2-CD1 3.83Å; M816-I843 HydrophobicContact CE-CB 3.82Å; M816-I843 HydrophobicContact CE-CD1 3.99Å; M816-I843 HydrophobicContact CE-CG1 4.42Å; M816-I843 HydrophobicContact CE-CG2 3.93Å; F837-I843 HydrophobicContact CB-CD1 4.12Å; F837-I843 HydrophobicContact CB-CG1 4.25Å; F837-I843 PolarHBondContact O-N 2.77Å; I843-L884 HydrophobicContact CD1-CD1 4.28Å; I843-L884 HydrophobicContact CG1-CD1 4Å; I843-A886 HydrophobicContact CG2-CB 4.09Å
844	K	89.6	Confident	92.3	Very high	161 Å²	161	55.1 Å²	55.1	70%	0.7	28%	0.279	S	S	*	.			trans	-88.1	-27.4	-175.6	-70.1	170	176	142	0	114.7	G841	G841-K844 WeakPolarHBondContact O-CE 3.38Å; G841-K844 PolarHBondContact O-NZ 2.95Å
845	R	93.6	Very high	92.2	Very high	108 Å²	108	56.8 Å²	56.8	41%	0.408	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-90.1	131.2	-168.5	-169.5	177.2	63.1	95.5	-3	110	D851 L884 C885 A886	R845-D851 IonicContact CZ-OD1 3.6Å; R845-D851 IonicContact CZ-OD2 3.84Å; R845-D851 IonicContact NH1-OD1 2.69Å; R845-D851 PolarHBondContact NH1-OD1 3.46Å; R845-D851 IonicContact NH1-OD2 2.67Å; R845-D851 PolarHBondContact NH1-OD2 3.25Å; R845-D851 IonicContact NH2-OD1 3.76Å; R845-D851 PolarHBondContact NH2-OD1 3.47Å; R845-D851 IonicContact NH2-OD2 2.72Å; R845-L884 PolarHBondContact NE-O 2.61Å; R845-L884 PolarHBondContact NH2-O 3.21Å; R845-C885 CarbonylContact O-C 3.53Å; R845-C885 VanDerWaalsContact O-CA 3.31Å; R845-C885 WeakPolarHBondContact O-CA 3.5Å; R845-C885 WeakPolarHBondContact O-CB 3.44Å; R845-A886 PolarHBondContact O-N 2.85Å
846	K	93.1	Very high	92.1	Very high	125 Å²	125	59 Å²	59	54%	0.543	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-67.5	143.7	163.4	-81.5	-163.4	168.8	-155.1	0	109.2	E888	K846-E888 IonicContact NZ-OE1 2.58Å; K846-E888 PolarHBondContact NZ-OE1 2.84Å
847	C	94	Very high	91.9	Very high	24 Å²	24	59 Å²	59	16%	0.162	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-65.7	147.7	171.8	-59.4	0	0	0	0	111.7	D851 Y852 C885 A886	C847-D851 WeakPolarHBondContact CA-OD2 3.22Å; C847-D851 HydrophobicContact CB-CB 4.23Å; C847-Y852 HydrophobicContact CB-CE2 3.74Å; C847-Y852 WeakPolarHBondContact CB-OH 3.38Å; C847-C885 WeakPolarHBondContact CA-SG 3.36Å; C847-C885 HydrophobicContact CB-CB 3.93Å; C847-C885 WeakPolarHBondContact CB-SG 3.45Å; C847-C885 VanDerWaalsContact SG-C 3.54Å; C847-C885 WeakPolarHBondContact SG-CB 3.34Å; C847-C885 CovalentContact SG-SG 2.04Å; C847-C885 PolarHBondContact SG-SG 2.91Å; C847-A886 PolarHBondContact N-O 2.82Å; C847-A886 PolarHBondContact SG-O 2.91Å; C847-A886 VanDerWaalsContact SG-O 3.34Å
848	T	93.5	Very high	91.5	Very high	61 Å²	61	60 Å²	60	37%	0.374	30%	0.301	S	S	.	.			trans	-113.9	166	175.5	62.1	0	0	0	0	108.9	D850 D851 Y852	T848-D850 PolarHBondContact O-N 3.01Å; T848-D850 VanDerWaalsContact O-N 3.12Å; T848-D851 PolarHBondContact N-OD2 2.94Å; T848-D851 WeakPolarHBondContact O-CB 3.47Å; T848-D851 PolarHBondContact O-N 2.91Å; T848-D851 VanDerWaalsContact O-N 3.07Å; T848-D851 PolarHBondContact OG1-OD2 3.26Å; T848-Y852 WeakPolarHBondContact O-CD2 3.41Å; T848-Y852 VanDerWaalsContact O-CE2 3.27Å; T848-Y852 WeakPolarHBondContact O-CE2 3.19Å
849	P	90.6	Very high	91.3	Very high	108 Å²	108	56.2 Å²	56.2	70%	0.701	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-52.7	-33.9	177.2	-28.3	37.1	0	0	0	113.8	D851 Y852	P849-D851 VanDerWaalsContact C-N 3.27Å; P849-D851 PolarHBondContact O-N 2.87Å; P849-Y852 PolarHBondContact O-N 3.14Å
850	D	93.2	Very high	90.7	Very high	128 Å²	128	53.9 Å²	53.9	68%	0.684	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-69.1	-19.7	-178.8	-56.1	-55.8	0	0	0	114.1	T848 Y852 K880	T848-D850 PolarHBondContact O-N 3.01Å; T848-D850 VanDerWaalsContact O-N 3.12Å; D850-Y852 PolarHBondContact O-N 3.34Å; D850-K880 PolarHBondContact O-NZ 3Å
851	D	94.5	Very high	89.6	Confident	10 Å²	10	61.4 Å²	61.4	5%	0.053	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-75.9	-10.3	177	-64.8	-71.4	0	0	0	113.2	R845 C847 T848 P849 L879 K880	R845-D851 IonicContact CZ-OD1 3.6Å; R845-D851 IonicContact CZ-OD2 3.84Å; R845-D851 IonicContact NH1-OD1 2.69Å; R845-D851 PolarHBondContact NH1-OD1 3.46Å; R845-D851 IonicContact NH1-OD2 2.67Å; R845-D851 PolarHBondContact NH1-OD2 3.25Å; R845-D851 IonicContact NH2-OD1 3.76Å; R845-D851 PolarHBondContact NH2-OD1 3.47Å; R845-D851 IonicContact NH2-OD2 2.72Å; C847-D851 WeakPolarHBondContact CA-OD2 3.22Å; C847-D851 HydrophobicContact CB-CB 4.23Å; T848-D851 PolarHBondContact N-OD2 2.94Å; T848-D851 WeakPolarHBondContact O-CB 3.47Å; T848-D851 PolarHBondContact O-N 2.91Å; T848-D851 VanDerWaalsContact O-N 3.07Å; T848-D851 PolarHBondContact OG1-OD2 3.26Å; P849-D851 VanDerWaalsContact C-N 3.27Å; P849-D851 PolarHBondContact O-N 2.87Å; D851-L879 HydrophobicContact CB-CD1 3.97Å; D851-K880 WeakPolarHBondContact O-CB 3.32Å; D851-K880 PolarHBondContact O-N 2.93Å
852	Y	92.8	Very high	88.2	Confident	20 Å²	20	69.1 Å²	69.1	8%	0.078	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	148.2	-174	-63.1	-82.7	0	0	0	112.8	C847 T848 P849 D850 K877 R878 L879 K880 N887 M891	C847-Y852 HydrophobicContact CB-CE2 3.74Å; C847-Y852 WeakPolarHBondContact CB-OH 3.38Å; T848-Y852 WeakPolarHBondContact O-CD2 3.41Å; T848-Y852 VanDerWaalsContact O-CE2 3.27Å; T848-Y852 WeakPolarHBondContact O-CE2 3.19Å; P849-Y852 PolarHBondContact O-N 3.14Å; D850-Y852 PolarHBondContact O-N 3.34Å; Y852-K877 HydrophobicContact CD1-CD 4.25Å; Y852-K877 HydrophobicContact CD1-CG 3.78Å; Y852-K877 HydrophobicContact CG-CD 4.19Å; Y852-K877 HydrophobicContact CG-CG 3.92Å; Y852-R878 WeakPolarHBondContact CA-O 3.14Å; Y852-R878 WeakPolarHBondContact CD1-O 3.35Å; Y852-L879 HydrophobicContact CE1-CD1 4.38Å; Y852-K880 WeakPolarHBondContact O-CE 3.31Å; Y852-K880 PolarHBondContact O-NZ 3.15Å; Y852-N887 VanDerWaalsContact CE1-OD1 3.23Å; Y852-N887 WeakPolarHBondContact CE1-OD1 3.36Å; Y852-N887 PolarHBondContact OH-OD1 3.41Å; Y852-M891 HydrophobicContact CE1-CE 4.49Å; Y852-M891 HydrophobicContact CE1-SD 3.86Å; Y852-M891 HydrophobicContact CE2-CE 4.02Å; Y852-M891 HydrophobicContact CE2-SD 4.3Å; Y852-M891 WeakPolarHBondContact OH-CE 3.38Å
853	E	92.5	Very high	86.2	Confident	56 Å²	56	72.3 Å²	72.3	26%	0.262	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144	164.3	58.9	179.6	-128.5	0	0	110	R878 K880	E853-R878 HydrophobicContact CG-CG 3.75Å; E853-R878 PolarHBondContact N-O 2.95Å; E853-R878 PolarHBondContact O-N 2.98Å; E853-R878 IonicContact OE1-CZ 3.42Å; E853-R878 IonicContact OE1-NE 3.54Å; E853-R878 PolarHBondContact OE1-NE 2.84Å; E853-R878 IonicContact OE1-NH2 2.65Å; E853-R878 PolarHBondContact OE1-NH2 2.86Å; E853-K880 HydrophobicContact CB-CG 3.86Å; E853-K880 HydrophobicContact CG-CG 4.08Å
854	T	91.1	Very high	84.6	Confident	91 Å²	91	75.4 Å²	75.4	56%	0.558	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.7	162.8	-53.5	0	0	0	0	107.7	Q875 F876	T854-Q875 HydrophobicContact CG2-CB 4.15Å; T854-F876 CarbonylContact C-O 3.56Å; T854-F876 WeakPolarHBondContact CA-O 3.37Å
855	W	91.1	Very high	83.6	Confident	37 Å²	37	72.8 Å²	72.8	14%	0.14	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.8	179.3	175.9	63.3	0	0	0	110.4	M401 P580 D605 P857 F876 R878	M401-W855 HydrophobicContact CE-CH2 3.63Å; M401-W855 HydrophobicContact CE-CZ2 4.49Å; M401-W855 HydrophobicContact CE-CZ3 4.37Å; P580-W855 HydrophobicContact CB-CZ3 4.45Å; D605-W855 HydrophobicContact CB-CZ2 4.1Å; W855-P857 HydrophobicContact CH2-CB 3.73Å; W855-P857 HydrophobicContact CZ2-CB 4.08Å; W855-P857 HydrophobicContact CZ3-CB 3.99Å; W855-F876 PolarHBondContact N-O 2.71Å; W855-F876 PolarHBondContact O-N 2.94Å; W855-R878 HydrophobicContact CB-CG 4.33Å; W855-R878 VanDerWaalsContact CG-CZ 3.46Å
856	I	90.9	Very high	83.1	Confident	46 Å²	46	71.8 Å²	71.8	24%	0.236	41%	0.414	C	S	.	.			trans	-109.7	115.9	176	-51.4	-175.3	0	0	0	106.9	S859 R873 Q875	I856-S859 PolarHBondContact O-OG 2.78Å; I856-R873 HydrophobicContact CG2-CG 3.7Å; I856-Q875 HydrophobicContact CD1-CG 4.4Å; I856-Q875 HydrophobicContact CG1-CG 4.23Å
857	P	88.4	Confident	82.8	Confident	6 Å²	6	65.9 Å²	65.9	4%	0.039	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	163.4	178.4	32.9	-33.5	0	0	0	110.2	M401 W855 S859 G867 E874 F876	M401-P857 HydrophobicContact CE-CB 3.57Å; W855-P857 HydrophobicContact CH2-CB 3.73Å; W855-P857 HydrophobicContact CZ2-CB 4.08Å; W855-P857 HydrophobicContact CZ3-CB 3.99Å; P857-S859 PolarHBondContact O-N 2.99Å; P857-G867 VanDerWaalsContact O-CA 3.23Å; P857-G867 WeakPolarHBondContact O-CA 3.19Å; P857-E874 WeakPolarHBondContact CD-O 3.35Å; P857-F876 HydrophobicContact CG-CD2 4.27Å; P857-F876 HydrophobicContact CG-CE2 4.15Å
858	H	86.8	Confident	82.6	Confident	19 Å²	19	66.4 Å²	66.4	9%	0.088	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	-15.4	-178.9	-39.4	-75.7	0	0	0	116.4	M401 Y608 K865 L869	M401-H858 PolarHBondContact SD-CE1 2.93Å; Y608-H858 HydrophobicContact CE2-CB 4.4Å; Y608-H858 AromaticContact CE2-ND1 3.46Å; Y608-H858 WeakPolarHBondContact CE2-ND1 3.48Å; Y608-H858 AromaticContact CZ-ND1 3.63Å; Y608-H858 PolarHBondContact OH-ND1 2.93Å; H858-K865 WeakPolarHBondContact O-CB 3.29Å; H858-K865 WeakPolarHBondContact O-CD 3.46Å; H858-L869 WeakPolarHBondContact CE1-CD2 3.31Å; H858-L869 WeakPolarHBondContact NE2-CD2 3.34Å
859	S	85.8	Confident	82.3	Confident	51 Å²	51	64.8 Å²	64.8	36%	0.357	38%	0.382	S	S	.	.			trans	-68.2	154.1	177.5	70.6	0	0	0	0	112.8	I856 P857 K865	I856-S859 PolarHBondContact O-OG 2.78Å; P857-S859 PolarHBondContact O-N 2.99Å; S859-K865 WeakPolarHBondContact CA-O 3.36Å
860	S	76.8	Confident	82.2	Confident	45 Å²	45	59.9 Å²	59.9	32%	0.315	35%	0.35	S	S	.	.			trans	-138.2	139.4	172.7	72	0	0	0	0	113.1	E862 G863 K865	S860-E862 PolarHBondContact O-N 3.28Å; S860-E862 VanDerWaalsContact O-N 3.07Å; S860-G863 PolarHBondContact O-N 2.75Å; S860-G863 VanDerWaalsContact O-N 3.17Å; S860-K865 PolarHBondContact N-O 2.96Å; S860-K865 PolarHBondContact OG-N 3.09Å
861	N	65.8	Low	82	Confident	177 Å²	177	53.8 Å²	53.8	95%	0.947	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.1	179.1	-67.3	-10.4	0	0	0	113.5	G863	N861-G863 PolarHBondContact O-N 3.29Å
862	E	61.7	Low	81.7	Confident	171 Å²	171	53.7 Å²	53.7	80%	0.799	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	7.5	-179.9	-59.4	-176.3	161.2	0	0	112.8	S860 G864	S860-E862 PolarHBondContact O-N 3.28Å; S860-E862 VanDerWaalsContact O-N 3.07Å; E862-G864 PolarHBondContact O-N 3.06Å
863	G	49.9	Very low	81.6	Confident	72 Å²	72	54.9 Å²	54.9	74%	0.742	32%	0.321	S	S	*	.	S	Bend	trans	74.5	4.8	172	0	0	0	0	0	115.4	S860 N861	S860-G863 PolarHBondContact O-N 2.75Å; S860-G863 VanDerWaalsContact O-N 3.17Å; N861-G863 PolarHBondContact O-N 3.29Å
864	G	60.8	Low	81.3	Confident	68 Å²	68	53 Å²	53	70%	0.701	31%	0.312	S	S	*	.	S	Bend	trans	-89.1	-13.1	-179.6	0	0	0	0	0	115.2	E862	E862-G864 PolarHBondContact O-N 3.06Å
865	K	69.6	Low	81.2	Confident	105 Å²	105	50.6 Å²	50.6	46%	0.457	30%	0.295	S	S	.	.			trans	-142.7	130.4	174.9	-64.5	-172.3	177.1	-173.7	0	110.6	H858 S859 S860	H858-K865 WeakPolarHBondContact O-CB 3.29Å; H858-K865 WeakPolarHBondContact O-CD 3.46Å; S859-K865 WeakPolarHBondContact CA-O 3.36Å; S860-K865 PolarHBondContact N-O 2.96Å; S860-K865 PolarHBondContact OG-N 3.09Å
866	D	81.8	Confident	81.1	Confident	87 Å²	87	50 Å²	50	47%	0.465	29%	0.293	S	S	.	.			trans	-95.7	-1.5	-176.6	74.5	-30.4	0	0	0	114	C868 R873	D866-C868 WeakPolarHBondContact OD1-CB 3.45Å; D866-C868 PolarHBondContact OD1-N 3.04Å; D866-C868 PolarHBondContact OD2-SG 3.42Å; D866-R873 WeakPolarHBondContact O-CD 3.46Å; D866-R873 PolarHBondContact O-NE 3.19Å; D866-R873 VanDerWaalsContact O-NE 3.1Å; D866-R873 IonicContact OD2-CZ 2.67Å; D866-R873 IonicContact OD2-NE 3.9Å; D866-R873 IonicContact OD2-NH2 3.86Å; D866-R873 PolarHBondContact OD2-NH2 2.85Å
867	G	87.4	Confident	81.1	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.01	29%	0.294	C	S	.	.	S	Bend	trans	91.1	4.4	-178.3	0	0	0	0	0	115.6	P857	P857-G867 VanDerWaalsContact O-CA 3.23Å; P857-G867 WeakPolarHBondContact O-CA 3.19Å
868	C	89.6	Confident	81.2	Confident	35 Å²	35	51.7 Å²	51.7	24%	0.236	30%	0.297	C	S	.	.			trans	-72.1	129.9	168.2	-71.5	0	0	0	0	111.3	D866 V872 C900	D866-C868 WeakPolarHBondContact OD1-CB 3.45Å; D866-C868 PolarHBondContact OD1-N 3.04Å; D866-C868 PolarHBondContact OD2-SG 3.42Å; C868-V872 WeakPolarHBondContact CA-O 3.49Å; C868-C900 HydrophobicContact CB-CB 3.79Å; C868-C900 WeakPolarHBondContact CB-SG 3.28Å; C868-C900 WeakPolarHBondContact SG-CB 3.38Å; C868-C900 CovalentContact SG-SG 2.03Å; C868-C900 PolarHBondContact SG-SG 2.93Å
869	L	87.9	Confident	81.5	Confident	28 Å²	28	51.6 Å²	51.6	15%	0.147	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-149.2	138.5	170.1	-176.6	91.2	0	0	0	108.6	H422 H858 G871 V872	H422-L869 HydrophobicContact CB-CD1 4.21Å; H422-L869 WeakPolarHBondContact O-CD2 3.14Å; H858-L869 WeakPolarHBondContact CE1-CD2 3.31Å; H858-L869 WeakPolarHBondContact NE2-CD2 3.34Å; L869-G871 PolarHBondContact O-N 3.48Å; L869-V872 PolarHBondContact N-O 3.09Å; L869-V872 VanDerWaalsContact O-CG2 3.3Å; L869-V872 WeakPolarHBondContact O-CG2 3.46Å; L869-V872 PolarHBondContact O-N 2.92Å
870	L	88	Confident	81.8	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.026	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	41.9	-177	-63	171.1	0	0	0	111.2	R424 V872 I952 D955 R956	R424-L870 HydrophobicContact CG-CD1 4.01Å; R424-L870 HydrophobicContact CG-CD2 4.24Å; L870-V872 PolarHBondContact O-N 3.39Å; L870-V872 VanDerWaalsContact O-N 3.13Å; L870-I952 HydrophobicContact CD2-CB 4.28Å; L870-I952 HydrophobicContact CD2-CG2 3.57Å; L870-D955 WeakPolarHBondContact CA-OD2 3.05Å; L870-D955 WeakPolarHBondContact O-CA 3.49Å; L870-R956 PolarHBondContact O-N 3.23Å; L870-R956 VanDerWaalsContact O-N 3.09Å
871	G	88.1	Confident	82.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	10.3	-178	0	0	0	0	0	116.7	L869 C900 D955	L869-G871 PolarHBondContact O-N 3.48Å; G871-C900 PolarHBondContact O-N 2.92Å; G871-D955 VanDerWaalsContact CA-OD1 3.28Å; G871-D955 WeakPolarHBondContact CA-OD1 3.33Å; G871-D955 PolarHBondContact N-OD1 2.86Å; G871-D955 PolarHBondContact N-OD2 3.37Å
872	V	88.8	Confident	83.6	Confident	8 Å²	8	48.8 Å²	48.8	5%	0.048	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145	179.4	-66.1	0	0	0	0	113.1	C868 L869 L870 E874 V897 E898 F899 C900 R956	C868-V872 WeakPolarHBondContact CA-O 3.49Å; L869-V872 PolarHBondContact N-O 3.09Å; L869-V872 VanDerWaalsContact O-CG2 3.3Å; L869-V872 WeakPolarHBondContact O-CG2 3.46Å; L869-V872 PolarHBondContact O-N 2.92Å; L870-V872 PolarHBondContact O-N 3.39Å; L870-V872 VanDerWaalsContact O-N 3.13Å; V872-E874 HydrophobicContact CB-CG 4.46Å; V872-E874 HydrophobicContact CG2-CG 4.02Å; V872-V897 HydrophobicContact CB-CG1 3.99Å; V872-V897 HydrophobicContact CG1-CG1 3.89Å; V872-E898 CarbonylContact C-O 3.17Å; V872-E898 WeakPolarHBondContact CA-O 3.09Å; V872-F899 HydrophobicContact CG1-CD1 3.9Å; V872-F899 HydrophobicContact CG1-CE1 4.19Å; V872-C900 VanDerWaalsContact C-SG 3.55Å; V872-R956 HydrophobicContact CG1-CB 3.95Å; V872-R956 HydrophobicContact CG1-CG 4.45Å
873	R	89.7	Confident	85	Confident	44 Å²	44	41.3 Å²	41.3	17%	0.166	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	99.4	166	-170	-173	-58.7	126.7	4.8	107.6	I856 D866 E898 C900	I856-R873 HydrophobicContact CG2-CG 3.7Å; D866-R873 WeakPolarHBondContact O-CD 3.46Å; D866-R873 PolarHBondContact O-NE 3.19Å; D866-R873 VanDerWaalsContact O-NE 3.1Å; D866-R873 IonicContact OD2-CZ 2.67Å; D866-R873 IonicContact OD2-NE 3.9Å; D866-R873 IonicContact OD2-NH2 3.86Å; D866-R873 PolarHBondContact OD2-NH2 2.85Å; R873-E898 HydrophobicContact CB-CB 4.35Å; R873-E898 IonicContact CZ-OE1 2.98Å; R873-E898 IonicContact CZ-OE2 2.79Å; R873-E898 PolarHBondContact N-O 3Å; R873-E898 IonicContact NH1-OE1 3.87Å; R873-E898 PolarHBondContact NH1-OE1 3.34Å; R873-E898 IonicContact NH1-OE2 3.25Å; R873-E898 PolarHBondContact NH1-OE2 2.83Å; R873-E898 PolarHBondContact O-N 2.77Å; R873-C900 PolarHBondContact N-SG 3.11Å
874	E	86.8	Confident	87.1	Confident	17 Å²	17	39.2 Å²	39.2	8%	0.079	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140.9	177.5	-58.7	-161.3	174.9	0	0	110.9	P857 V872 F876 R894 V897	P857-E874 WeakPolarHBondContact CD-O 3.35Å; V872-E874 HydrophobicContact CB-CG 4.46Å; V872-E874 HydrophobicContact CG2-CG 4.02Å; E874-F876 HydrophobicContact CB-CD2 4.46Å; E874-F876 HydrophobicContact CB-CE2 3.79Å; E874-F876 HydrophobicContact CB-CZ 4.33Å; E874-F876 WeakPolarHBondContact OE2-CZ 3.24Å; E874-R894 IonicContact OE1-CZ 3.71Å; E874-R894 IonicContact OE1-NE 3.69Å; E874-R894 IonicContact OE1-NH2 2.66Å; E874-R894 PolarHBondContact OE1-NH2 3.17Å; E874-R894 IonicContact OE2-CZ 2.64Å; E874-R894 IonicContact OE2-NE 2.75Å; E874-R894 PolarHBondContact OE2-NE 3.24Å; E874-R894 IonicContact OE2-NH2 3.21Å; E874-R894 PolarHBondContact OE2-NH2 3.43Å; E874-V897 HydrophobicContact CG-CG1 4.31Å; E874-V897 HydrophobicContact CG-CG2 4.15Å
875	Q	89.2	Confident	88.7	Confident	40 Å²	40	36 Å²	36	19%	0.187	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.1	174.9	-56.1	-168	29.7	0	0	110.2	T854 I856 V895 Q896	T854-Q875 HydrophobicContact CG2-CB 4.15Å; I856-Q875 HydrophobicContact CD1-CG 4.4Å; I856-Q875 HydrophobicContact CG1-CG 4.23Å; Q875-V895 PolarHBondContact O-N 3.23Å; Q875-Q896 HydrophobicContact CB-CB 4.31Å; Q875-Q896 HydrophobicContact CG-CB 4.39Å; Q875-Q896 PolarHBondContact N-O 3.33Å
876	F	89.7	Confident	89.8	Confident	26 Å²	26	31.4 Å²	31.4	11%	0.114	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.8	179.9	-70	-83.4	0	0	0	111.8	P580 T854 W855 P857 E874 T893 R894	P580-F876 HydrophobicContact CB-CB 4.09Å; P580-F876 HydrophobicContact CB-CD1 3.72Å; P580-F876 HydrophobicContact CB-CD2 4.36Å; P580-F876 HydrophobicContact CB-CE1 4.21Å; P580-F876 HydrophobicContact CB-CG 3.79Å; P580-F876 HydrophobicContact CG-CB 4.2Å; P580-F876 HydrophobicContact CG-CD1 3.46Å; P580-F876 VanDerWaalsContact CG-CD1 3.46Å; P580-F876 HydrophobicContact CG-CE1 4.04Å; P580-F876 HydrophobicContact CG-CG 3.97Å; T854-F876 CarbonylContact C-O 3.56Å; T854-F876 WeakPolarHBondContact CA-O 3.37Å; W855-F876 PolarHBondContact N-O 2.71Å; W855-F876 PolarHBondContact O-N 2.94Å; P857-F876 HydrophobicContact CG-CD2 4.27Å; P857-F876 HydrophobicContact CG-CE2 4.15Å; E874-F876 HydrophobicContact CB-CD2 4.46Å; E874-F876 HydrophobicContact CB-CE2 3.79Å; E874-F876 HydrophobicContact CB-CZ 4.33Å; E874-F876 WeakPolarHBondContact OE2-CZ 3.24Å; F876-T893 CarbonylContact C-O 3.43Å; F876-T893 VanDerWaalsContact CA-O 3.29Å; F876-T893 WeakPolarHBondContact CA-O 3.44Å; F876-R894 HydrophobicContact CD1-CB 4.29Å; F876-R894 HydrophobicContact CE1-CB 4.05Å; F876-R894 HydrophobicContact CE1-CG 4.43Å
877	K	89.6	Confident	90.3	Very high	58 Å²	58	28.6 Å²	28.6	25%	0.252	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.6	166.1	-179.1	-178	177.6	-171	0	108.1	Y852 M891 T893 V895	Y852-K877 HydrophobicContact CD1-CD 4.25Å; Y852-K877 HydrophobicContact CD1-CG 3.78Å; Y852-K877 HydrophobicContact CG-CD 4.19Å; Y852-K877 HydrophobicContact CG-CG 3.92Å; K877-M891 HydrophobicContact CD-SD 4.08Å; K877-M891 PolarHBondContact NZ-SD 3.16Å; K877-M891 VanDerWaalsContact NZ-SD 3.38Å; K877-T893 PolarHBondContact N-O 3.17Å; K877-V895 HydrophobicContact CB-CG2 3.53Å
878	R	91.2	Very high	90.2	Very high	28 Å²	28	33.4 Å²	33.4	11%	0.106	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	161.8	175.5	69.3	178.3	-174.5	-172	-1	111.3	S604 Y852 E853 W855	S604-R878 PolarHBondContact O-NH1 2.86Å; Y852-R878 WeakPolarHBondContact CA-O 3.14Å; Y852-R878 WeakPolarHBondContact CD1-O 3.35Å; E853-R878 HydrophobicContact CG-CG 3.75Å; E853-R878 PolarHBondContact N-O 2.95Å; E853-R878 PolarHBondContact O-N 2.98Å; E853-R878 IonicContact OE1-CZ 3.42Å; E853-R878 IonicContact OE1-NE 3.54Å; E853-R878 PolarHBondContact OE1-NE 2.84Å; E853-R878 IonicContact OE1-NH2 2.65Å; E853-R878 PolarHBondContact OE1-NH2 2.86Å; W855-R878 HydrophobicContact CB-CG 4.33Å; W855-R878 VanDerWaalsContact CG-CZ 3.46Å
879	L	92.5	Very high	89.6	Confident	17 Å²	17	34 Å²	34	9%	0.089	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	135.8	178.1	-169.7	67	0	0	0	109.7	D851 Y852 C885	D851-L879 HydrophobicContact CB-CD1 3.97Å; Y852-L879 HydrophobicContact CE1-CD1 4.38Å; L879-C885 VanDerWaalsContact CD1-SG 3.54Å
880	K	93.9	Very high	89	Confident	70 Å²	70	41.5 Å²	41.5	30%	0.304	20%	0.195	S	C	.	.			trans	-65.5	143.1	172.3	-72.6	166.9	175.3	156.9	0	110	D850 D851 Y852 E853 D882 S883	D850-K880 PolarHBondContact O-NZ 3Å; D851-K880 WeakPolarHBondContact O-CB 3.32Å; D851-K880 PolarHBondContact O-N 2.93Å; Y852-K880 WeakPolarHBondContact O-CE 3.31Å; Y852-K880 PolarHBondContact O-NZ 3.15Å; E853-K880 HydrophobicContact CB-CG 3.86Å; E853-K880 HydrophobicContact CG-CG 4.08Å; K880-D882 VanDerWaalsContact CB-OD1 3.26Å; K880-D882 WeakPolarHBondContact CB-OD1 2.98Å; K880-D882 PolarHBondContact O-N 3.1Å; K880-S883 WeakPolarHBondContact O-CB 3.41Å; K880-S883 PolarHBondContact O-N 2.99Å
881	K	90.5	Very high	88.4	Confident	49 Å²	49	43.2 Å²	43.2	21%	0.213	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.6	-172.6	-48.7	-177.7	-163.1	-89.3	0	114	S604 D647 E648	S604-K881 PolarHBondContact OG-NZ 3.18Å; D647-K881 WeakPolarHBondContact CB-O 3.36Å; E648-K881 WeakPolarHBondContact OE2-CD 3.49Å; E648-K881 WeakPolarHBondContact OE2-CE 3.4Å; E648-K881 WeakPolarHBondContact OE2-CG 3.24Å; E648-K881 IonicContact OE2-NZ 3.9Å; E648-K881 PolarHBondContact OE2-NZ 3.28Å
882	D	88.4	Confident	87.9	Confident	95 Å²	95	48.9 Å²	48.9	51%	0.508	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-11	174.8	62.9	-6.9	0	0	0	114	K880 L884	K880-D882 VanDerWaalsContact CB-OD1 3.26Å; K880-D882 WeakPolarHBondContact CB-OD1 2.98Å; K880-D882 PolarHBondContact O-N 3.1Å; D882-L884 PolarHBondContact O-N 3.05Å
883	S	92.8	Very high	87.3	Confident	14 Å²	14	49.6 Å²	49.6	10%	0.098	23%	0.234	C	C	.	.			trans	-92.6	93.3	-161.1	-71.3	0	0	0	0	112.7	K880 C885	K880-S883 WeakPolarHBondContact O-CB 3.41Å; K880-S883 PolarHBondContact O-N 2.99Å; S883-C885 PolarHBondContact O-N 2.88Å; S883-C885 VanDerWaalsContact O-N 3.1Å
884	L	93.6	Very high	86.7	Confident	29 Å²	29	51.8 Å²	51.8	15%	0.152	24%	0.242	C	C	.	.			trans	-75.6	97.8	179	-172.8	66.5	0	0	0	111.9	L39 F40 T646 I843 R845 D882	L39-L884 HydrophobicContact CD2-CD2 3.51Å; F40-L884 HydrophobicContact CE1-CD2 4.03Å; F40-L884 HydrophobicContact CZ-CD1 3.98Å; F40-L884 HydrophobicContact CZ-CD2 3.83Å; T646-L884 HydrophobicContact CG2-CD1 3.75Å; I843-L884 HydrophobicContact CD1-CD1 4.28Å; I843-L884 HydrophobicContact CG1-CD1 4Å; R845-L884 PolarHBondContact NE-O 2.61Å; R845-L884 PolarHBondContact NH2-O 3.21Å; D882-L884 PolarHBondContact O-N 3.05Å
885	C	94.3	Very high	86.3	Confident	1 Å²	1	55 Å²	55	1%	0.007	26%	0.263	C	S	.	.			trans	-157.6	165.6	174	57.1	0	0	0	0	113.1	N624 R845 C847 L879 S883	N624-C885 PolarHBondContact ND2-O 3.41Å; R845-C885 CarbonylContact O-C 3.53Å; R845-C885 VanDerWaalsContact O-CA 3.31Å; R845-C885 WeakPolarHBondContact O-CA 3.5Å; R845-C885 WeakPolarHBondContact O-CB 3.44Å; C847-C885 WeakPolarHBondContact CA-SG 3.36Å; C847-C885 HydrophobicContact CB-CB 3.93Å; C847-C885 WeakPolarHBondContact CB-SG 3.45Å; C847-C885 VanDerWaalsContact SG-C 3.54Å; C847-C885 WeakPolarHBondContact SG-CB 3.34Å; C847-C885 CovalentContact SG-SG 2.04Å; C847-C885 PolarHBondContact SG-SG 2.91Å; L879-C885 VanDerWaalsContact CD1-SG 3.54Å; S883-C885 PolarHBondContact O-N 2.88Å; S883-C885 VanDerWaalsContact O-N 3.1Å
886	A	93	Very high	85.9	Confident	7 Å²	7	58 Å²	58	6%	0.058	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-90.8	126	172	0	0	0	0	0	110	M816 I843 R845 C847	M816-A886 HydrophobicContact CE-CB 3.78Å; M816-A886 HydrophobicContact SD-CB 3.9Å; I843-A886 HydrophobicContact CG2-CB 4.09Å; R845-A886 PolarHBondContact O-N 2.85Å; C847-A886 PolarHBondContact N-O 2.82Å; C847-A886 PolarHBondContact SG-O 2.91Å; C847-A886 VanDerWaalsContact SG-O 3.34Å
887	N	91.4	Very high	85.6	Confident	29 Å²	29	59.4 Å²	59.4	16%	0.155	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-66.2	158.8	175.4	-81.2	-63	0	0	0	111.9	N624 Y852	N624-N887 PolarHBondContact O-ND2 3.11Å; N624-N887 WeakPolarHBondContact OD1-CB 3.41Å; N624-N887 PolarHBondContact OD1-N 3.43Å; N624-N887 PolarHBondContact OD1-ND2 3.39Å; Y852-N887 VanDerWaalsContact CE1-OD1 3.23Å; Y852-N887 WeakPolarHBondContact CE1-OD1 3.36Å; Y852-N887 PolarHBondContact OH-OD1 3.41Å
888	E	84.6	Confident	85.5	Confident	101 Å²	101	60.4 Å²	60.4	47%	0.472	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-81.4	142.5	172	-165.6	135.9	-108.1	0	0	111	R625 K846 M891	R625-E888 PolarHBondContact NE-O 3Å; K846-E888 IonicContact NZ-OE1 2.58Å; K846-E888 PolarHBondContact NZ-OE1 2.84Å; E888-M891 HydrophobicContact CB-CB 4.32Å; E888-M891 HydrophobicContact CB-CE 4.11Å
889	Y	77.2	Confident	85.5	Confident	48 Å²	48	64.3 Å²	64.3	19%	0.188	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-43.7	-170.6	-151.7	-84.5	0	0	0	111.8	E70 N71 R625 E810 R814 M891	E70-Y889 HydrophobicContact CB-CE1 3.97Å; E70-Y889 WeakPolarHBondContact CB-OH 3.2Å; E70-Y889 VanDerWaalsContact CG-OH 3.22Å; E70-Y889 WeakPolarHBondContact CG-OH 3.47Å; E70-Y889 WeakPolarHBondContact OE2-CE1 3.42Å; E70-Y889 PolarHBondContact OE2-OH 3.26Å; N71-Y889 HydrophobicContact CB-CD1 4.5Å; N71-Y889 HydrophobicContact CB-CD2 3.96Å; N71-Y889 HydrophobicContact CB-CE1 4.3Å; N71-Y889 HydrophobicContact CB-CE2 3.72Å; N71-Y889 HydrophobicContact CB-CG 4.36Å; R625-Y889 PolarHBondContact NH2-O 3.19Å; E810-Y889 WeakPolarHBondContact OE1-CE2 3.08Å; E810-Y889 PolarHBondContact OE1-OH 3.06Å; R814-Y889 HydrophobicContact CB-CD2 4.03Å; R814-Y889 HydrophobicContact CB-CE1 4.29Å; R814-Y889 HydrophobicContact CB-CE2 3.41Å; R814-Y889 VanDerWaalsContact CB-CE2 3.41Å; R814-Y889 HydrophobicContact CG-CE1 4.41Å; R814-Y889 HydrophobicContact CG-CE2 4.34Å; Y889-M891 PolarHBondContact O-N 2.76Å
890	E	75.1	Confident	85.5	Confident	185 Å²	185	63.7 Å²	63.7	86%	0.864	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.1	-176.1	-66.2	170.1	-165.6	0	0	114.1	E892	E890-E892 PolarHBondContact O-N 2.76Å
891	M	75.6	Confident	85.5	Confident	41 Å²	41	64.2 Å²	64.2	20%	0.202	32%	0.319	C	S	.	.			trans	-64.7	129	-175.2	-173.4	174.7	-56.4	0	0	112.6	R625 Y852 K877 E888 Y889	R625-M891 PolarHBondContact NH1-O 3.32Å; R625-M891 PolarHBondContact NH2-O 3.28Å; Y852-M891 HydrophobicContact CE1-CE 4.49Å; Y852-M891 HydrophobicContact CE1-SD 3.86Å; Y852-M891 HydrophobicContact CE2-CE 4.02Å; Y852-M891 HydrophobicContact CE2-SD 4.3Å; Y852-M891 WeakPolarHBondContact OH-CE 3.38Å; K877-M891 HydrophobicContact CD-SD 4.08Å; K877-M891 PolarHBondContact NZ-SD 3.16Å; K877-M891 VanDerWaalsContact NZ-SD 3.38Å; E888-M891 HydrophobicContact CB-CB 4.32Å; E888-M891 HydrophobicContact CB-CE 4.11Å; Y889-M891 PolarHBondContact O-N 2.76Å
892	E	77.7	Confident	85.6	Confident	119 Å²	119	62.4 Å²	62.4	56%	0.556	31%	0.312	S	S	*	.			trans	-79.9	140.9	167.8	-166.5	166.6	-177	0	0	110.9	E890	E890-E892 PolarHBondContact O-N 2.76Å
893	T	77.2	Confident	85.7	Confident	23 Å²	23	60.7 Å²	60.7	14%	0.141	31%	0.305	C	S	.	.	S	Bend	trans	-93.1	-25.5	-177.7	43.2	0	0	0	0	113.3	P580 F876 K877	P580-T893 HydrophobicContact CG-CG2 4.44Å; F876-T893 CarbonylContact C-O 3.43Å; F876-T893 VanDerWaalsContact CA-O 3.29Å; F876-T893 WeakPolarHBondContact CA-O 3.44Å; K877-T893 PolarHBondContact N-O 3.17Å
894	R	77.4	Confident	85.5	Confident	90 Å²	90	62.1 Å²	62.1	34%	0.34	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	134.7	172.2	-174.2	-179.2	-83.5	146	-13.4	108.7	E874 F876 V897	E874-R894 IonicContact OE1-CZ 3.71Å; E874-R894 IonicContact OE1-NE 3.69Å; E874-R894 IonicContact OE1-NH2 2.66Å; E874-R894 PolarHBondContact OE1-NH2 3.17Å; E874-R894 IonicContact OE2-CZ 2.64Å; E874-R894 IonicContact OE2-NE 2.75Å; E874-R894 PolarHBondContact OE2-NE 3.24Å; E874-R894 IonicContact OE2-NH2 3.21Å; E874-R894 PolarHBondContact OE2-NH2 3.43Å; F876-R894 HydrophobicContact CD1-CB 4.29Å; F876-R894 HydrophobicContact CE1-CB 4.05Å; F876-R894 HydrophobicContact CE1-CG 4.43Å; R894-V897 HydrophobicContact CG-CG2 4.38Å
895	V	77.1	Confident	85.2	Confident	86 Å²	86	63.5 Å²	63.5	52%	0.521	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	-47.4	-175.9	-177.3	0	0	0	0	111.3	Q875 K877	Q875-V895 PolarHBondContact O-N 3.23Å; K877-V895 HydrophobicContact CB-CG2 3.53Å
896	Q	80.4	Confident	85	Confident	102 Å²	102	64.1 Å²	64.1	48%	0.477	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	151.1	-174.9	-171.3	173.1	-0	0	0	109.7	Q875	Q875-Q896 HydrophobicContact CB-CB 4.31Å; Q875-Q896 HydrophobicContact CG-CB 4.39Å; Q875-Q896 PolarHBondContact N-O 3.33Å
897	V	83.8	Confident	84.7	Confident	56 Å²	56	64.4 Å²	64.4	34%	0.339	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.9	167.5	-176.8	0	0	0	0	107.3	V872 E874 R894	V872-V897 HydrophobicContact CB-CG1 3.99Å; V872-V897 HydrophobicContact CG1-CG1 3.89Å; E874-V897 HydrophobicContact CG-CG1 4.31Å; E874-V897 HydrophobicContact CG-CG2 4.15Å; R894-V897 HydrophobicContact CG-CG2 4.38Å
898	E	88.5	Confident	84.5	Confident	78 Å²	78	63.5 Å²	63.5	36%	0.364	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.3	175.3	-175.1	-171.2	163.2	0	0	108.5	V872 R873	V872-E898 CarbonylContact C-O 3.17Å; V872-E898 WeakPolarHBondContact CA-O 3.09Å; R873-E898 HydrophobicContact CB-CB 4.35Å; R873-E898 IonicContact CZ-OE1 2.98Å; R873-E898 IonicContact CZ-OE2 2.79Å; R873-E898 PolarHBondContact N-O 3Å; R873-E898 IonicContact NH1-OE1 3.87Å; R873-E898 PolarHBondContact NH1-OE1 3.34Å; R873-E898 IonicContact NH1-OE2 3.25Å; R873-E898 PolarHBondContact NH1-OE2 2.83Å; R873-E898 PolarHBondContact O-N 2.77Å
899	F	91.1	Very high	84.6	Confident	111 Å²	111	59.3 Å²	59.3	49%	0.487	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.8	177.6	-60.5	-72.4	0	0	0	110.5	V872 R956 V958	V872-F899 HydrophobicContact CG1-CD1 3.9Å; V872-F899 HydrophobicContact CG1-CE1 4.19Å; F899-R956 HydrophobicContact CD1-CB 3.82Å; F899-R956 VanDerWaalsContact CD1-O 3.28Å; F899-R956 WeakPolarHBondContact CD1-O 3.31Å; F899-R956 HydrophobicContact CE1-CB 3.77Å; F899-V958 HydrophobicContact CB-CG1 4.3Å; F899-V958 HydrophobicContact CB-CG2 3.75Å
900	C	92.3	Very high	84.9	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.02	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-94.1	152.2	-176.4	-58.5	0	0	0	0	111.6	C868 G871 V872 R873 C957 V958	C868-C900 HydrophobicContact CB-CB 3.79Å; C868-C900 WeakPolarHBondContact CB-SG 3.28Å; C868-C900 WeakPolarHBondContact SG-CB 3.38Å; C868-C900 CovalentContact SG-SG 2.03Å; C868-C900 PolarHBondContact SG-SG 2.93Å; G871-C900 PolarHBondContact O-N 2.92Å; V872-C900 VanDerWaalsContact C-SG 3.55Å; R873-C900 PolarHBondContact N-SG 3.11Å; C900-C957 CarbonylContact O-C 3.52Å; C900-C957 WeakPolarHBondContact O-CA 3.36Å; C900-C957 WeakPolarHBondContact O-CB 3.35Å; C900-V958 PolarHBondContact O-N 3.15Å
901	P	93.8	Very high	85.4	Confident	81 Å²	81	51.2 Å²	51.2	53%	0.526	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-65.3	138.2	166.9	29.5	-34	0	0	0	110	V958	P901-V958 WeakPolarHBondContact CA-O 3.25Å
902	C	92	Very high	85.7	Confident	12 Å²	12	49.3 Å²	49.3	8%	0.081	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-62.7	145.1	-179.7	-56	0	0	0	0	111.9	Y907 C957 G959 W961	C902-Y907 HydrophobicContact CB-CE2 4.02Å; C902-C957 VanDerWaalsContact CA-SG 3.53Å; C902-C957 HydrophobicContact CB-CB 3.79Å; C902-C957 WeakPolarHBondContact CB-SG 3.31Å; C902-C957 WeakPolarHBondContact SG-CB 3.28Å; C902-C957 CovalentContact SG-SG 2.02Å; C902-C957 PolarHBondContact SG-SG 2.87Å; C902-G959 WeakPolarHBondContact CB-O 3.3Å; C902-G959 PolarHBondContact N-O 3.16Å; C902-G959 PolarHBondContact SG-O 2.99Å; C902-W961 WeakPolarHBondContact CB-O 3.38Å; C902-W961 WeakPolarHBondContact O-CB 3.44Å; C902-W961 PolarHBondContact O-N 3.49Å
903	T	91.2	Very high	86	Confident	58 Å²	58	46.2 Å²	46.2	36%	0.356	24%	0.241	S	C	.	.			trans	-124.3	169.2	174.6	74.5	0	0	0	0	109.7	S905 D906 Y907	T903-S905 PolarHBondContact O-N 2.81Å; T903-S905 WeakPolarHBondContact OG1-CB 3.48Å; T903-S905 PolarHBondContact OG1-N 3.39Å; T903-S905 PolarHBondContact OG1-OG 2.87Å; T903-D906 WeakPolarHBondContact CA-OD2 3.32Å; T903-D906 VanDerWaalsContact CB-OD2 3.31Å; T903-D906 WeakPolarHBondContact CB-OD2 3.45Å; T903-D906 PolarHBondContact N-OD2 3.4Å; T903-D906 PolarHBondContact O-N 3.36Å; T903-D906 PolarHBondContact OG1-OD2 2.97Å; T903-Y907 VanDerWaalsContact O-CD2 3.31Å; T903-Y907 WeakPolarHBondContact O-CD2 3.39Å
904	Q	88.6	Confident	86.3	Confident	44 Å²	44	49.4 Å²	49.4	21%	0.206	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-65.9	-16.3	174.7	-167.5	177	-14.7	0	0	113	L920 N921 Y949 W961	Q904-L920 HydrophobicContact CB-CD1 4.26Å; Q904-L920 HydrophobicContact CG-CB 3.9Å; Q904-L920 PolarHBondContact NE2-O 2.96Å; Q904-N921 PolarHBondContact NE2-OD1 3.05Å; Q904-Y949 HydrophobicContact CG-CE1 4.26Å; Q904-Y949 PolarHBondContact NE2-OH 3.46Å; Q904-W961 HydrophobicContact CB-CD2 4.12Å; Q904-W961 HydrophobicContact CB-CE3 4.24Å; Q904-W961 HydrophobicContact CB-CH2 4.38Å; Q904-W961 HydrophobicContact CB-CZ2 4.27Å; Q904-W961 HydrophobicContact CB-CZ3 4.37Å; Q904-W961 HydrophobicContact CG-CH2 3.8Å; Q904-W961 HydrophobicContact CG-CZ2 3.85Å; Q904-W961 HydrophobicContact CG-CZ3 4.15Å
905	S	86.8	Confident	86.5	Confident	58 Å²	58	47.4 Å²	47.4	41%	0.406	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-66	-41.1	175.6	-19.5	0	0	0	0	111.7	T903 Y907 R915	T903-S905 PolarHBondContact O-N 2.81Å; T903-S905 WeakPolarHBondContact OG1-CB 3.48Å; T903-S905 PolarHBondContact OG1-N 3.39Å; T903-S905 PolarHBondContact OG1-OG 2.87Å; S905-Y907 PolarHBondContact O-N 2.81Å; S905-R915 PolarHBondContact O-NH2 2.95Å
906	D	89.6	Confident	86.3	Confident	15 Å²	15	48.1 Å²	48.1	8%	0.08	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-72.6	-4.5	-172.2	-53.3	-55.4	0	0	0	113.2	T903 L951 I952 D955	T903-D906 WeakPolarHBondContact CA-OD2 3.32Å; T903-D906 VanDerWaalsContact CB-OD2 3.31Å; T903-D906 WeakPolarHBondContact CB-OD2 3.45Å; T903-D906 PolarHBondContact N-OD2 3.4Å; T903-D906 PolarHBondContact O-N 3.36Å; T903-D906 PolarHBondContact OG1-OD2 2.97Å; D906-L951 HydrophobicContact CB-CD1 4.34Å; D906-L951 WeakPolarHBondContact O-CD1 3.43Å; D906-I952 VanDerWaalsContact O-CG1 3.31Å; D906-I952 WeakPolarHBondContact O-CG1 3.44Å; D906-I952 PolarHBondContact O-N 3.46Å; D906-D955 WeakPolarHBondContact CB-OD2 3.39Å
907	Y	88.2	Confident	85.8	Confident	13 Å²	13	47.6 Å²	47.6	5%	0.051	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.4	175.2	-64.2	-106.3	0	0	0	110.9	C902 T903 S905 R915 R950 L951 W961 P963	C902-Y907 HydrophobicContact CB-CE2 4.02Å; T903-Y907 VanDerWaalsContact O-CD2 3.31Å; T903-Y907 WeakPolarHBondContact O-CD2 3.39Å; S905-Y907 PolarHBondContact O-N 2.81Å; Y907-R915 PolarHBondContact O-NH2 3.3Å; Y907-R950 CarbonylContact C-O 3.52Å; Y907-R950 WeakPolarHBondContact CA-O 3.42Å; Y907-R950 WeakPolarHBondContact CB-O 3.26Å; Y907-L951 HydrophobicContact CD1-CB 4.2Å; Y907-L951 HydrophobicContact CD1-CD1 4.4Å; Y907-L951 HydrophobicContact CD2-CD1 4.31Å; Y907-L951 HydrophobicContact CE1-CB 4.13Å; Y907-L951 HydrophobicContact CE1-CD1 4.15Å; Y907-L951 HydrophobicContact CE2-CD1 4.09Å; Y907-L951 HydrophobicContact CG-CD1 4.47Å; Y907-W961 HydrophobicContact CD1-CZ3 4.38Å; Y907-W961 AromaticContact CD2-CE3 3.64Å; Y907-W961 HydrophobicContact CD2-CE3 3.64Å; Y907-W961 AromaticContact CD2-CZ3 3.56Å; Y907-W961 HydrophobicContact CD2-CZ3 3.56Å; Y907-W961 AromaticContact CE2-CE3 3.59Å; Y907-W961 HydrophobicContact CE2-CE3 3.59Å; Y907-W961 AromaticContact CE2-CZ3 3.88Å; Y907-W961 HydrophobicContact CE2-CZ3 3.88Å; Y907-W961 HydrophobicContact CG-CE3 4.37Å; Y907-W961 AromaticContact CG-CZ3 3.83Å; Y907-W961 HydrophobicContact CG-CZ3 3.83Å; Y907-W961 PolarHBondContact OH-O 2.72Å; Y907-P963 HydrophobicContact CD1-CG 4Å; Y907-P963 HydrophobicContact CE1-CG 3.75Å
908	E	85.9	Confident	85.2	Confident	10 Å²	10	49.5 Å²	49.5	5%	0.047	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	175.9	167	63.6	165.2	156.9	0	0	111.3	S378 A426 Y949 R950 I952 P953	S378-E908 VanDerWaalsContact CB-OE2 3.3Å; S378-E908 WeakPolarHBondContact CB-OE2 3.24Å; S378-E908 PolarHBondContact OG-OE2 2.92Å; A426-E908 HydrophobicContact CB-CB 4.13Å; E908-Y949 CarbonylContact O-C 3.59Å; E908-Y949 WeakPolarHBondContact O-CA 3.33Å; E908-R950 VanDerWaalsContact CD-NE 3.33Å; E908-R950 HydrophobicContact CG-CG 3.69Å; E908-R950 PolarHBondContact N-O 2.85Å; E908-R950 PolarHBondContact O-N 3.44Å; E908-R950 IonicContact OE1-CZ 3.64Å; E908-R950 IonicContact OE1-NE 3.86Å; E908-R950 PolarHBondContact OE1-NE 3.38Å; E908-R950 IonicContact OE1-NH2 3.84Å; E908-R950 PolarHBondContact OE1-NH2 3.24Å; E908-R950 IonicContact OE2-NH2 3.21Å; E908-I952 HydrophobicContact CB-CG1 3.97Å; E908-I952 HydrophobicContact CG-CG1 4.15Å; E908-P953 WeakPolarHBondContact OE1-CD 3.17Å
909	C	86.6	Confident	84.9	Confident	13 Å²	13	47.6 Å²	47.6	9%	0.088	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.8	175.4	-58.3	0	0	0	0	111.6	F913 R915 C922 G948	C909-F913 HydrophobicContact CB-CB 3.96Å; C909-R915 WeakPolarHBondContact SG-CG 3.38Å; C909-R915 PolarHBondContact SG-N 3.41Å; C909-R915 VanDerWaalsContact SG-N 3.4Å; C909-C922 WeakPolarHBondContact CA-SG 3.43Å; C909-C922 HydrophobicContact CB-CB 3.85Å; C909-C922 WeakPolarHBondContact CB-SG 3.46Å; C909-C922 VanDerWaalsContact SG-CA 3.51Å; C909-C922 WeakPolarHBondContact SG-CB 3.2Å; C909-C922 CovalentContact SG-SG 2.04Å; C909-C922 PolarHBondContact SG-SG 3.15Å; C909-G948 WeakPolarHBondContact CA-O 3.06Å
910	E	85.1	Confident	84.5	Confident	33 Å²	33	45.7 Å²	45.7	15%	0.154	27%	0.267	C	S	.	.			trans	-70.1	161	175.9	-174.1	55.9	-80.2	0	0	111.5	G912 F913 G948 R950	E910-G912 PolarHBondContact O-N 3.49Å; E910-F913 WeakPolarHBondContact O-CB 3.37Å; E910-F913 PolarHBondContact O-N 3.48Å; E910-G948 PolarHBondContact N-O 3.14Å; E910-R950 WeakPolarHBondContact OE1-CD 3.09Å; E910-R950 IonicContact OE1-CZ 3.35Å; E910-R950 IonicContact OE1-NH1 3.65Å; E910-R950 PolarHBondContact OE1-NH1 3.44Å; E910-R950 WeakPolarHBondContact OE2-CD 3.4Å
911	Y	84.3	Confident	84.2	Confident	29 Å²	29	49.4 Å²	49.4	11%	0.114	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-38.3	121.7	177.2	-179.8	-83	0	0	0	113.6	H332 P334 I376 F913 I928 L931	H332-Y911 HydrophobicContact CB-CD2 4.48Å; H332-Y911 HydrophobicContact CB-CE2 4.18Å; P334-Y911 HydrophobicContact CB-CD2 4.32Å; P334-Y911 HydrophobicContact CB-CE2 3.97Å; P334-Y911 HydrophobicContact CG-CD2 3.87Å; P334-Y911 HydrophobicContact CG-CE2 3.9Å; I376-Y911 HydrophobicContact CG2-CD2 4.38Å; I376-Y911 HydrophobicContact CG2-CG 4.38Å; Y911-F913 VanDerWaalsContact C-N 3.34Å; Y911-I928 HydrophobicContact CE1-CG2 3.86Å; Y911-L931 HydrophobicContact CD1-CB 3.72Å; Y911-L931 HydrophobicContact CD1-CD2 4.41Å; Y911-L931 HydrophobicContact CE1-CB 3.89Å; Y911-L931 HydrophobicContact CG-CB 4.45Å; Y911-L931 HydrophobicContact CG-CD2 4.35Å
912	G	82	Confident	83.8	Confident	2 Å²	2	46.1 Å²	46.1	2%	0.021	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	3.6	180	0	0	0	0	0	115.5	E910 R924 N925	E910-G912 PolarHBondContact O-N 3.49Å; G912-R924 WeakPolarHBondContact O-CD 3.41Å; G912-R924 PolarHBondContact O-NE 2.96Å; G912-N925 VanDerWaalsContact O-CB 3.29Å; G912-N925 WeakPolarHBondContact O-CB 3.47Å; G912-N925 PolarHBondContact O-N 2.87Å
913	F	84.9	Confident	83.6	Confident	54 Å²	54	48.1 Å²	48.1	24%	0.237	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	163.3	169.3	-65.6	-108	0	0	0	111	C909 E910 Y911 C922 I923 R924 G948	C909-F913 HydrophobicContact CB-CB 3.96Å; E910-F913 WeakPolarHBondContact O-CB 3.37Å; E910-F913 PolarHBondContact O-N 3.48Å; Y911-F913 VanDerWaalsContact C-N 3.34Å; F913-C922 HydrophobicContact CB-CB 4.29Å; F913-I923 CarbonylContact C-O 3.52Å; F913-I923 VanDerWaalsContact CA-O 3.23Å; F913-I923 WeakPolarHBondContact CA-O 3.25Å; F913-R924 HydrophobicContact CD1-CB 3.92Å; F913-R924 HydrophobicContact CE1-CB 3.68Å; F913-R924 HydrophobicContact CE1-CG 4.39Å; F913-R924 HydrophobicContact CZ-CB 4.2Å; F913-R924 HydrophobicContact CZ-CG 4.43Å; F913-G948 VanDerWaalsContact CD2-CA 3.43Å; F913-G948 VanDerWaalsContact CG-CA 3.45Å
914	Y	81.8	Confident	83.2	Confident	89 Å²	89	50 Å²	50	35%	0.349	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151.3	177.6	68.6	-72.5	0	0	0	111.8	I923 N925	Y914-I923 HydrophobicContact CD1-CG1 4.07Å; Y914-I923 VanDerWaalsContact CD1-O 3.32Å; Y914-I923 WeakPolarHBondContact CD1-O 3.18Å; Y914-I923 HydrophobicContact CD2-CG1 4.5Å; Y914-I923 HydrophobicContact CE1-CD1 3.83Å; Y914-I923 HydrophobicContact CE1-CG1 3.74Å; Y914-I923 HydrophobicContact CE2-CD1 3.99Å; Y914-I923 HydrophobicContact CE2-CG1 4.21Å; Y914-I923 HydrophobicContact CG-CG1 4.45Å; Y914-I923 VanDerWaalsContact CZ-CD1 3.48Å; Y914-I923 PolarHBondContact N-O 3.05Å; Y914-I923 WeakPolarHBondContact O-CG1 3.32Å; Y914-I923 PolarHBondContact O-N 2.66Å; Y914-I923 WeakPolarHBondContact OH-CD1 3.35Å; Y914-N925 HydrophobicContact CD1-CB 3.91Å; Y914-N925 HydrophobicContact CE1-CB 4.03Å
915	R	82.1	Confident	82.9	Confident	49 Å²	49	48.8 Å²	48.8	19%	0.185	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	137.1	170.6	-67.8	-174.7	175	160.4	-12.6	109.5	A426 S905 Y907 C909	A426-R915 PolarHBondContact O-NH1 3.4Å; A426-R915 VanDerWaalsContact O-NH1 3.08Å; S905-R915 PolarHBondContact O-NH2 2.95Å; Y907-R915 PolarHBondContact O-NH2 3.3Å; C909-R915 WeakPolarHBondContact SG-CG 3.38Å; C909-R915 PolarHBondContact SG-N 3.41Å; C909-R915 VanDerWaalsContact SG-N 3.4Å
916	Q	73.8	Confident	82.8	Confident	100 Å²	100	50.9 Å²	50.9	47%	0.467	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-74.6	143.3	164.6	-70.8	-173.3	-36.6	0	0	109.8	G918 S919 I923	Q916-G918 PolarHBondContact O-N 2.78Å; Q916-S919 PolarHBondContact O-N 3Å; Q916-I923 HydrophobicContact CG-CD1 3.49Å; Q916-I923 VanDerWaalsContact CG-CD1 3.49Å; Q916-I923 HydrophobicContact CG-CG1 4Å
917	P	69.5	Low	82.4	Confident	92 Å²	92	59.7 Å²	59.7	60%	0.597	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	124.9	176.9	-29.5	36.7	0	0	0	112.7	P548 S919	P548-P917 HydrophobicContact CB-CB 4.42Å; P548-P917 HydrophobicContact CG-CB 3.64Å; P548-P917 HydrophobicContact CG-CG 4.27Å; P917-S919 VanDerWaalsContact C-N 3.33Å
918	G	70.8	Confident	81.9	Confident	96 Å²	96	59.5 Å²	59.5	99%	0.99	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	7.2	-176.3	0	0	0	0	0	115.5	Q916	Q916-G918 PolarHBondContact O-N 2.78Å
919	S	81.6	Confident	81.6	Confident	37 Å²	37	63.2 Å²	63.2	26%	0.259	34%	0.341	S	S	.	.			trans	-124.2	142	174.2	-167.5	0	0	0	0	111.6	Q916 P917 N921	Q916-S919 PolarHBondContact O-N 3Å; P917-S919 VanDerWaalsContact C-N 3.33Å; S919-N921 VanDerWaalsContact C-N 3.25Å; S919-N921 WeakPolarHBondContact OG-CB 3.35Å; S919-N921 PolarHBondContact OG-N 3.01Å
920	L	83.1	Confident	81.1	Confident	71 Å²	71	67 Å²	67	37%	0.372	37%	0.366	S	S	.	.			trans	-84.4	1	168.2	-60.7	178.8	0	0	0	112.4	Q904	Q904-L920 HydrophobicContact CB-CD1 4.26Å; Q904-L920 HydrophobicContact CG-CB 3.9Å; Q904-L920 PolarHBondContact NE2-O 2.96Å
921	N	85.6	Confident	80.8	Confident	82 Å²	82	67 Å²	67	44%	0.439	37%	0.366	S	S	.	.			trans	-79.7	124.8	-178.4	-67.3	-13.8	0	0	0	111.3	Q904 S919 Y949	Q904-N921 PolarHBondContact NE2-OD1 3.05Å; S919-N921 VanDerWaalsContact C-N 3.25Å; S919-N921 WeakPolarHBondContact OG-CB 3.35Å; S919-N921 PolarHBondContact OG-N 3.01Å; N921-Y949 WeakPolarHBondContact CA-OH 3.48Å
922	C	86.8	Confident	80.5	Confident	12 Å²	12	69.3 Å²	69.3	8%	0.081	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	119.9	173.2	-67.3	0	0	0	0	110.1	C909 F913 G948 Y949	C909-C922 WeakPolarHBondContact CA-SG 3.43Å; C909-C922 HydrophobicContact CB-CB 3.85Å; C909-C922 WeakPolarHBondContact CB-SG 3.46Å; C909-C922 VanDerWaalsContact SG-CA 3.51Å; C909-C922 WeakPolarHBondContact SG-CB 3.2Å; C909-C922 CovalentContact SG-SG 2.04Å; C909-C922 PolarHBondContact SG-SG 3.15Å; F913-C922 HydrophobicContact CB-CB 4.29Å; C922-G948 WeakPolarHBondContact CB-O 3.3Å; C922-Y949 HydrophobicContact CB-CD1 4.1Å; C922-Y949 HydrophobicContact CB-CD2 4.25Å; C922-Y949 HydrophobicContact CB-CE1 3.94Å; C922-Y949 HydrophobicContact CB-CE2 4.06Å; C922-Y949 HydrophobicContact CB-CG 4.26Å; C922-Y949 PolarHBondContact N-OH 3.39Å; C922-Y949 VanDerWaalsContact SG-CD1 3.6Å
923	I	86.5	Confident	80.3	Confident	54 Å²	54	69.6 Å²	69.6	28%	0.277	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.6	176.4	59.1	160.1	0	0	0	110.8	F913 Y914 Q916 N925	F913-I923 CarbonylContact C-O 3.52Å; F913-I923 VanDerWaalsContact CA-O 3.23Å; F913-I923 WeakPolarHBondContact CA-O 3.25Å; Y914-I923 HydrophobicContact CD1-CG1 4.07Å; Y914-I923 VanDerWaalsContact CD1-O 3.32Å; Y914-I923 WeakPolarHBondContact CD1-O 3.18Å; Y914-I923 HydrophobicContact CD2-CG1 4.5Å; Y914-I923 HydrophobicContact CE1-CD1 3.83Å; Y914-I923 HydrophobicContact CE1-CG1 3.74Å; Y914-I923 HydrophobicContact CE2-CD1 3.99Å; Y914-I923 HydrophobicContact CE2-CG1 4.21Å; Y914-I923 HydrophobicContact CG-CG1 4.45Å; Y914-I923 VanDerWaalsContact CZ-CD1 3.48Å; Y914-I923 PolarHBondContact N-O 3.05Å; Y914-I923 WeakPolarHBondContact O-CG1 3.32Å; Y914-I923 PolarHBondContact O-N 2.66Å; Y914-I923 WeakPolarHBondContact OH-CD1 3.35Å; Q916-I923 HydrophobicContact CG-CD1 3.49Å; Q916-I923 VanDerWaalsContact CG-CD1 3.49Å; Q916-I923 HydrophobicContact CG-CG1 4Å; I923-N925 PolarHBondContact O-N 3.38Å
924	R	84.2	Confident	80	Confident	96 Å²	96	68.5 Å²	68.5	36%	0.362	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	128.3	-176.7	-178.2	63.3	-164.9	-118.4	-5.9	110.7	G912 F913 P926 I928 P930	G912-R924 WeakPolarHBondContact O-CD 3.41Å; G912-R924 PolarHBondContact O-NE 2.96Å; F913-R924 HydrophobicContact CD1-CB 3.92Å; F913-R924 HydrophobicContact CE1-CB 3.68Å; F913-R924 HydrophobicContact CE1-CG 4.39Å; F913-R924 HydrophobicContact CZ-CB 4.2Å; F913-R924 HydrophobicContact CZ-CG 4.43Å; R924-P926 WeakPolarHBondContact O-CD 3.19Å; R924-I928 PolarHBondContact NH2-O 2.87Å; R924-P930 VanDerWaalsContact NH2-CA 3.26Å
925	N	82.4	Confident	79.8	Confident	19 Å²	19	68 Å²	68	10%	0.102	39%	0.387	C	S	.	.			trans	-77.7	120.3	167.3	-172	-20.9	0	0	0	109.2	G912 Y914 I923 Y927 I928	G912-N925 VanDerWaalsContact O-CB 3.29Å; G912-N925 WeakPolarHBondContact O-CB 3.47Å; G912-N925 PolarHBondContact O-N 2.87Å; Y914-N925 HydrophobicContact CD1-CB 3.91Å; Y914-N925 HydrophobicContact CE1-CB 4.03Å; I923-N925 PolarHBondContact O-N 3.38Å; N925-Y927 VanDerWaalsContact C-N 3.31Å; N925-Y927 PolarHBondContact O-N 3.26Å; N925-Y927 WeakPolarHBondContact OD1-CB 3.39Å; N925-Y927 WeakPolarHBondContact OD1-CD2 3.24Å; N925-Y927 PolarHBondContact OD1-N 2.87Å; N925-I928 HydrophobicContact CB-CB 4.39Å; N925-I928 HydrophobicContact CB-CD1 3.8Å; N925-I928 HydrophobicContact CB-CG1 4.08Å; N925-I928 VanDerWaalsContact ND2-CD1 3.27Å; N925-I928 WeakPolarHBondContact ND2-CD1 3.43Å
926	P	83.4	Confident	79.5	Confident	103 Å²	103	65.8 Å²	65.8	67%	0.669	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.3	-179.6	31.2	-36.2	0	0	0	113.4	R924 I928	R924-P926 WeakPolarHBondContact O-CD 3.19Å; P926-I928 VanDerWaalsContact C-N 3.33Å
927	Y	80.9	Confident	79.5	Confident	199 Å²	199	63 Å²	63	78%	0.78	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.6	-179.9	-55.9	-70.3	0	0	0	113.3	N925	N925-Y927 VanDerWaalsContact C-N 3.31Å; N925-Y927 PolarHBondContact O-N 3.26Å; N925-Y927 WeakPolarHBondContact OD1-CB 3.39Å; N925-Y927 WeakPolarHBondContact OD1-CD2 3.24Å; N925-Y927 PolarHBondContact OD1-N 2.87Å
928	I	78.7	Confident	79.5	Confident	10 Å²	10	64.4 Å²	64.4	5%	0.051	36%	0.363	C	S	.	.	S	Bend	trans	-99.1	118.2	179.5	-60.7	173.5	0	0	0	108	P334 T335 Y911 R924 N925 P926	P334-I928 HydrophobicContact CB-CD1 3.71Å; P334-I928 HydrophobicContact CB-CG1 4.4Å; P334-I928 HydrophobicContact CB-CG2 4.06Å; P334-I928 WeakPolarHBondContact O-CG2 3.21Å; T335-I928 HydrophobicContact CG2-CD1 4.14Å; T335-I928 HydrophobicContact CG2-CG1 4.22Å; Y911-I928 HydrophobicContact CE1-CG2 3.86Å; R924-I928 PolarHBondContact NH2-O 2.87Å; N925-I928 HydrophobicContact CB-CB 4.39Å; N925-I928 HydrophobicContact CB-CD1 3.8Å; N925-I928 HydrophobicContact CB-CG1 4.08Å; N925-I928 VanDerWaalsContact ND2-CD1 3.27Å; N925-I928 WeakPolarHBondContact ND2-CD1 3.43Å; P926-I928 VanDerWaalsContact C-N 3.33Å
929	P	79.2	Confident	79.4	Confident	87 Å²	87	68.1 Å²	68.1	57%	0.565	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-62.3	146.2	177.4	27.1	-34.3	0	0	0	110.3	L931	P929-L931 PolarHBondContact O-N 3.31Å
930	P	76.8	Confident	78.7	Confident	94 Å²	94	68.1 Å²	68.1	61%	0.61	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-60.2	138.4	175.7	27.1	-33.7	0	0	0	110.3	R924 D932	R924-P930 VanDerWaalsContact NH2-CA 3.26Å; P930-D932 PolarHBondContact O-N 3.11Å
931	L	78.9	Confident	78.1	Confident	32 Å²	32	66.1 Å²	66.1	17%	0.168	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-63.2	120.4	167.1	-178.5	51.5	0	0	0	108.1	H332 I376 Y911 P929 P933 L936	H332-L931 HydrophobicContact CB-CD1 4.27Å; H332-L931 WeakPolarHBondContact ND1-CD1 3.41Å; I376-L931 HydrophobicContact CD1-CD2 4.04Å; I376-L931 HydrophobicContact CG1-CD2 4.24Å; I376-L931 HydrophobicContact CG2-CD2 4.05Å; Y911-L931 HydrophobicContact CD1-CB 3.72Å; Y911-L931 HydrophobicContact CD1-CD2 4.41Å; Y911-L931 HydrophobicContact CE1-CB 3.89Å; Y911-L931 HydrophobicContact CG-CB 4.45Å; Y911-L931 HydrophobicContact CG-CD2 4.35Å; P929-L931 PolarHBondContact O-N 3.31Å; L931-P933 VanDerWaalsContact O-CD 3.28Å; L931-P933 WeakPolarHBondContact O-CD 3.46Å; L931-L936 HydrophobicContact CD2-CD1 3.89Å; L931-L936 HydrophobicContact CG-CD1 4.14Å
932	D	77.7	Confident	76.9	Confident	78 Å²	78	69 Å²	69	42%	0.417	35%	0.346	S	S	.	.			trans	-71.4	114.8	175.6	173.3	7.1	0	0	0	109.1	P930 C934 T935	P930-D932 PolarHBondContact O-N 3.11Å; D932-C934 PolarHBondContact O-N 3.48Å; D932-C934 VanDerWaalsContact O-N 3.09Å; D932-C934 WeakPolarHBondContact OD1-CB 3.34Å; D932-C934 PolarHBondContact OD1-N 3.14Å; D932-T935 HydrophobicContact CB-CG2 3.96Å; D932-T935 PolarHBondContact O-N 3.44Å; D932-T935 PolarHBondContact O-OG1 3.37Å
933	P	76.8	Confident	75.7	Confident	8 Å²	8	73.3 Å²	73.3	5%	0.052	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-57.5	-26	180	-25	36.5	0	0	0	113.3	L931 T935 L936 R941 I944 L973 I974	L931-P933 VanDerWaalsContact O-CD 3.28Å; L931-P933 WeakPolarHBondContact O-CD 3.46Å; P933-T935 VanDerWaalsContact C-N 3.26Å; P933-T935 PolarHBondContact O-N 2.76Å; P933-L936 PolarHBondContact O-N 3.35Å; P933-R941 WeakPolarHBondContact O-CD 3.32Å; P933-R941 VanDerWaalsContact O-CG 3.32Å; P933-R941 WeakPolarHBondContact O-CG 3.4Å; P933-I944 HydrophobicContact CB-CD1 3.95Å; P933-I944 HydrophobicContact CG-CD1 4.34Å; P933-L973 HydrophobicContact CG-CD2 4.12Å; P933-I974 HydrophobicContact CB-CG1 3.74Å; P933-I974 HydrophobicContact CG-CG1 4.35Å
934	C	79.1	Confident	74.5	Confident	31 Å²	31	72.3 Å²	72.3	21%	0.209	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-70.8	-23	180	-51.8	0	0	0	0	112.6	D932 L936 R941 C977	D932-C934 PolarHBondContact O-N 3.48Å; D932-C934 VanDerWaalsContact O-N 3.09Å; D932-C934 WeakPolarHBondContact OD1-CB 3.34Å; D932-C934 PolarHBondContact OD1-N 3.14Å; C934-L936 VanDerWaalsContact C-N 3.25Å; C934-L936 PolarHBondContact O-N 3.42Å; C934-R941 PolarHBondContact O-NH2 2.86Å; C934-C977 WeakPolarHBondContact CA-SG 3.29Å; C934-C977 HydrophobicContact CB-CB 3.85Å; C934-C977 WeakPolarHBondContact CB-SG 3.36Å; C934-C977 WeakPolarHBondContact SG-CA 3.26Å; C934-C977 WeakPolarHBondContact SG-CB 3.39Å; C934-C977 CovalentContact SG-SG 2.04Å; C934-C977 PolarHBondContact SG-SG 3.23Å
935	T	78.6	Confident	72.9	Confident	77 Å²	77	70.5 Å²	70.5	47%	0.472	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-73.2	-13.1	175.7	63.2	0	0	0	0	114.2	D932 P933	D932-T935 HydrophobicContact CB-CG2 3.96Å; D932-T935 PolarHBondContact O-N 3.44Å; D932-T935 PolarHBondContact O-OG1 3.37Å; P933-T935 VanDerWaalsContact C-N 3.26Å; P933-T935 PolarHBondContact O-N 2.76Å
936	L	76.2	Confident	71.9	Confident	4 Å²	4	73.5 Å²	73.5	2%	0.021	38%	0.376	C	S	.	.	S	Bend	trans	-95.5	150.9	-178.2	-66.6	168.1	0	0	0	112.3	I376 L931 P933 C934 Q940 R941 I944	I376-L936 HydrophobicContact CD1-CD1 3.84Å; I376-L936 HydrophobicContact CD1-CD2 3.89Å; I376-L936 HydrophobicContact CG1-CD2 4.07Å; L931-L936 HydrophobicContact CD2-CD1 3.89Å; L931-L936 HydrophobicContact CG-CD1 4.14Å; P933-L936 PolarHBondContact O-N 3.35Å; C934-L936 VanDerWaalsContact C-N 3.25Å; C934-L936 PolarHBondContact O-N 3.42Å; L936-Q940 HydrophobicContact CB-CB 4.48Å; L936-R941 HydrophobicContact CB-CG 4.5Å; L936-R941 WeakPolarHBondContact O-CG 3.43Å; L936-R941 PolarHBondContact O-NE 2.55Å; L936-I944 HydrophobicContact CD1-CD1 3.46Å; L936-I944 VanDerWaalsContact CD1-CD1 3.46Å; L936-I944 HydrophobicContact CD1-CG1 4.27Å
937	P	72.6	Confident	70.9	Confident	40 Å²	40	71.3 Å²	71.3	26%	0.26	36%	0.358	S	S	.	.			trans	-51.1	141	171.4	-30.5	36.4	0	0	0	113.6	N329 K939 Q940 R941	N329-P937 WeakPolarHBondContact OD1-CG 3.3Å; P937-K939 VanDerWaalsContact C-N 3.26Å; P937-K939 PolarHBondContact O-N 3.46Å; P937-Q940 WeakPolarHBondContact O-CA 3.39Å; P937-Q940 WeakPolarHBondContact O-CB 3.46Å; P937-Q940 PolarHBondContact O-N 3.36Å; P937-R941 PolarHBondContact O-N 3.05Å; P937-R941 VanDerWaalsContact O-N 3.08Å
938	R	70	Confident	70.8	Confident	122 Å²	122	61.9 Å²	61.9	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-49.3	-39.8	-174.4	-70.6	-176.3	-177.6	162.6	4.8	114.6	Q940 R941 D980	R938-Q940 VanDerWaalsContact C-N 3.33Å; R938-Q940 PolarHBondContact O-N 2.82Å; R938-R941 PolarHBondContact O-N 2.92Å; R938-D980 IonicContact CZ-OD2 3.81Å; R938-D980 IonicContact NE-OD2 2.72Å; R938-D980 PolarHBondContact NE-OD2 3Å; R938-D980 VanDerWaalsContact NH2-N 3.14Å; R938-D980 PolarHBondContact NH2-O 3.13Å; R938-D980 IonicContact NH2-OD2 2.67Å; R938-D980 PolarHBondContact NH2-OD2 3.17Å
939	K	68.1	Low	71.1	Confident	174 Å²	174	62.4 Å²	62.4	76%	0.757	32%	0.323	S	S	*	.	H	α-helix	trans	-63.3	-35.1	176.5	-68.7	-165.7	174.3	-165.1	0	113	P937	P937-K939 VanDerWaalsContact C-N 3.26Å; P937-K939 PolarHBondContact O-N 3.46Å
940	Q	67.4	Low	71.4	Confident	38 Å²	38	59 Å²	59	18%	0.178	30%	0.299	C	S	.	.	H	α-helix	trans	-84.5	-23.5	179.9	-64.4	170.4	8.3	0	0	112.8	L936 P937 R938 Q942 T943 I944	L936-Q940 HydrophobicContact CB-CB 4.48Å; P937-Q940 WeakPolarHBondContact O-CA 3.39Å; P937-Q940 WeakPolarHBondContact O-CB 3.46Å; P937-Q940 PolarHBondContact O-N 3.36Å; R938-Q940 VanDerWaalsContact C-N 3.33Å; R938-Q940 PolarHBondContact O-N 2.82Å; Q940-Q942 PolarHBondContact O-N 3.07Å; Q940-T943 PolarHBondContact O-N 2.68Å; Q940-T943 PolarHBondContact O-OG1 2.91Å; Q940-I944 WeakPolarHBondContact O-CG1 3.47Å
941	R	70.8	Confident	71.9	Confident	29 Å²	29	57.6 Å²	57.6	11%	0.109	29%	0.286	C	S	.	.	H	α-helix	trans	-53.4	-30.7	175.7	-58.2	-168.6	-176.2	159.2	0.3	112	P933 C934 L936 P937 R938 I974 D980	P933-R941 WeakPolarHBondContact O-CD 3.32Å; P933-R941 VanDerWaalsContact O-CG 3.32Å; P933-R941 WeakPolarHBondContact O-CG 3.4Å; C934-R941 PolarHBondContact O-NH2 2.86Å; L936-R941 HydrophobicContact CB-CG 4.5Å; L936-R941 WeakPolarHBondContact O-CG 3.43Å; L936-R941 PolarHBondContact O-NE 2.55Å; P937-R941 PolarHBondContact O-N 3.05Å; P937-R941 VanDerWaalsContact O-N 3.08Å; R938-R941 PolarHBondContact O-N 2.92Å; R941-I974 HydrophobicContact CB-CG2 4.09Å; R941-I974 WeakPolarHBondContact O-CD1 3.15Å; R941-D980 IonicContact CZ-OD2 3.92Å; R941-D980 IonicContact NH1-OD2 2.78Å; R941-D980 PolarHBondContact NH1-OD2 2.04Å; R941-D980 IonicContact NH2-OD2 3.05Å; R941-D980 PolarHBondContact NH2-OD2 2.91Å
942	Q	59.6	Low	72.3	Confident	142 Å²	142	56.3 Å²	56.3	66%	0.664	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-5	-177.9	-61.4	-178.6	-0.3	0	0	115.1	Q940 H945	Q940-Q942 PolarHBondContact O-N 3.07Å; Q942-H945 PolarHBondContact O-CD2 3.1Å; Q942-H945 PolarHBondContact O-NE2 2.91Å
943	T	61.3	Low	72.6	Confident	103 Å²	103	52.8 Å²	52.8	63%	0.632	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-9.8	179.9	51	0	0	0	0	113.7	Q940 H945	Q940-T943 PolarHBondContact O-N 2.68Å; Q940-T943 PolarHBondContact O-OG1 2.91Å; T943-H945 PolarHBondContact O-N 2.69Å
944	I	61.2	Low	72.8	Confident	32 Å²	32	53 Å²	53	16%	0.164	27%	0.265	C	S	.	.			trans	-79.6	40.2	-176	-27.4	168.8	0	0	0	112.7	P933 L936 Q940	P933-I944 HydrophobicContact CB-CD1 3.95Å; P933-I944 HydrophobicContact CG-CD1 4.34Å; L936-I944 HydrophobicContact CD1-CD1 3.46Å; L936-I944 VanDerWaalsContact CD1-CD1 3.46Å; L936-I944 HydrophobicContact CD1-CG1 4.27Å; Q940-I944 WeakPolarHBondContact O-CG1 3.47Å
945	H	52.5	Low	73.2	Confident	59 Å²	59	52.2 Å²	52.2	27%	0.273	26%	0.258	S	S	.	.			trans	-107.3	15	-164.2	-72.9	-22.4	0	0	0	115.9	Q942 T943 L971	Q942-H945 PolarHBondContact O-CD2 3.1Å; Q942-H945 PolarHBondContact O-NE2 2.91Å; T943-H945 PolarHBondContact O-N 2.69Å; H945-L971 VanDerWaalsContact NE2-CD2 3.29Å; H945-L971 WeakPolarHBondContact NE2-CD2 3.29Å
946	Q	59.6	Low	73.7	Confident	82 Å²	82	53 Å²	53	38%	0.383	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-115.1	152	-176.8	-63.6	-177	-2.8	0	0	111.4	G948 Y949 P963	Q946-G948 PolarHBondContact O-N 2.79Å; Q946-Y949 WeakPolarHBondContact CB-O 3.35Å; Q946-Y949 PolarHBondContact OE1-O 2.93Å; Q946-P963 HydrophobicContact CB-CB 4.36Å; Q946-P963 HydrophobicContact CB-CG 3.82Å; Q946-P963 VanDerWaalsContact CD-CG 3.41Å; Q946-P963 HydrophobicContact CG-CG 3.69Å
947	L	63.6	Low	74.4	Confident	56 Å²	56	53.5 Å²	53.5	29%	0.293	26%	0.256	S	S	.	.	S	Bend	trans	-76.3	47.2	-162.9	-118.8	166.7	0	0	0	116.1	Y949 P964 W966	L947-Y949 HydrophobicContact CB-CD2 4.37Å; L947-Y949 WeakPolarHBondContact O-CD2 3.33Å; L947-P964 HydrophobicContact CB-CG 4.04Å; L947-P964 VanDerWaalsContact CB-O 3.3Å; L947-P964 WeakPolarHBondContact CB-O 3.16Å; L947-P964 HydrophobicContact CD1-CB 3.78Å; L947-P964 HydrophobicContact CD1-CG 3.66Å; L947-P964 HydrophobicContact CG-CG 4.48Å; L947-W966 VanDerWaalsContact CD2-CD1 3.48Å; L947-W966 HydrophobicContact CG-CG 4.44Å
948	G	78.6	Confident	75.4	Confident	2 Å²	2	55.7 Å²	55.7	2%	0.021	27%	0.269	C	S	.	.	S	Bend	trans	84.3	14.8	-170.5	0	0	0	0	0	113.9	C909 E910 F913 C922 Q946	C909-G948 WeakPolarHBondContact CA-O 3.06Å; E910-G948 PolarHBondContact N-O 3.14Å; F913-G948 VanDerWaalsContact CD2-CA 3.43Å; F913-G948 VanDerWaalsContact CG-CA 3.45Å; C922-G948 WeakPolarHBondContact CB-O 3.3Å; Q946-G948 PolarHBondContact O-N 2.79Å
949	Y	85.6	Confident	76.4	Confident	21 Å²	21	52.1 Å²	52.1	8%	0.082	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	151.9	173.5	-62.4	-99.1	0	0	0	108.5	Q904 E908 N921 C922 Q946 L947 W961 P963	Q904-Y949 HydrophobicContact CG-CE1 4.26Å; Q904-Y949 PolarHBondContact NE2-OH 3.46Å; E908-Y949 CarbonylContact O-C 3.59Å; E908-Y949 WeakPolarHBondContact O-CA 3.33Å; N921-Y949 WeakPolarHBondContact CA-OH 3.48Å; C922-Y949 HydrophobicContact CB-CD1 4.1Å; C922-Y949 HydrophobicContact CB-CD2 4.25Å; C922-Y949 HydrophobicContact CB-CE1 3.94Å; C922-Y949 HydrophobicContact CB-CE2 4.06Å; C922-Y949 HydrophobicContact CB-CG 4.26Å; C922-Y949 PolarHBondContact N-OH 3.39Å; C922-Y949 VanDerWaalsContact SG-CD1 3.6Å; Q946-Y949 WeakPolarHBondContact CB-O 3.35Å; Q946-Y949 PolarHBondContact OE1-O 2.93Å; L947-Y949 HydrophobicContact CB-CD2 4.37Å; L947-Y949 WeakPolarHBondContact O-CD2 3.33Å; Y949-W961 AromaticContact CD1-CH2 3.92Å; Y949-W961 HydrophobicContact CD1-CH2 3.92Å; Y949-W961 HydrophobicContact CD1-CZ3 4.43Å; Y949-W961 AromaticContact CE1-CH2 3.89Å; Y949-W961 HydrophobicContact CE1-CH2 3.89Å; Y949-W961 HydrophobicContact CG-CH2 4.28Å; Y949-P963 HydrophobicContact CD2-CB 4.05Å; Y949-P963 HydrophobicContact CG-CB 4.01Å
950	R	85.1	Confident	77.5	Confident	15 Å²	15	46.5 Å²	46.5	6%	0.057	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.1	163.9	68.7	-175.1	-169.2	-166	9.2	109.4	I369 I376 S378 Y907 E908 E910	I369-R950 PolarHBondContact O-NH2 2.81Å; I376-R950 PolarHBondContact O-NH1 2.8Å; S378-R950 PolarHBondContact OG-NH2 2.83Å; Y907-R950 CarbonylContact C-O 3.52Å; Y907-R950 WeakPolarHBondContact CA-O 3.42Å; Y907-R950 WeakPolarHBondContact CB-O 3.26Å; E908-R950 VanDerWaalsContact CD-NE 3.33Å; E908-R950 HydrophobicContact CG-CG 3.69Å; E908-R950 PolarHBondContact N-O 2.85Å; E908-R950 PolarHBondContact O-N 3.44Å; E908-R950 IonicContact OE1-CZ 3.64Å; E908-R950 IonicContact OE1-NE 3.86Å; E908-R950 PolarHBondContact OE1-NE 3.38Å; E908-R950 IonicContact OE1-NH2 3.84Å; E908-R950 PolarHBondContact OE1-NH2 3.24Å; E908-R950 IonicContact OE2-NH2 3.21Å; E910-R950 WeakPolarHBondContact OE1-CD 3.09Å; E910-R950 IonicContact OE1-CZ 3.35Å; E910-R950 IonicContact OE1-NH1 3.65Å; E910-R950 PolarHBondContact OE1-NH1 3.44Å; E910-R950 WeakPolarHBondContact OE2-CD 3.4Å
951	L	86.7	Confident	78.6	Confident	64 Å²	64	48.4 Å²	48.4	34%	0.335	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	137.8	176.1	-171.2	72.9	0	0	0	109.7	D906 Y907 D955 C957	D906-L951 HydrophobicContact CB-CD1 4.34Å; D906-L951 WeakPolarHBondContact O-CD1 3.43Å; Y907-L951 HydrophobicContact CD1-CB 4.2Å; Y907-L951 HydrophobicContact CD1-CD1 4.4Å; Y907-L951 HydrophobicContact CD2-CD1 4.31Å; Y907-L951 HydrophobicContact CE1-CB 4.13Å; Y907-L951 HydrophobicContact CE1-CD1 4.15Å; Y907-L951 HydrophobicContact CE2-CD1 4.09Å; Y907-L951 HydrophobicContact CG-CD1 4.47Å; L951-D955 HydrophobicContact CD1-CB 4.17Å; L951-D955 HydrophobicContact CD2-CB 4.24Å; L951-D955 HydrophobicContact CG-CB 3.96Å; L951-C957 WeakPolarHBondContact CD1-SG 3.46Å
952	I	88	Confident	79.3	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.031	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-60.9	131.4	179	-67.1	166.5	0	0	0	109.3	R424 A426 L870 D906 E908 G954 D955	R424-I952 HydrophobicContact CB-CG2 4.13Å; A426-I952 HydrophobicContact CB-CD1 3.62Å; A426-I952 HydrophobicContact CB-CG1 4.16Å; L870-I952 HydrophobicContact CD2-CB 4.28Å; L870-I952 HydrophobicContact CD2-CG2 3.57Å; D906-I952 VanDerWaalsContact O-CG1 3.31Å; D906-I952 WeakPolarHBondContact O-CG1 3.44Å; D906-I952 PolarHBondContact O-N 3.46Å; E908-I952 HydrophobicContact CB-CG1 3.97Å; E908-I952 HydrophobicContact CG-CG1 4.15Å; I952-G954 PolarHBondContact O-N 2.73Å; I952-D955 HydrophobicContact CB-CB 4.28Å; I952-D955 WeakPolarHBondContact O-CB 3.48Å; I952-D955 PolarHBondContact O-N 3.28Å
953	P	83.6	Confident	80.4	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.019	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	125.4	-178.6	-30.6	36.2	0	0	0	114.2	S370 I372 R424 E908 D955	S370-P953 WeakPolarHBondContact O-CG 3.46Å; I372-P953 HydrophobicContact CG2-CB 4.02Å; R424-P953 PolarHBondContact NH1-O 3.06Å; E908-P953 WeakPolarHBondContact OE1-CD 3.17Å; P953-D955 PolarHBondContact O-N 3.21Å
954	G	80.5	Confident	81.2	Confident	14 Å²	14	45.5 Å²	45.5	14%	0.144	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	7.1	-176.8	0	0	0	0	0	115.1	R402 I952 R956	R402-G954 PolarHBondContact NH2-O 3.08Å; I952-G954 PolarHBondContact O-N 2.73Å; G954-R956 WeakPolarHBondContact O-CG 3.1Å
955	D	88.1	Confident	81.5	Confident	13 Å²	13	50.6 Å²	50.6	7%	0.07	28%	0.28	C	S	.	.			trans	-56.7	149.6	154.1	-166.1	-61.4	0	0	0	109.7	L870 G871 D906 L951 I952 P953 C957	L870-D955 WeakPolarHBondContact CA-OD2 3.05Å; L870-D955 WeakPolarHBondContact O-CA 3.49Å; G871-D955 VanDerWaalsContact CA-OD1 3.28Å; G871-D955 WeakPolarHBondContact CA-OD1 3.33Å; G871-D955 PolarHBondContact N-OD1 2.86Å; G871-D955 PolarHBondContact N-OD2 3.37Å; D906-D955 WeakPolarHBondContact CB-OD2 3.39Å; L951-D955 HydrophobicContact CD1-CB 4.17Å; L951-D955 HydrophobicContact CD2-CB 4.24Å; L951-D955 HydrophobicContact CG-CB 3.96Å; I952-D955 HydrophobicContact CB-CB 4.28Å; I952-D955 WeakPolarHBondContact O-CB 3.48Å; I952-D955 PolarHBondContact O-N 3.28Å; P953-D955 PolarHBondContact O-N 3.21Å; D955-C957 VanDerWaalsContact OD1-CB 3.29Å; D955-C957 WeakPolarHBondContact OD1-CB 3.18Å; D955-C957 PolarHBondContact OD1-N 3.36Å; D955-C957 PolarHBondContact OD1-SG 2.99Å; D955-C957 VanDerWaalsContact OD1-SG 3.36Å
956	R	88.9	Confident	81.8	Confident	95 Å²	95	53.4 Å²	53.4	36%	0.358	29%	0.288	S	S	.	.			trans	-133.8	25.8	-175.6	-47.7	-176.6	-179.1	173.3	-1.8	113.1	L870 V872 F899 G954	L870-R956 PolarHBondContact O-N 3.23Å; L870-R956 VanDerWaalsContact O-N 3.09Å; V872-R956 HydrophobicContact CG1-CB 3.95Å; V872-R956 HydrophobicContact CG1-CG 4.45Å; F899-R956 HydrophobicContact CD1-CB 3.82Å; F899-R956 VanDerWaalsContact CD1-O 3.28Å; F899-R956 WeakPolarHBondContact CD1-O 3.31Å; F899-R956 HydrophobicContact CE1-CB 3.77Å; G954-R956 WeakPolarHBondContact O-CG 3.1Å
957	C	91.1	Very high	81.6	Confident	14 Å²	14	55.3 Å²	55.3	10%	0.095	30%	0.301	C	S	.	.			trans	-65.1	151.8	-179.8	71.2	0	0	0	0	111.9	C900 C902 L951 D955	C900-C957 CarbonylContact O-C 3.52Å; C900-C957 WeakPolarHBondContact O-CA 3.36Å; C900-C957 WeakPolarHBondContact O-CB 3.35Å; C902-C957 VanDerWaalsContact CA-SG 3.53Å; C902-C957 HydrophobicContact CB-CB 3.79Å; C902-C957 WeakPolarHBondContact CB-SG 3.31Å; C902-C957 WeakPolarHBondContact SG-CB 3.28Å; C902-C957 CovalentContact SG-SG 2.02Å; C902-C957 PolarHBondContact SG-SG 2.87Å; L951-C957 WeakPolarHBondContact CD1-SG 3.46Å; D955-C957 VanDerWaalsContact OD1-CB 3.29Å; D955-C957 WeakPolarHBondContact OD1-CB 3.18Å; D955-C957 PolarHBondContact OD1-N 3.36Å; D955-C957 PolarHBondContact OD1-SG 2.99Å; D955-C957 VanDerWaalsContact OD1-SG 3.36Å
958	V	92.1	Very high	81.4	Confident	86 Å²	86	58.6 Å²	58.6	52%	0.521	32%	0.315	S	S	.	.			trans	-131.7	117.9	-173.8	-66.9	0	0	0	0	112.1	F899 C900 P901	F899-V958 HydrophobicContact CB-CG1 4.3Å; F899-V958 HydrophobicContact CB-CG2 3.75Å; C900-V958 PolarHBondContact O-N 3.15Å; P901-V958 WeakPolarHBondContact CA-O 3.25Å
959	G	91	Very high	80.5	Confident	46 Å²	46	62.9 Å²	62.9	47%	0.474	34%	0.341	S	S	.	.	S	Bend	trans	64.4	-153.1	-174.1	0	0	0	0	0	112.4	C902	C902-G959 WeakPolarHBondContact CB-O 3.3Å; C902-G959 PolarHBondContact N-O 3.16Å; C902-G959 PolarHBondContact SG-O 2.99Å
960	G	91.3	Very high	79.4	Confident	57 Å²	57	64 Å²	64	59%	0.588	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	79.3	-141.3	-179	0	0	0	0	0	113.4
961	W	91.5	Very high	78.4	Confident	77 Å²	77	66.8 Å²	66.8	29%	0.292	36%	0.364	S	S	.	.			trans	-70.5	134.6	179.3	-172.2	89	0	0	0	111.4	C902 Q904 Y907 Y949 P963	C902-W961 WeakPolarHBondContact CB-O 3.38Å; C902-W961 WeakPolarHBondContact O-CB 3.44Å; C902-W961 PolarHBondContact O-N 3.49Å; Q904-W961 HydrophobicContact CB-CD2 4.12Å; Q904-W961 HydrophobicContact CB-CE3 4.24Å; Q904-W961 HydrophobicContact CB-CH2 4.38Å; Q904-W961 HydrophobicContact CB-CZ2 4.27Å; Q904-W961 HydrophobicContact CB-CZ3 4.37Å; Q904-W961 HydrophobicContact CG-CH2 3.8Å; Q904-W961 HydrophobicContact CG-CZ2 3.85Å; Q904-W961 HydrophobicContact CG-CZ3 4.15Å; Y907-W961 HydrophobicContact CD1-CZ3 4.38Å; Y907-W961 AromaticContact CD2-CE3 3.64Å; Y907-W961 HydrophobicContact CD2-CE3 3.64Å; Y907-W961 AromaticContact CD2-CZ3 3.56Å; Y907-W961 HydrophobicContact CD2-CZ3 3.56Å; Y907-W961 AromaticContact CE2-CE3 3.59Å; Y907-W961 HydrophobicContact CE2-CE3 3.59Å; Y907-W961 AromaticContact CE2-CZ3 3.88Å; Y907-W961 HydrophobicContact CE2-CZ3 3.88Å; Y907-W961 HydrophobicContact CG-CE3 4.37Å; Y907-W961 AromaticContact CG-CZ3 3.83Å; Y907-W961 HydrophobicContact CG-CZ3 3.83Å; Y907-W961 PolarHBondContact OH-O 2.72Å; Y949-W961 AromaticContact CD1-CH2 3.92Å; Y949-W961 HydrophobicContact CD1-CH2 3.92Å; Y949-W961 HydrophobicContact CD1-CZ3 4.43Å; Y949-W961 AromaticContact CE1-CH2 3.89Å; Y949-W961 HydrophobicContact CE1-CH2 3.89Å; Y949-W961 HydrophobicContact CG-CH2 4.28Å; W961-P963 VanDerWaalsContact CH2-CA 3.48Å; W961-P963 HydrophobicContact CH2-CB 3.72Å; W961-P963 HydrophobicContact CZ3-CB 3.86Å; W961-P963 HydrophobicContact CZ3-CG 4.35Å
962	Q	85.3	Confident	77.4	Confident	138 Å²	138	67.4 Å²	67.4	65%	0.645	37%	0.367	S	S	*	.			trans	-123.3	141.4	171.8	-66.4	-179.8	-19.1	0	0	108.4
963	P	83	Confident	76.5	Confident	7 Å²	7	71 Å²	71	5%	0.045	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-64.1	145.5	175.6	25.8	-33.4	0	0	0	110.1	Y907 Q946 Y949 W961 I965	Y907-P963 HydrophobicContact CD1-CG 4Å; Y907-P963 HydrophobicContact CE1-CG 3.75Å; Q946-P963 HydrophobicContact CB-CB 4.36Å; Q946-P963 HydrophobicContact CB-CG 3.82Å; Q946-P963 VanDerWaalsContact CD-CG 3.41Å; Q946-P963 HydrophobicContact CG-CG 3.69Å; Y949-P963 HydrophobicContact CD2-CB 4.05Å; Y949-P963 HydrophobicContact CG-CB 4.01Å; W961-P963 VanDerWaalsContact CH2-CA 3.48Å; W961-P963 HydrophobicContact CH2-CB 3.72Å; W961-P963 HydrophobicContact CZ3-CB 3.86Å; W961-P963 HydrophobicContact CZ3-CG 4.35Å; P963-I965 PolarHBondContact O-N 3.11Å
964	P	77.5	Confident	75.8	Confident	68 Å²	68	72.3 Å²	72.3	44%	0.442	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-58.9	140	-179.7	22.5	-31.6	0	0	0	111.1	L947	L947-P964 HydrophobicContact CB-CG 4.04Å; L947-P964 VanDerWaalsContact CB-O 3.3Å; L947-P964 WeakPolarHBondContact CB-O 3.16Å; L947-P964 HydrophobicContact CD1-CB 3.78Å; L947-P964 HydrophobicContact CD1-CG 3.66Å; L947-P964 HydrophobicContact CG-CG 4.48Å
965	I	67.8	Low	75.4	Confident	140 Å²	140	78.6 Å²	78.6	72%	0.718	42%	0.416	S	S	*	.	B	Isolated β-bridge	trans	-81.7	140.4	-175.9	-57.9	172.2	0	0	0	109.3	P963	P963-I965 PolarHBondContact O-N 3.11Å
966	W	58	Low	74.9	Confident	117 Å²	117	81.8 Å²	81.8	44%	0.443	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-81	151.2	178.2	-144.6	55.7	0	0	0	112.6	L947 I970	L947-W966 VanDerWaalsContact CD2-CD1 3.48Å; L947-W966 HydrophobicContact CG-CG 4.44Å; W966-I970 HydrophobicContact CD2-CD1 4.25Å; W966-I970 HydrophobicContact CE3-CB 3.81Å; W966-I970 HydrophobicContact CE3-CD1 3.6Å; W966-I970 HydrophobicContact CE3-CG1 3.66Å; W966-I970 HydrophobicContact CZ3-CB 4.01Å; W966-I970 HydrophobicContact CZ3-CD1 3.77Å; W966-I970 HydrophobicContact CZ3-CG1 3.53Å
967	N	55.7	Low	74.4	Confident	123 Å²	123	77.9 Å²	77.9	66%	0.658	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-61.6	164.5	174.8	-73.8	-23.6	0	0	0	111.8	T969	N967-T969 PolarHBondContact O-N 3.05Å
968	Q	59.5	Low	73.6	Confident	124 Å²	124	81.6 Å²	81.6	58%	0.579	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.3	-23.3	-175.3	-89.6	78.2	0	0	0	117	I970 L971 D972	Q968-I970 VanDerWaalsContact C-N 3.33Å; Q968-I970 PolarHBondContact O-N 3.22Å; Q968-I970 VanDerWaalsContact O-N 3.16Å; Q968-L971 CarbonylContact O-C 3.53Å; Q968-L971 WeakPolarHBondContact O-CA 3.31Å; Q968-L971 WeakPolarHBondContact O-CB 3.45Å; Q968-L971 PolarHBondContact O-N 2.84Å; Q968-D972 PolarHBondContact O-N 2.94Å
969	T	61.2	Low	72.1	Confident	92 Å²	92	86.8 Å²	86.8	56%	0.564	46%	0.462	S	S	*	.	H	α-helix	trans	-58.5	-32.5	-167.5	-26.2	0	0	0	0	115.2	N967 L973	N967-T969 PolarHBondContact O-N 3.05Å; T969-L973 WeakPolarHBondContact O-CB 3.28Å; T969-L973 PolarHBondContact O-N 2.78Å; T969-L973 VanDerWaalsContact O-N 3.1Å
970	I	62	Low	70.4	Confident	44 Å²	44	87.9 Å²	87.9	23%	0.226	46%	0.457	C	S	.	.	H	α-helix	trans	-74.5	-42.3	172	-92.1	163.9	0	0	0	111	W966 Q968 D972 L973 I974	W966-I970 HydrophobicContact CD2-CD1 4.25Å; W966-I970 HydrophobicContact CE3-CB 3.81Å; W966-I970 HydrophobicContact CE3-CD1 3.6Å; W966-I970 HydrophobicContact CE3-CG1 3.66Å; W966-I970 HydrophobicContact CZ3-CB 4.01Å; W966-I970 HydrophobicContact CZ3-CD1 3.77Å; W966-I970 HydrophobicContact CZ3-CG1 3.53Å; Q968-I970 VanDerWaalsContact C-N 3.33Å; Q968-I970 PolarHBondContact O-N 3.22Å; Q968-I970 VanDerWaalsContact O-N 3.16Å; I970-D972 VanDerWaalsContact C-N 3.25Å; I970-D972 PolarHBondContact O-N 3.26Å; I970-L973 PolarHBondContact O-N 3.35Å; I970-L973 VanDerWaalsContact O-N 3.17Å; I970-I974 HydrophobicContact CG2-CD1 3.65Å; I970-I974 WeakPolarHBondContact O-CD1 3.39Å; I970-I974 WeakPolarHBondContact O-CG1 3.42Å; I970-I974 PolarHBondContact O-N 3.21Å
971	L	64	Low	68.2	Low	74 Å²	74	92.5 Å²	92.5	39%	0.387	47%	0.468	S	S	.	.	H	α-helix	trans	-59.6	-38.1	175.1	-76.4	159.7	0	0	0	111.4	H945 Q968 I974 K975	H945-L971 VanDerWaalsContact NE2-CD2 3.29Å; H945-L971 WeakPolarHBondContact NE2-CD2 3.29Å; Q968-L971 CarbonylContact O-C 3.53Å; Q968-L971 WeakPolarHBondContact O-CA 3.31Å; Q968-L971 WeakPolarHBondContact O-CB 3.45Å; Q968-L971 PolarHBondContact O-N 2.84Å; L971-I974 PolarHBondContact O-N 3.07Å; L971-K975 VanDerWaalsContact O-CG 3.24Å; L971-K975 WeakPolarHBondContact O-CG 3.41Å; L971-K975 PolarHBondContact O-N 3Å
972	D	66.5	Low	66	Low	77 Å²	77	92.1 Å²	92.1	41%	0.412	48%	0.482	S	S	.	.	H	α-helix	trans	-73.9	-31.6	176.9	-67.7	-22.8	0	0	0	112.6	Q968 I970 K975 S976	Q968-D972 PolarHBondContact O-N 2.94Å; I970-D972 VanDerWaalsContact C-N 3.25Å; I970-D972 PolarHBondContact O-N 3.26Å; D972-K975 PolarHBondContact O-N 2.85Å; D972-K975 IonicContact OD1-NZ 3.88Å; D972-K975 PolarHBondContact OD1-NZ 3.18Å; D972-S976 PolarHBondContact O-N 3.37Å; D972-S976 VanDerWaalsContact O-N 3.13Å
973	L	68.1	Low	64	Low	82 Å²	82	93 Å²	93	43%	0.429	49%	0.491	S	S	.	.	H	α-helix	trans	-67.8	-39.6	170.6	-166.9	68.8	0	0	0	111.6	P933 T969 I970 K975 S976 C977	P933-L973 HydrophobicContact CG-CD2 4.12Å; T969-L973 WeakPolarHBondContact O-CB 3.28Å; T969-L973 PolarHBondContact O-N 2.78Å; T969-L973 VanDerWaalsContact O-N 3.1Å; I970-L973 PolarHBondContact O-N 3.35Å; I970-L973 VanDerWaalsContact O-N 3.17Å; L973-K975 VanDerWaalsContact C-N 3.33Å; L973-K975 PolarHBondContact O-N 3.48Å; L973-S976 PolarHBondContact O-N 3.02Å; L973-S976 VanDerWaalsContact O-N 3.1Å; L973-S976 PolarHBondContact O-OG 3.39Å; L973-C977 PolarHBondContact O-N 2.95Å
974	I	69.3	Low	61.8	Low	30 Å²	30	99 Å²	99	15%	0.154	52%	0.522	C	S	.	.	H	α-helix	trans	-66	-36.8	175	-68	153	0	0	0	111.2	P933 R941 I970 L971 S976 C977	P933-I974 HydrophobicContact CB-CG1 3.74Å; P933-I974 HydrophobicContact CG-CG1 4.35Å; R941-I974 HydrophobicContact CB-CG2 4.09Å; R941-I974 WeakPolarHBondContact O-CD1 3.15Å; I970-I974 HydrophobicContact CG2-CD1 3.65Å; I970-I974 WeakPolarHBondContact O-CD1 3.39Å; I970-I974 WeakPolarHBondContact O-CG1 3.42Å; I970-I974 PolarHBondContact O-N 3.21Å; L971-I974 PolarHBondContact O-N 3.07Å; I974-S976 PolarHBondContact O-N 3.37Å; I974-C977 PolarHBondContact O-N 2.96Å
975	K	71.7	Confident	60	Low	146 Å²	146	102.5 Å²	102.5	64%	0.635	54%	0.537	S	S	*	.	H	α-helix	trans	-65.9	-23.8	171.7	-69.8	166.7	-151.4	164.3	0	113.3	L971 D972 L973	L971-K975 VanDerWaalsContact O-CG 3.24Å; L971-K975 WeakPolarHBondContact O-CG 3.41Å; L971-K975 PolarHBondContact O-N 3Å; D972-K975 PolarHBondContact O-N 2.85Å; D972-K975 IonicContact OD1-NZ 3.88Å; D972-K975 PolarHBondContact OD1-NZ 3.18Å; L973-K975 VanDerWaalsContact C-N 3.33Å; L973-K975 PolarHBondContact O-N 3.48Å
976	S	76.8	Confident	58.6	Low	80 Å²	80	101.4 Å²	101.4	56%	0.559	53%	0.533	S	S	*	.	H	α-helix	trans	-92.1	-6	179.2	73.5	0	0	0	0	114.1	D972 L973 I974	D972-S976 PolarHBondContact O-N 3.37Å; D972-S976 VanDerWaalsContact O-N 3.13Å; L973-S976 PolarHBondContact O-N 3.02Å; L973-S976 VanDerWaalsContact O-N 3.1Å; L973-S976 PolarHBondContact O-OG 3.39Å; I974-S976 PolarHBondContact O-N 3.37Å
977	C	78.8	Confident	57.7	Low	14 Å²	14	98.8 Å²	98.8	10%	0.095	53%	0.533	C	S	.	.	S	Bend	trans	-56.8	139	170.5	-65.9	0	0	0	0	110.9	C934 L973 I974 Y979	C934-C977 WeakPolarHBondContact CA-SG 3.29Å; C934-C977 HydrophobicContact CB-CB 3.85Å; C934-C977 WeakPolarHBondContact CB-SG 3.36Å; C934-C977 WeakPolarHBondContact SG-CA 3.26Å; C934-C977 WeakPolarHBondContact SG-CB 3.39Å; C934-C977 CovalentContact SG-SG 2.04Å; C934-C977 PolarHBondContact SG-SG 3.23Å; L973-C977 PolarHBondContact O-N 2.95Å; I974-C977 PolarHBondContact O-N 2.96Å; C977-Y979 PolarHBondContact O-N 2.91Å
978	P	74.3	Confident	56.6	Low	92 Å²	92	99.6 Å²	99.6	60%	0.597	54%	0.536	S	S	*	.			trans	-53	141.6	173.6	-26.8	35.4	0	0	0	112.1	D980	P978-D980 PolarHBondContact O-N 3.1Å; P978-D980 VanDerWaalsContact O-N 3.11Å
979	Y	60.4	Low	55.8	Low	195 Å²	195	99.9 Å²	99.9	77%	0.765	54%	0.54	S	S	*	.			trans	-74.2	100.1	165.7	-117.9	-95.6	0	0	0	107.9	C977 N981	C977-Y979 PolarHBondContact O-N 2.91Å; Y979-N981 PolarHBondContact O-N 3.09Å
980	D	56	Low	54.8	Low	68 Å²	68	98.9 Å²	98.9	36%	0.364	53%	0.534	S	S	.	.			trans	-61.8	101.5	175	-31.2	-81.3	0	0	0	108.4	R938 R941 P978 A982	R938-D980 IonicContact CZ-OD2 3.81Å; R938-D980 IonicContact NE-OD2 2.72Å; R938-D980 PolarHBondContact NE-OD2 3Å; R938-D980 VanDerWaalsContact NH2-N 3.14Å; R938-D980 PolarHBondContact NH2-O 3.13Å; R938-D980 IonicContact NH2-OD2 2.67Å; R938-D980 PolarHBondContact NH2-OD2 3.17Å; R941-D980 IonicContact CZ-OD2 3.92Å; R941-D980 IonicContact NH1-OD2 2.78Å; R941-D980 PolarHBondContact NH1-OD2 2.04Å; R941-D980 IonicContact NH2-OD2 3.05Å; R941-D980 PolarHBondContact NH2-OD2 2.91Å; P978-D980 PolarHBondContact O-N 3.1Å; P978-D980 VanDerWaalsContact O-N 3.11Å; D980-A982 PolarHBondContact O-N 2.69Å
981	N	44.4	Very low	54	Low	155 Å²	155	105.9 Å²	105.9	83%	0.829	57%	0.565	S	S	*	*			trans	-91.9	50.2	177.8	-69.7	-41.6	0	0	0	109.9	Y979	Y979-N981 PolarHBondContact O-N 3.09Å
982	A	44.8	Very low	53.2	Low	69 Å²	69	105.2 Å²	105.2	57%	0.57	56%	0.563	S	S	*	*			trans	-146.8	157.6	174.5	0	0	0	0	0	107.9	D980	D980-A982 PolarHBondContact O-N 2.69Å
983	D	44.3	Very low	53	Low	157 Å²	157	104.8 Å²	104.8	84%	0.84	57%	0.566	S	S	*	*	S	Bend	trans	74	74.1	-178.3	-53.2	-13.3	0	0	0	115.3	D985	D983-D985 PolarHBondContact O-N 3.28Å
984	D	37.6	Very low	53.2	Low	132 Å²	132	105.3 Å²	105.3	71%	0.706	57%	0.574	S	S	*	*			trans	37.3	71	143.3	-71.3	-28.6	0	0	0	118.9	N986	D984-N986 HydrophobicContact CB-CB 4.11Å; D984-N986 PolarHBondContact O-N 2.98Å; D984-N986 WeakPolarHBondContact OD1-CB 3.23Å; D984-N986 PolarHBondContact OD1-ND2 3.38Å
985	D	39	Very low	53.6	Low	141 Å²	141	107 Å²	107	75%	0.754	59%	0.593	S	S	*	*			trans	-78.7	56.2	131.6	-145.2	-27.1	0	0	0	109.7	D983 S987	D983-D985 PolarHBondContact O-N 3.28Å; D985-S987 PolarHBondContact O-N 3Å; D985-S987 VanDerWaalsContact O-N 3.14Å; D985-S987 WeakPolarHBondContact OD1-CB 3.11Å; D985-S987 PolarHBondContact OD1-OG 3.27Å
986	N	38.8	Very low	53.8	Low	118 Å²	118	102.8 Å²	102.8	63%	0.631	58%	0.579	S	S	*	*			trans	-80.5	30.4	168.2	-115	-46.5	0	0	0	110.6	D984 L988	D984-N986 HydrophobicContact CB-CB 4.11Å; D984-N986 PolarHBondContact O-N 2.98Å; D984-N986 WeakPolarHBondContact OD1-CB 3.23Å; D984-N986 PolarHBondContact OD1-ND2 3.38Å; N986-L988 VanDerWaalsContact C-N 3.35Å; N986-L988 PolarHBondContact O-N 2.9Å
987	S	39	Very low	53.9	Low	62 Å²	62	103.2 Å²	103.2	43%	0.434	57%	0.574	S	S	.	*			trans	-58.7	106	152.3	67.6	0	0	0	0	106.3	D985 I989	D985-S987 PolarHBondContact O-N 3Å; D985-S987 VanDerWaalsContact O-N 3.14Å; D985-S987 WeakPolarHBondContact OD1-CB 3.11Å; D985-S987 PolarHBondContact OD1-OG 3.27Å; S987-I989 PolarHBondContact O-N 2.9Å
988	L	32.5	Very low	54.2	Low	139 Å²	139	107.2 Å²	107.2	73%	0.728	59%	0.594	S	S	*	*			trans	-74.9	59.6	178.5	-162.1	85.7	0	0	0	110.1	N986 T990	N986-L988 VanDerWaalsContact C-N 3.35Å; N986-L988 PolarHBondContact O-N 2.9Å; L988-T990 HydrophobicContact CD2-CG2 3.89Å; L988-T990 HydrophobicContact CG-CG2 3.97Å; L988-T990 PolarHBondContact O-N 3.35Å
989	I	43.1	Very low	54.7	Low	130 Å²	130	106 Å²	106	67%	0.667	59%	0.587	S	S	*	*			trans	-65.3	72.6	155.3	-50.9	179.2	0	0	0	106	S987 H991	S987-I989 PolarHBondContact O-N 2.9Å; I989-H991 PolarHBondContact O-N 3.49Å
990	T	38.8	Very low	56	Low	71 Å²	71	100.9 Å²	100.9	44%	0.436	57%	0.572	S	S	.	*			trans	-40.2	119.7	153.4	46.6	0	0	0	0	106.1	L988 N992	L988-T990 HydrophobicContact CD2-CG2 3.89Å; L988-T990 HydrophobicContact CG-CG2 3.97Å; L988-T990 PolarHBondContact O-N 3.35Å; T990-N992 PolarHBondContact O-N 2.91Å; T990-N992 PolarHBondContact O-ND2 3.17Å; T990-N992 PolarHBondContact OG1-ND2 3.1Å
991	H	45.4	Very low	57.6	Low	191 Å²	191	102.5 Å²	102.5	88%	0.884	58%	0.58	S	S	*	*			trans	-73.5	70.4	-172.1	-133.1	-68.3	0	0	0	108.9	I989 S993	I989-H991 PolarHBondContact O-N 3.49Å; H991-S993 PolarHBondContact O-N 3.36Å; H991-S993 VanDerWaalsContact O-N 3.12Å
992	N	47.1	Very low	60	Low	61 Å²	61	100.8 Å²	100.8	33%	0.326	57%	0.57	S	S	.	*			trans	-65.8	114	-170.7	-86.8	-41.3	0	0	0	106.7	T990 T996 I997	T990-N992 PolarHBondContact O-N 2.91Å; T990-N992 PolarHBondContact O-ND2 3.17Å; T990-N992 PolarHBondContact OG1-ND2 3.1Å; N992-T996 VanDerWaalsContact C-OG1 3.32Å; N992-T996 WeakPolarHBondContact CA-OG1 3.4Å; N992-T996 WeakPolarHBondContact CB-OG1 3.4Å; N992-I997 HydrophobicContact CB-CG1 4.12Å
993	S	62.2	Low	62.2	Low	68 Å²	68	102.5 Å²	102.5	48%	0.476	57%	0.569	S	S	.	*			trans	-41.7	145.2	170.8	177.4	0	0	0	0	109.9	H991 A995 T996 I997	H991-S993 PolarHBondContact O-N 3.36Å; H991-S993 VanDerWaalsContact O-N 3.12Å; S993-A995 PolarHBondContact O-N 2.96Å; S993-T996 PolarHBondContact N-OG1 2.96Å; S993-T996 VanDerWaalsContact N-OG1 3.1Å; S993-T996 PolarHBondContact O-N 3.45Å; S993-T996 PolarHBondContact O-OG1 3.01Å; S993-I997 PolarHBondContact O-N 2.98Å
994	P	73.2	Confident	64.6	Low	92 Å²	92	99.3 Å²	99.3	60%	0.597	55%	0.551	S	S	*	*	H	α-helix	trans	-50.8	-28.7	178.2	17.6	-31.7	0	0	0	112.7	I997 I998	P994-I997 PolarHBondContact O-N 3.23Å; P994-I998 WeakPolarHBondContact O-CB 3.39Å; P994-I998 WeakPolarHBondContact O-CD1 3.3Å; P994-I998 WeakPolarHBondContact O-CG1 3.43Å; P994-I998 PolarHBondContact O-N 2.83Å
995	A	77.3	Confident	67.4	Low	67 Å²	67	99.2 Å²	99.2	55%	0.554	54%	0.544	S	S	*	.	H	α-helix	trans	-58.5	-43	170.8	0	0	0	0	0	114.3	S993 S999	S993-A995 PolarHBondContact O-N 2.96Å; A995-S999 VanDerWaalsContact O-CB 3.3Å; A995-S999 WeakPolarHBondContact O-CB 3.21Å; A995-S999 PolarHBondContact O-N 3.42Å
996	T	76	Confident	70	Confident	56 Å²	56	93.9 Å²	93.9	34%	0.344	52%	0.523	S	S	.	.	H	α-helix	trans	-72.3	-35.7	176.7	25.2	0	0	0	0	112.7	N992 S993 S999 I1000	N992-T996 VanDerWaalsContact C-OG1 3.32Å; N992-T996 WeakPolarHBondContact CA-OG1 3.4Å; N992-T996 WeakPolarHBondContact CB-OG1 3.4Å; S993-T996 PolarHBondContact N-OG1 2.96Å; S993-T996 VanDerWaalsContact N-OG1 3.1Å; S993-T996 PolarHBondContact O-N 3.45Å; S993-T996 PolarHBondContact O-OG1 3.01Å; T996-S999 WeakPolarHBondContact O-CB 3.02Å; T996-S999 PolarHBondContact O-N 3.16Å; T996-I1000 WeakPolarHBondContact O-CG1 3.07Å; T996-I1000 PolarHBondContact O-N 3.23Å
997	I	78.3	Confident	72.7	Confident	90 Å²	90	92.7 Å²	92.7	46%	0.462	52%	0.516	S	S	.	.	H	α-helix	trans	-65.3	-46.7	173.4	-60.3	176.7	0	0	0	110.1	N992 S993 P994 S999 I1000 I1001	N992-I997 HydrophobicContact CB-CG1 4.12Å; S993-I997 PolarHBondContact O-N 2.98Å; P994-I997 PolarHBondContact O-N 3.23Å; I997-S999 VanDerWaalsContact C-N 3.29Å; I997-S999 PolarHBondContact O-N 2.79Å; I997-I1000 PolarHBondContact O-N 2.7Å; I997-I1001 HydrophobicContact CG2-CD1 3.99Å; I997-I1001 WeakPolarHBondContact O-CG1 3.46Å; I997-I1001 PolarHBondContact O-N 3.2Å
998	I	85.5	Confident	75.3	Confident	98 Å²	98	93.7 Å²	93.7	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-59.5	-40.8	173.9	-69.5	164.7	0	0	0	110.8	P994 I1001 L1002	P994-I998 WeakPolarHBondContact O-CB 3.39Å; P994-I998 WeakPolarHBondContact O-CD1 3.3Å; P994-I998 WeakPolarHBondContact O-CG1 3.43Å; P994-I998 PolarHBondContact O-N 2.83Å; I998-I1001 PolarHBondContact O-N 2.77Å; I998-L1002 HydrophobicContact CG2-CD1 3.8Å; I998-L1002 HydrophobicContact CG2-CG 4.29Å; I998-L1002 WeakPolarHBondContact O-CB 3.34Å; I998-L1002 VanDerWaalsContact O-CG 3.27Å; I998-L1002 WeakPolarHBondContact O-CG 3.47Å; I998-L1002 PolarHBondContact O-N 2.04Å
999	S	84.4	Confident	78.2	Confident	67 Å²	67	91 Å²	91	47%	0.469	50%	0.501	S	S	.	.	H	α-helix	trans	-61.2	-44.6	175.8	-169.7	0	0	0	0	112.4	A995 T996 I997 L1002 L1003	A995-S999 VanDerWaalsContact O-CB 3.3Å; A995-S999 WeakPolarHBondContact O-CB 3.21Å; A995-S999 PolarHBondContact O-N 3.42Å; T996-S999 WeakPolarHBondContact O-CB 3.02Å; T996-S999 PolarHBondContact O-N 3.16Å; I997-S999 VanDerWaalsContact C-N 3.29Å; I997-S999 PolarHBondContact O-N 2.79Å; S999-L1002 PolarHBondContact O-N 2.89Å; S999-L1003 VanDerWaalsContact O-CB 3.29Å; S999-L1003 WeakPolarHBondContact O-CB 3.25Å; S999-L1003 PolarHBondContact O-N 2.92Å
1000	I	87.9	Confident	80.5	Confident	87 Å²	87	90.3 Å²	90.3	45%	0.446	50%	0.498	S	S	.	.	H	α-helix	trans	-63.4	-45	176.7	-68.8	163	0	0	0	110.8	T996 I997 L1002 L1003 I1004	T996-I1000 WeakPolarHBondContact O-CG1 3.07Å; T996-I1000 PolarHBondContact O-N 3.23Å; I997-I1000 PolarHBondContact O-N 2.7Å; I1000-L1002 PolarHBondContact O-N 3.4Å; I1000-L1003 PolarHBondContact O-N 2.75Å; I1000-I1004 HydrophobicContact CG2-CD1 3.83Å; I1000-I1004 HydrophobicContact CG2-CG1 4.49Å; I1000-I1004 WeakPolarHBondContact O-CG1 3.43Å; I1000-I1004 PolarHBondContact O-N 3.37Å
1001	I	91.2	Very high	83	Confident	101 Å²	101	91.2 Å²	91.2	52%	0.518	50%	0.5	S	S	.	.	H	α-helix	trans	-60.7	-46.3	176.8	-67.7	167.8	0	0	0	110.8	I997 I998 L1003 I1004 F1005	I997-I1001 HydrophobicContact CG2-CD1 3.99Å; I997-I1001 WeakPolarHBondContact O-CG1 3.46Å; I997-I1001 PolarHBondContact O-N 3.2Å; I998-I1001 PolarHBondContact O-N 2.77Å; I1001-L1003 VanDerWaalsContact C-N 3.32Å; I1001-L1003 PolarHBondContact O-N 2.96Å; I1001-I1004 PolarHBondContact O-N 3.09Å; I1001-F1005 WeakPolarHBondContact O-CB 3Å; I1001-F1005 PolarHBondContact O-N 2.85Å
1002	L	93.2	Very high	85.3	Confident	119 Å²	119	86 Å²	86	62%	0.623	48%	0.477	S	S	*	.	H	α-helix	trans	-64.1	-34.9	176.9	-72.6	172	0	0	0	112.6	I998 S999 I1000 G1006	I998-L1002 HydrophobicContact CG2-CD1 3.8Å; I998-L1002 HydrophobicContact CG2-CG 4.29Å; I998-L1002 WeakPolarHBondContact O-CB 3.34Å; I998-L1002 VanDerWaalsContact O-CG 3.27Å; I998-L1002 WeakPolarHBondContact O-CG 3.47Å; I998-L1002 PolarHBondContact O-N 2.04Å; S999-L1002 PolarHBondContact O-N 2.89Å; I1000-L1002 PolarHBondContact O-N 3.4Å; L1002-G1006 PolarHBondContact O-N 2.86Å
1003	L	92.4	Very high	87.2	Confident	106 Å²	106	88 Å²	88	56%	0.555	49%	0.487	S	S	*	.	H	α-helix	trans	-69.6	-45.1	177.1	-157.1	166.9	0	0	0	110.6	S999 I1000 I1001 G1006 I1007	S999-L1003 VanDerWaalsContact O-CB 3.29Å; S999-L1003 WeakPolarHBondContact O-CB 3.25Å; S999-L1003 PolarHBondContact O-N 2.92Å; I1000-L1003 PolarHBondContact O-N 2.75Å; I1001-L1003 VanDerWaalsContact C-N 3.32Å; I1001-L1003 PolarHBondContact O-N 2.96Å; L1003-G1006 PolarHBondContact O-N 2.88Å; L1003-I1007 HydrophobicContact CD2-CD1 3.47Å; L1003-I1007 VanDerWaalsContact CD2-CD1 3.47Å; L1003-I1007 HydrophobicContact CD2-CG1 4.06Å; L1003-I1007 WeakPolarHBondContact O-CG1 3.44Å; L1003-I1007 PolarHBondContact O-N 2.9Å
1004	I	93.9	Very high	88.4	Confident	90 Å²	90	92.4 Å²	92.4	46%	0.462	49%	0.494	S	S	.	.	H	α-helix	trans	-60.4	-47.1	173	-68.2	167.4	0	0	0	110.5	I1000 I1001 G1006 I1007 I1008	I1000-I1004 HydrophobicContact CG2-CD1 3.83Å; I1000-I1004 HydrophobicContact CG2-CG1 4.49Å; I1000-I1004 WeakPolarHBondContact O-CG1 3.43Å; I1000-I1004 PolarHBondContact O-N 3.37Å; I1001-I1004 PolarHBondContact O-N 3.09Å; I1004-G1006 VanDerWaalsContact C-N 3.29Å; I1004-G1006 PolarHBondContact O-N 2.89Å; I1004-I1007 PolarHBondContact O-N 2.69Å; I1004-I1008 HydrophobicContact CG2-CD1 3.85Å; I1004-I1008 HydrophobicContact CG2-CG1 4.47Å; I1004-I1008 WeakPolarHBondContact O-CG1 3.46Å; I1004-I1008 PolarHBondContact O-N 2.83Å
1005	F	95.6	Very high	88.9	Confident	129 Å²	129	92.9 Å²	92.9	57%	0.566	49%	0.489	S	S	*	.	H	α-helix	trans	-63.2	-37	178	-143.7	-94.8	0	0	0	111.7	I1001 I1008 I1009	I1001-F1005 WeakPolarHBondContact O-CB 3Å; I1001-F1005 PolarHBondContact O-N 2.85Å; F1005-I1008 PolarHBondContact O-N 3.39Å; F1005-I1009 HydrophobicContact CD1-CD1 3.65Å; F1005-I1009 HydrophobicContact CD1-CG1 4.26Å; F1005-I1009 HydrophobicContact CE1-CD1 3.94Å; F1005-I1009 HydrophobicContact CE1-CG1 4.48Å; F1005-I1009 WeakPolarHBondContact O-CB 3Å; F1005-I1009 VanDerWaalsContact O-CG1 3.31Å; F1005-I1009 WeakPolarHBondContact O-CG1 3.08Å; F1005-I1009 PolarHBondContact O-N 3.18Å
1006	G	94.3	Very high	89.1	Confident	30 Å²	30	96 Å²	96	31%	0.309	49%	0.491	S	S	.	.	H	α-helix	trans	-63.8	-41.8	172.1	0	0	0	0	0	113.4	L1002 L1003 I1004 I1009 L1010	L1002-G1006 PolarHBondContact O-N 2.86Å; L1003-G1006 PolarHBondContact O-N 2.88Å; I1004-G1006 VanDerWaalsContact C-N 3.29Å; I1004-G1006 PolarHBondContact O-N 2.89Å; G1006-I1009 PolarHBondContact O-N 3.22Å; G1006-L1010 WeakPolarHBondContact O-CB 3.04Å; G1006-L1010 WeakPolarHBondContact O-CG 3.33Å; G1006-L1010 PolarHBondContact O-N 2.03Å
1007	I	94.7	Very high	89.2	Confident	93 Å²	93	96.8 Å²	96.8	48%	0.477	50%	0.498	S	S	.	.	H	α-helix	trans	-63.8	-44.8	173.5	-72.2	170	0	0	0	110.7	L1003 I1004 L1010 L1011	L1003-I1007 HydrophobicContact CD2-CD1 3.47Å; L1003-I1007 VanDerWaalsContact CD2-CD1 3.47Å; L1003-I1007 HydrophobicContact CD2-CG1 4.06Å; L1003-I1007 WeakPolarHBondContact O-CG1 3.44Å; L1003-I1007 PolarHBondContact O-N 2.9Å; I1004-I1007 PolarHBondContact O-N 2.69Å; I1007-L1010 PolarHBondContact O-N 3.1Å; I1007-L1011 WeakPolarHBondContact O-CB 3.48Å; I1007-L1011 PolarHBondContact O-N 2.94Å
1008	I	93.7	Very high	88.8	Confident	82 Å²	82	95.1 Å²	95.1	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-62.7	-44.4	177.9	-67.6	169.5	0	0	0	110.6	I1004 F1005 L1011 I1012	I1004-I1008 HydrophobicContact CG2-CD1 3.85Å; I1004-I1008 HydrophobicContact CG2-CG1 4.47Å; I1004-I1008 WeakPolarHBondContact O-CG1 3.46Å; I1004-I1008 PolarHBondContact O-N 2.83Å; F1005-I1008 PolarHBondContact O-N 3.39Å; I1008-L1011 PolarHBondContact O-N 3.21Å; I1008-I1012 HydrophobicContact CG2-CD1 3.85Å; I1008-I1012 VanDerWaalsContact O-CG1 3.31Å; I1008-I1012 WeakPolarHBondContact O-CG1 3.46Å; I1008-I1012 PolarHBondContact O-N 2.84Å
1009	I	94.4	Very high	87.6	Confident	82 Å²	82	97.1 Å²	97.1	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-62	-43.5	174.5	-73.1	170.9	0	0	0	110.9	F1005 G1006 L1011 I1012 L1013	F1005-I1009 HydrophobicContact CD1-CD1 3.65Å; F1005-I1009 HydrophobicContact CD1-CG1 4.26Å; F1005-I1009 HydrophobicContact CE1-CD1 3.94Å; F1005-I1009 HydrophobicContact CE1-CG1 4.48Å; F1005-I1009 WeakPolarHBondContact O-CB 3Å; F1005-I1009 VanDerWaalsContact O-CG1 3.31Å; F1005-I1009 WeakPolarHBondContact O-CG1 3.08Å; F1005-I1009 PolarHBondContact O-N 3.18Å; G1006-I1009 PolarHBondContact O-N 3.22Å; I1009-L1011 VanDerWaalsContact C-N 3.34Å; I1009-L1011 PolarHBondContact O-N 2.8Å; I1009-I1012 PolarHBondContact O-N 3.46Å; I1009-L1013 HydrophobicContact CG2-CD1 3.76Å; I1009-L1013 HydrophobicContact CG2-CG 4.26Å; I1009-L1013 WeakPolarHBondContact O-CB 3.16Å; I1009-L1013 VanDerWaalsContact O-CG 3.26Å; I1009-L1013 WeakPolarHBondContact O-CG 3.2Å; I1009-L1013 PolarHBondContact O-N 2.88Å
1010	L	91.9	Very high	86.5	Confident	117 Å²	117	103.1 Å²	103.1	61%	0.613	51%	0.511	S	S	*	.	H	α-helix	trans	-62.1	-39.2	174.9	-85.2	165.5	0	0	0	112.3	G1006 I1007 L1013 W1014	G1006-L1010 WeakPolarHBondContact O-CB 3.04Å; G1006-L1010 WeakPolarHBondContact O-CG 3.33Å; G1006-L1010 PolarHBondContact O-N 2.03Å; I1007-L1010 PolarHBondContact O-N 3.1Å; L1010-L1013 PolarHBondContact O-N 2.86Å; L1010-W1014 WeakPolarHBondContact O-CB 3.33Å; L1010-W1014 PolarHBondContact O-N 2.72Å
1011	L	91.5	Very high	84.7	Confident	90 Å²	90	108.8 Å²	108.8	47%	0.471	53%	0.527	S	S	.	.	H	α-helix	trans	-65.7	-43.6	175	-110.1	166.1	0	0	0	111.8	I1007 I1008 I1009 W1014 M1015	I1007-L1011 WeakPolarHBondContact O-CB 3.48Å; I1007-L1011 PolarHBondContact O-N 2.94Å; I1008-L1011 PolarHBondContact O-N 3.21Å; I1009-L1011 VanDerWaalsContact C-N 3.34Å; I1009-L1011 PolarHBondContact O-N 2.8Å; L1011-W1014 PolarHBondContact O-N 2.9Å; L1011-M1015 WeakPolarHBondContact O-CB 3.46Å; L1011-M1015 VanDerWaalsContact O-CG 3.29Å; L1011-M1015 WeakPolarHBondContact O-CG 3.47Å; L1011-M1015 PolarHBondContact O-N 2.99Å
1012	I	92.1	Very high	82.7	Confident	81 Å²	81	112 Å²	112	42%	0.415	54%	0.541	S	S	.	.	H	α-helix	trans	-65.8	-40	176.3	-68.1	167.6	0	0	0	111.2	I1008 I1009 M1015 K1016	I1008-I1012 HydrophobicContact CG2-CD1 3.85Å; I1008-I1012 VanDerWaalsContact O-CG1 3.31Å; I1008-I1012 WeakPolarHBondContact O-CG1 3.46Å; I1008-I1012 PolarHBondContact O-N 2.84Å; I1009-I1012 PolarHBondContact O-N 3.46Å; I1012-M1015 HydrophobicContact CG1-CE 4.26Å; I1012-K1016 WeakPolarHBondContact O-CB 3.29Å; I1012-K1016 PolarHBondContact O-N 3.06Å
1013	L	88.4	Confident	80.3	Confident	102 Å²	102	114.1 Å²	114.1	53%	0.534	55%	0.55	S	S	.	.	H	α-helix	trans	-69	-38.9	175.1	-72.7	173.7	0	0	0	112	I1009 L1010 K1016 S1017	I1009-L1013 HydrophobicContact CG2-CD1 3.76Å; I1009-L1013 HydrophobicContact CG2-CG 4.26Å; I1009-L1013 WeakPolarHBondContact O-CB 3.16Å; I1009-L1013 VanDerWaalsContact O-CG 3.26Å; I1009-L1013 WeakPolarHBondContact O-CG 3.2Å; I1009-L1013 PolarHBondContact O-N 2.88Å; L1010-L1013 PolarHBondContact O-N 2.86Å; L1013-K1016 PolarHBondContact O-N 3.29Å; L1013-S1017 WeakPolarHBondContact O-CB 3.14Å; L1013-S1017 PolarHBondContact O-N 3.31Å
1014	W	85.7	Confident	78	Confident	161 Å²	161	113.4 Å²	113.4	61%	0.61	55%	0.554	S	S	*	*	H	α-helix	trans	-67.3	-43.8	175.4	-177.3	87	0	0	0	111.5	L1010 L1011 S1017 N1018	L1010-W1014 WeakPolarHBondContact O-CB 3.33Å; L1010-W1014 PolarHBondContact O-N 2.72Å; L1011-W1014 PolarHBondContact O-N 2.9Å; W1014-S1017 PolarHBondContact O-N 2.72Å; W1014-N1018 WeakPolarHBondContact CZ2-ND2 3.35Å; W1014-N1018 WeakPolarHBondContact O-CB 3.41Å; W1014-N1018 PolarHBondContact O-N 3.48Å
1015	M	85.3	Confident	75.5	Confident	103 Å²	103	115.4 Å²	115.4	51%	0.507	57%	0.57	S	S	.	*	H	α-helix	trans	-59.8	-49.9	172.4	-75.8	-170.4	-68.8	0	0	111	L1011 I1012 S1017 N1018 H1019	L1011-M1015 WeakPolarHBondContact O-CB 3.46Å; L1011-M1015 VanDerWaalsContact O-CG 3.29Å; L1011-M1015 WeakPolarHBondContact O-CG 3.47Å; L1011-M1015 PolarHBondContact O-N 2.99Å; I1012-M1015 HydrophobicContact CG1-CE 4.26Å; M1015-S1017 PolarHBondContact O-N 2.76Å; M1015-N1018 PolarHBondContact O-N 2.84Å; M1015-H1019 VanDerWaalsContact O-CB 3.23Å; M1015-H1019 WeakPolarHBondContact O-CB 3.27Å; M1015-H1019 PolarHBondContact O-N 2.83Å
1016	K	81.4	Confident	72.8	Confident	133 Å²	133	113.5 Å²	113.5	58%	0.578	57%	0.573	S	S	*	*	H	α-helix	trans	-59.5	-43.7	174.4	-84.7	-175.1	172	178.1	0	112.3	I1012 L1013 H1019 Y1020	I1012-K1016 WeakPolarHBondContact O-CB 3.29Å; I1012-K1016 PolarHBondContact O-N 3.06Å; L1013-K1016 PolarHBondContact O-N 3.29Å; K1016-H1019 PolarHBondContact O-N 3.43Å; K1016-Y1020 VanDerWaalsContact O-CD2 3.22Å; K1016-Y1020 WeakPolarHBondContact O-CD2 3.43Å; K1016-Y1020 PolarHBondContact O-N 3.31Å
1017	S	77	Confident	70.1	Confident	72 Å²	72	118.1 Å²	118.1	50%	0.503	59%	0.591	S	S	.	*	H	α-helix	trans	-60.1	-49.2	179	-179.3	0	0	0	0	111.7	L1013 W1014 M1015 Y1020 R1021	L1013-S1017 WeakPolarHBondContact O-CB 3.14Å; L1013-S1017 PolarHBondContact O-N 3.31Å; W1014-S1017 PolarHBondContact O-N 2.72Å; M1015-S1017 PolarHBondContact O-N 2.76Å; S1017-Y1020 PolarHBondContact O-N 3.49Å; S1017-R1021 WeakPolarHBondContact O-CB 3.46Å; S1017-R1021 PolarHBondContact O-N 2.86Å
1018	N	69.4	Low	67.3	Low	55 Å²	55	124.2 Å²	124.2	29%	0.294	61%	0.609	S	S	.	*	H	α-helix	trans	-67.7	-35.5	176	-83	-13.7	0	0	0	112.4	W1014 M1015 Y1020 R1021 M1022	W1014-N1018 WeakPolarHBondContact CZ2-ND2 3.35Å; W1014-N1018 WeakPolarHBondContact O-CB 3.41Å; W1014-N1018 PolarHBondContact O-N 3.48Å; M1015-N1018 PolarHBondContact O-N 2.84Å; N1018-Y1020 VanDerWaalsContact C-N 3.29Å; N1018-Y1020 PolarHBondContact O-N 3.46Å; N1018-R1021 CarbonylContact O-C 3.53Å; N1018-R1021 PolarHBondContact O-N 2.9Å; N1018-M1022 WeakPolarHBondContact O-CB 3.32Å; N1018-M1022 PolarHBondContact O-N 2.9Å
1019	H	62.4	Low	64.4	Low	140 Å²	140	130.5 Å²	130.5	65%	0.648	63%	0.628	S	S	*	*	H	α-helix	trans	-68	-28.7	177.5	-153.4	-44.5	0	0	0	112.6	M1015 K1016	M1015-H1019 VanDerWaalsContact O-CB 3.23Å; M1015-H1019 WeakPolarHBondContact O-CB 3.27Å; M1015-H1019 PolarHBondContact O-N 2.83Å; K1016-H1019 PolarHBondContact O-N 3.43Å
1020	Y	59.2	Low	61.6	Low	192 Å²	192	134.6 Å²	134.6	75%	0.753	65%	0.65	S	S	*	*	H	α-helix	trans	-76	-32.1	165.8	-80.2	-65.4	0	0	0	112.8	K1016 S1017 N1018 M1022	K1016-Y1020 VanDerWaalsContact O-CD2 3.22Å; K1016-Y1020 WeakPolarHBondContact O-CD2 3.43Å; K1016-Y1020 PolarHBondContact O-N 3.31Å; S1017-Y1020 PolarHBondContact O-N 3.49Å; N1018-Y1020 VanDerWaalsContact C-N 3.29Å; N1018-Y1020 PolarHBondContact O-N 3.46Å; Y1020-M1022 VanDerWaalsContact C-N 3.35Å; Y1020-M1022 PolarHBondContact O-N 3.47Å
1021	R	52.1	Low	58.9	Low	207 Å²	207	134 Å²	134	78%	0.781	65%	0.647	S	S	*	*	H	α-helix	trans	-79.8	-9.9	-179.8	-132.7	-175.5	80.6	-171	5.3	115.2	S1017 N1018	S1017-R1021 WeakPolarHBondContact O-CB 3.46Å; S1017-R1021 PolarHBondContact O-N 2.86Å; N1018-R1021 CarbonylContact O-C 3.53Å; N1018-R1021 PolarHBondContact O-N 2.9Å
1022	M	47.6	Very low	56.3	Low	168 Å²	168	137.5 Å²	137.5	83%	0.828	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	0.6	179.5	-155.4	162.1	-177.7	0	0	113.8	N1018 Y1020 S1024	N1018-M1022 WeakPolarHBondContact O-CB 3.32Å; N1018-M1022 PolarHBondContact O-N 2.9Å; Y1020-M1022 VanDerWaalsContact C-N 3.35Å; Y1020-M1022 PolarHBondContact O-N 3.47Å; M1022-S1024 PolarHBondContact O-N 3Å
1023	M	44.2	Very low	53.6	Low	163 Å²	163	143.9 Å²	143.9	80%	0.803	69%	0.685	S	S	*	*			trans	-88.3	72.9	166	-81.3	-162.5	168.7	0	0	111.9
1024	S	42.7	Very low	51.1	Low	92 Å²	92	147.3 Å²	147.3	64%	0.643	70%	0.698	S	S	*	*			trans	-152.4	138.5	159.2	-179.3	0	0	0	0	109.2	M1022	M1022-S1024 PolarHBondContact O-N 3Å
1025	T	41.5	Very low	48.7	Very low	131 Å²	131	148.7 Å²	148.7	80%	0.804	71%	0.709	S	S	*	*	S	Bend	trans	51.6	85.5	-176.3	54.2	0	0	0	0	113.9
1026	S	38.9	Very low	46.1	Very low	90 Å²	90	153 Å²	153	63%	0.629	73%	0.725	S	S	*	*				83.9	109.1	60.1	-170.8	0	0	0	0	113.3
1027	N	37.3	Very low	44.1	Very low	127 Å²	127	152.2 Å²	152.2	68%	0.679	73%	0.731	S	S	*	*			trans	68	156.8	176.2	-47.2	-39.6	0	0	0	113.3
1028	Y	35.8	Very low	41.9	Very low	220 Å²	220	156.1 Å²	156.1	86%	0.863	75%	0.746	S	S	*	*			cis	-132.8	161	19.5	-51.1	-93.3	0	0	0	111.6
1029	R	33	Very low	40.3	Very low	215 Å²	215	160 Å²	160	81%	0.811	77%	0.772	S	S	*	*			trans	-120.5	133.6	-177	171.4	-173.9	174.9	175.7	0.8	109.5	D1031	R1029-D1031 IonicContact NE-OD2 2.78Å; R1029-D1031 IonicContact NH2-OD2 3.22Å
1030	L	36.5	Very low	39.1	Very low	168 Å²	168	157.9 Å²	157.9	88%	0.88	77%	0.773	S	S	*	*			trans	-153.1	116.9	166.4	-114.7	149.6	0	0	0	110.5
1031	D	34.8	Very low	38	Very low	105 Å²	105	155.3 Å²	155.3	56%	0.561	77%	0.772	S	S	*	*			trans	-75	152.1	165.6	-67.6	-88.1	0	0	0	109.8	R1029	R1029-D1031 IonicContact NE-OD2 2.78Å; R1029-D1031 IonicContact NH2-OD2 3.22Å
1032	N	37.8	Very low	37.1	Very low	163 Å²	163	150.2 Å²	150.2	87%	0.872	77%	0.774	S	S	*	*				-170.8	158.9	124.2	-102.5	-33.6	0	0	0	114.8
1033	R	35.6	Very low	36.4	Very low	215 Å²	215	148.4 Å²	148.4	81%	0.811	77%	0.767	S	S	*	*			trans	-95.9	173.6	170	-64.6	176.6	178.4	177.7	-1.7	110.5
1034	H	36	Very low	35.9	Very low	174 Å²	174	147.7 Å²	147.7	81%	0.806	77%	0.767	S	S	*	*			trans	69.3	110.5	169.1	-55.4	-89.5	0	0	0	117.3
1035	F	34.4	Very low	35.4	Very low	189 Å²	189	155 Å²	155	83%	0.829	78%	0.78	S	S	*	*				-154.2	135.3	121.7	-139	-123.9	0	0	0	111.8	V1037	F1035-V1037 HydrophobicContact CD1-CB 4.02Å; F1035-V1037 HydrophobicContact CD1-CG2 4.3Å; F1035-V1037 HydrophobicContact CE1-CB 3.99Å; F1035-V1037 HydrophobicContact CE1-CG2 3.78Å
1036	K	31.6	Very low	35	Very low	195 Å²	195	157.3 Å²	157.3	85%	0.848	79%	0.787	S	S	*	*			trans	-84.3	143.2	150.4	-76.3	179	174.3	179	0	106.2
1037	V	39.3	Very low	35	Very low	116 Å²	116	161 Å²	161	70%	0.703	79%	0.794	S	S	*	*			trans	-168.6	150.2	143.3	127.5	0	0	0	0	110.8	F1035	F1035-V1037 HydrophobicContact CD1-CB 4.02Å; F1035-V1037 HydrophobicContact CD1-CG2 4.3Å; F1035-V1037 HydrophobicContact CE1-CB 3.99Å; F1035-V1037 HydrophobicContact CE1-CG2 3.78Å
1038	N	29.3	Very low	34.7	Very low	153 Å²	153	160.6 Å²	160.6	82%	0.818	79%	0.792	S	S	*	*			trans	-71.5	146.3	171.9	-63.4	-28.6	0	0	0	111.1
1039	T	36.9	Very low	34.5	Very low	136 Å²	136	161 Å²	161	83%	0.834	79%	0.792	S	S	*	*			trans	-154.6	122.7	142.3	12.4	0	0	0	0	111.2
1040	S	36.7	Very low	34.3	Very low	96 Å²	96	159.8 Å²	159.8	67%	0.671	79%	0.793	S	S	*	*			trans	-72.5	176.1	148.9	45.7	0	0	0	0	110.1
1041	N	35.4	Very low	34.3	Very low	139 Å²	139	158.8 Å²	158.8	74%	0.743	79%	0.787	S	S	*	*			trans	81.3	60.4	172.9	-52.6	-18.7	0	0	0	117.8
1042	A	33.5	Very low	34.4	Very low	100 Å²	100	158 Å²	158	83%	0.826	79%	0.787	S	S	*	*			trans	-148.4	87.6	148.3	0	0	0	0	0	107.6
1043	L	33.7	Very low	34	Very low	129 Å²	129	162.9 Å²	162.9	68%	0.675	79%	0.794	S	S	*	*			cis	64.4	89.1	37.7	-110.9	178.4	0	0	0	113.3
1044	N	32.8	Very low	33.8	Very low	148 Å²	148	160.5 Å²	160.5	79%	0.791	79%	0.789	S	S	*	*	S	Bend	trans	47.5	67.4	151.6	-62.3	-6.3	0	0	0	118
1045	R	32.7	Very low	33.7	Very low	245 Å²	245	162.5 Å²	162.5	93%	0.925	79%	0.79	S	S	*	*			trans	-157.5	36.5	167.7	-117.4	161.2	-154.1	-120.6	5.2	118.2
1046	L	33.9	Very low	33.6	Very low	181 Å²	181	160.6 Å²	160.6	95%	0.948	79%	0.788	S	S	*	*			trans	-139.7	55	168.8	-105.2	174.3	0	0	0	113.5
1047	H	37	Very low	33.9	Very low	167 Å²	167	156.5 Å²	156.5	77%	0.773	78%	0.782	S	S	*	*			trans	-104.8	144.8	161.3	-157.4	-71.7	0	0	0	108
1048	N	31.2	Very low	33.5	Very low	119 Å²	119	161 Å²	161	64%	0.636	79%	0.792	S	S	*	*			trans	72.6	86	-178.4	-51.7	-26.2	0	0	0	117
1049	W	31.8	Very low	33.5	Very low	229 Å²	229	160.1 Å²	160.1	87%	0.867	79%	0.793	S	S	*	*	S	Bend	trans	-169.1	105	136.8	-102.9	37.8	0	0	0	102.2
1050	F	30	Very low	33.1	Very low	189 Å²	189	156.9 Å²	156.9	83%	0.829	79%	0.786	S	S	*	*	S	Bend	cis	-139.2	124	43.6	-70.5	-100.1	0	0	0	113.9
1051	I	35.3	Very low	32.8	Very low	147 Å²	147	159.9 Å²	159.9	75%	0.754	79%	0.794	S	S	*	*			trans	-156.1	150.3	169.8	-56.6	-177.5	0	0	0	106.3
1052	P	36.8	Very low	32.7	Very low	88 Å²	88	159 Å²	159	57%	0.571	79%	0.793	S	S	*	*			cis	-127.1	172	-33.5	38.2	-23.6	0	0	0	112.5
1053	W	30	Very low	32.7	Very low	265 Å²	265	160.1 Å²	160.1	100%	1.004	79%	0.785	S	S	*	*			trans	-130.8	155.2	149.3	-93.4	75.5	0	0	0	111.6
1054	K	32.2	Very low	32.6	Very low	165 Å²	165	159.7 Å²	159.7	72%	0.717	78%	0.784	S	S	*	*			trans	-116.7	153.6	-161.1	-72.6	173.4	175.6	168.6	0	112.9
1055	R	33.2	Very low	32.9	Very low	216 Å²	216	158.5 Å²	158.5	82%	0.815	78%	0.777	S	S	*	*			trans	49.4	110.6	141.1	-72.5	179.3	-179.8	178.4	-2.7	118.5
1056	N	31.5	Very low	32.9	Very low	149 Å²	149	153 Å²	153	80%	0.797	77%	0.766	S	S	*	*				175.3	160.1	93.2	-96.3	-13.5	0	0	0	112.1
1057	P	38.4	Very low	32.9	Very low	110 Å²	110	150.8 Å²	150.8	71%	0.714	75%	0.754	S	S	*	*			trans	-93.5	164.1	-176.1	37.6	-35.9	0	0	0	113.8
1058	F	32	Very low	32.6	Very low	209 Å²	209	149.9 Å²	149.9	92%	0.917	76%	0.755	S	S	*	*			trans	-142.8	156.8	158	-120	-86.5	0	0	0	111.2
1059	T	27.9	Very low	32.5	Very low	136 Å²	136	147.5 Å²	147.5	83%	0.834	76%	0.759	S	S	*	*			trans	-110.2	154.3	-165.3	47.6	0	0	0	0	113.7
1060	G	30.1	Very low	32.4	Very low	68 Å²	68	148.1 Å²	148.1	70%	0.701	76%	0.761	S	S	*	*			trans	-175.3	90.4	173.7	0	0	0	0	0	114.7
1061	L	29.3	Very low	32.3	Very low	159 Å²	159	146 Å²	146	83%	0.832	76%	0.758	S	S	*	*			trans	25.8	134.6	135.2	-64.3	152.8	0	0	0	118.2
1062	V	33.2	Very low	32	Very low	120 Å²	120	144.1 Å²	144.1	73%	0.727	76%	0.758	S	S	*	*				-154.9	140.6	51.4	165.9	0	0	0	0	112.4
1063	N	33.5	Very low	31.6	Very low	123 Å²	123	146.4 Å²	146.4	66%	0.658	76%	0.764	S	S	*	*			trans	15.5	161.5	149.6	-53	-5.2	0	0	0	122.7
1064	N	32.7	Very low	31.4	Very low	121 Å²	121	140.9 Å²	140.9	65%	0.647	75%	0.754	S	S	*	*			cis	-176.9	150.3	-24.6	-91.1	-9	0	0	0	104.6
1065	N	37.4	Very low	31.3	Very low	123 Å²	123	138.4 Å²	138.4	66%	0.658	76%	0.755	S	S	*	*				179.8	147.5	70.1	-84.8	-68.8	0	0	0	109.7
1066	N	34.3	Very low	31.1	Very low	129 Å²	129	135.1 Å²	135.1	69%	0.69	76%	0.759	S	S	*	*			trans	60.1	145.6	137.8	-60.1	-0.9	0	0	0	120.5
1067	I	33.9	Very low	30.7	Very low	135 Å²	135	133.4 Å²	133.4	69%	0.692	76%	0.758	S	S	*	*			cis	-151.4	121.7	-4	-108.6	156.7	0	0	0	104.6
1068	D	30.2	Very low	30.1	Very low	147 Å²	147	133.9 Å²	133.9	79%	0.786	77%	0.765	S	S	*	*				67.4	121.5	82.9	-86.3	-38.1	0	0	0	116.3
1069	G	30	Very low	29.7	Very low	70 Å²	70	130.2 Å²	130.2	72%	0.722	76%	0.76	S	S	*	*			trans	123.6	123.2	164.1	0	0	0	0	0	117
1070	W	29.6	Very low	29.6	Very low	241 Å²	241	134.7 Å²	134.7	91%	0.913	76%	0.763	S	S	*	*			cis	-168.3	162.2	-23	-124.1	42.4	0	0	0	110.1
1071	N	27.3	Very low	29.3	Very low	144 Å²	144	138.1 Å²	138.1	77%	0.77	77%	0.765	S	S	*	*			trans	-74.9	150.4	-169.8	-51.5	-54.2	0	0	0	116.8
1072	S	29.4	Very low	29.1	Very low	109 Å²	109	137 Å²	137	76%	0.762	76%	0.76	S	S	*	*			trans	-176.2	122.4	133.4	-155.9	0	0	0	0	108.1
1073	I	27.5	Very low	28.7	Very low	135 Å²	135	136.6 Å²	136.6	69%	0.692	76%	0.763	S	S	*	*				59.8	97.5	60.8	-53.9	173.8	0	0	0	112.2
1074	D	27	Very low	28.2	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	77%	0.769	S	S	*	*				-175.2	151.3	106.2	-107.6	-31.6	0	0	0	112.9
1075	P	29.5	Very low	27.9	Very low	113 Å²	113	142 Å²	142	73%	0.734	78%	0.781	S	S	*	*			trans	-115.8	124.7	-179.8	37	-24.9	0	0	0	114.7
1076	V	28.3	Very low	27.2	Very low	147 Å²	147	143 Å²	143	89%	0.891	79%	0.786	S	S	*	*			trans	-140.9	141.5	170	-176.1	0	0	0	0	111.9
1077	S	22.9	Very low	26.7	Very low	113 Å²	113	144.7 Å²	144.7	79%	0.79	79%	0.794	S	S	*	*			trans	-85.3	141.4	179.4	56.7	0	0	0	0	114.4
1078	S	26.8	Very low	26.2	Very low	121 Å²	121	149.4 Å²	149.4	85%	0.846	80%	0.804	S	S	*	*			trans	-153.7	125.6	151.1	62.1	0	0	0	0	112.2
1079	T	24	Very low	26.2	Very low	132 Å²	132	147.6 Å²	147.6	81%	0.81	80%	0.8	S	S	*	*			trans	-70.8	142	174.4	47.1	0	0	0	0	112.9
1080	Y	25.7	Very low	26	Very low	229 Å²	229	149.2 Å²	149.2	90%	0.898	80%	0.798	S	S	*	*			trans	-147.7	154.4	145	-142.2	-95.8	0	0	0	111.9
1081	N	23.7	Very low	25.7	Very low	140 Å²	140	140.9 Å²	140.9	75%	0.749	77%	0.774	S	S	*	*			trans	-108	167.3	-169.5	-89.5	-15.9	0	0	0	113.5
1082	D	24.5	Very low	25.4	Very low	135 Å²	135	136.3 Å²	136.3	72%	0.722	75%	0.752	S	S	*	*			trans	65	137.7	169.8	-100.7	-45.3	0	0	0	115.1
1083	S	25.5	Very low	25.3	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	74%	0.741	S	S	*	*			cis	-152.6	158.4	33.6	50.3	0	0	0	0	115.9
1084	R	23.2	Very low	25	Very low	211 Å²	211	134.7 Å²	134.7	80%	0.796	75%	0.745	S	S	*	*			trans	-62.3	149.5	-176.1	-48.3	151.5	-172.9	172	-0.3	114.8
1085	T	25.2	Very low	25	Very low	145 Å²	145	132.5 Å²	132.5	89%	0.89	74%	0.737	S	S	*	*				-153.1	140.1	119.6	18.7	0	0	0	0	110.8
1086	N	22.8	Very low	24.8	Very low	145 Å²	145	133 Å²	133	78%	0.775	74%	0.743	S	S	*	*			trans	-93.5	162.3	178.3	-49	-20.7	0	0	0	110.5
1087	L	24.4	Very low	24.9	Very low	164 Å²	164	131.7 Å²	131.7	86%	0.859	74%	0.74	S	S	*	*			trans	-172.2	110.7	132.6	-102.8	157	0	0	0	111.5
1088	W	23.3	Very low	25	Very low	234 Å²	234	132.8 Å²	132.8	89%	0.886	73%	0.734	S	S	*	*			trans	-112.5	145.8	164.9	-77.4	37.6	0	0	0	108.3
1089	P	29	Very low	25.2	Very low	110 Å²	110	135.2 Å²	135.2	71%	0.714	73%	0.732	S	S	*	*			trans	-77.2	153.3	164.4	32.8	-32.2	0	0	0	111.1
1090	P	26.6	Very low	25.2	Very low	103 Å²	103	135.9 Å²	135.9	67%	0.669	72%	0.724	S	S	*	*			trans	-118.8	151.3	-148.8	40.4	-30.5	0	0	0	117.2	Q1175	P1090-Q1175 PolarHBondContact O-NE2 3.45Å; P1090-Q1175 VanDerWaalsContact O-NE2 3.11Å
1091	T	23.9	Very low	25.3	Very low	66 Å²	66	134.3 Å²	134.3	41%	0.405	73%	0.725	S	S	.	*			trans	-68.7	148.6	150.2	43.3	0	0	0	0	110.3	E82 T1093	E82-T1091 WeakPolarHBondContact OE1-CB 3.21Å; E82-T1091 WeakPolarHBondContact OE1-CG2 3.44Å; E82-T1091 PolarHBondContact OE1-OG1 3.04Å; T1091-T1093 PolarHBondContact O-N 3.09Å; T1091-T1093 VanDerWaalsContact O-N 3.16Å
1092	C	21.1	Very low	25.4	Very low	48 Å²	48	133.6 Å²	133.6	32%	0.324	73%	0.726	S	S	.	*			trans	-85	86.6	-176.4	-78.1	0	0	0	0	112.4	Q1175	C1092-Q1175 HydrophobicContact CB-CB 3.79Å; C1092-Q1175 HydrophobicContact CB-CG 4.23Å; C1092-Q1175 PolarHBondContact SG-NE2 2.86Å; C1092-Q1175 VanDerWaalsContact SG-NE2 3.43Å
1093	T	25.7	Very low	25.6	Very low	84 Å²	84	133.3 Å²	133.3	52%	0.515	73%	0.728	S	S	.	*			trans	-113.4	106.4	165.2	49.9	0	0	0	0	110.5	T1091 T1095	T1091-T1093 PolarHBondContact O-N 3.09Å; T1091-T1093 VanDerWaalsContact O-N 3.16Å; T1093-T1095 PolarHBondContact O-N 2.67Å
1094	T	22.4	Very low	25.7	Very low	127 Å²	127	135.9 Å²	135.9	78%	0.779	73%	0.727	S	S	*	*			trans	-90.6	79.3	179	55.4	0	0	0	0	111.8
1095	T	27.4	Very low	26	Very low	102 Å²	102	129.6 Å²	129.6	63%	0.626	72%	0.716	S	S	*	*			trans	-111	143.8	169	46.7	0	0	0	0	111	E84 T1093	E84-T1095 VanDerWaalsContact OE1-CB 3.3Å; E84-T1095 WeakPolarHBondContact OE1-CB 3.45Å; E84-T1095 WeakPolarHBondContact OE1-CG2 3.36Å; E84-T1095 PolarHBondContact OE1-OG1 2.86Å; T1093-T1095 PolarHBondContact O-N 2.67Å
1096	S	24.4	Very low	26.1	Very low	123 Å²	123	129.3 Å²	129.3	86%	0.86	71%	0.709	S	S	*	*			trans	-126.7	129.8	-166.1	68	0	0	0	0	112.3
1097	S	29.6	Very low	26.3	Very low	120 Å²	120	129 Å²	129	84%	0.839	71%	0.706	S	S	*	*			trans	-118.6	120.9	164.3	66.8	0	0	0	0	110.6
1098	M	26.5	Very low	26.5	Very low	136 Å²	136	130.8 Å²	130.8	67%	0.67	71%	0.708	S	S	*	*			trans	-48	151.7	-177.8	-35.3	-175.6	89.6	0	0	113	K1100	M1098-K1100 HydrophobicContact CE-CG 4.39Å
1099	H	29.6	Very low	26.5	Very low	172 Å²	172	128 Å²	128	80%	0.796	70%	0.702	S	S	*	*				-145.5	139.4	79.5	-117.7	-94.5	0	0	0	117.1
1100	K	25.1	Very low	26.5	Very low	147 Å²	147	130.8 Å²	130.8	64%	0.639	71%	0.709	S	S	*	*			trans	-50.1	140.7	-178.8	-56.7	155.5	177.8	169.1	0	114.3	M1098	M1098-K1100 HydrophobicContact CE-CG 4.39Å
1101	Q	27.9	Very low	26.5	Very low	195 Å²	195	132.8 Å²	132.8	91%	0.911	71%	0.714	S	S	*	*				-157.3	157.1	96.8	-108.3	177.7	-0.3	0	0	113.9
1102	T	25.3	Very low	26.5	Very low	126 Å²	126	135.7 Å²	135.7	77%	0.773	74%	0.736	S	S	*	*			trans	-93.5	154	-169.7	46.8	0	0	0	0	113.2
1103	V	28.7	Very low	26.9	Very low	128 Å²	128	141.4 Å²	141.4	78%	0.776	76%	0.761	S	S	*	*				-175.3	147.8	112.9	144.7	0	0	0	0	112.9
1104	H	27.1	Very low	26.9	Very low	167 Å²	167	145 Å²	145	77%	0.773	77%	0.772	S	S	*	*			trans	-28.1	158.1	165.6	-69.1	-95.1	0	0	0	119.3
1105	S	29.2	Very low	27.3	Very low	79 Å²	79	145.1 Å²	145.1	55%	0.552	78%	0.775	S	S	*	*			cis	177.8	168.2	-10.2	55.1	0	0	0	0	113.6
1106	N	28.1	Very low	27.3	Very low	139 Å²	139	148.9 Å²	148.9	74%	0.743	78%	0.783	S	S	*	*			trans	91.1	130.1	142.3	-71.6	-20.4	0	0	0	122.2
1107	L	26.8	Very low	27.7	Very low	138 Å²	138	150.4 Å²	150.4	72%	0.723	78%	0.78	S	S	*	*			trans	70	134.4	155.9	-61.7	159.1	0	0	0	116.1
1108	F	29	Very low	27.8	Very low	202 Å²	202	153.8 Å²	153.8	89%	0.886	78%	0.78	S	S	*	*			cis	-119.7	173.6	27.2	-100.4	-101.1	0	0	0	116.2
1109	K	23.7	Very low	27.8	Very low	176 Å²	176	154 Å²	154	77%	0.765	78%	0.784	S	S	*	*			trans	-117.3	144.5	176.4	-63.7	173.9	175.6	176.9	0	111.4
1110	I	28.6	Very low	28	Very low	168 Å²	168	154.1 Å²	154.1	86%	0.862	78%	0.782	S	S	*	*			trans	-132.6	145.7	145.9	-63.1	-173.2	0	0	0	109
1111	N	26.4	Very low	28.4	Very low	145 Å²	145	155.7 Å²	155.7	78%	0.775	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-71.9	144.3	-159.5	-53.1	-43.1	0	0	0	115.5
1112	C	23.5	Very low	28.3	Very low	128 Å²	128	153.2 Å²	153.2	87%	0.865	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-92.5	146.7	147.4	-66.7	0	0	0	0	109.5
1113	I	29.2	Very low	28.5	Very low	167 Å²	167	157.5 Å²	157.5	86%	0.856	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-89.2	138.3	173.4	-61.1	176.1	0	0	0	109
1114	Q	26.1	Very low	28.4	Very low	160 Å²	160	156.6 Å²	156.6	75%	0.748	79%	0.786	S	S	*	*			trans	-127.9	136.1	169	-82.5	-161.8	-27.2	0	0	110.9
1115	P	31.1	Very low	28.6	Very low	130 Å²	130	155.6 Å²	155.6	84%	0.844	79%	0.792	S	S	*	*			trans	-69	125.5	156.3	-7	23.9	0	0	0	109.2
1116	K	27.4	Very low	28.6	Very low	181 Å²	181	159.1 Å²	159.1	79%	0.787	80%	0.8	S	S	*	*			trans	-97.4	174.3	167.7	-85.5	-176.8	176.3	175.4	0	110.3
1117	I	33.2	Very low	28.5	Very low	155 Å²	155	159.8 Å²	159.8	80%	0.795	80%	0.801	S	S	*	*			trans	104.1	127.4	175.9	-59.3	158.8	0	0	0	110.2
1118	F	30.8	Very low	28.7	Very low	190 Å²	190	160.2 Å²	160.2	83%	0.833	80%	0.804	S	S	*	*			cis	-120.9	156.6	6.2	-125.7	-70.4	0	0	0	111.6
1119	N	27.1	Very low	28.7	Very low	141 Å²	141	157.4 Å²	157.4	75%	0.754	80%	0.798	S	S	*	*			trans	-150.1	138.1	168.7	-169.7	-9.6	0	0	0	110.1
1120	K	33.7	Very low	29.1	Very low	175 Å²	175	156.7 Å²	156.7	76%	0.761	80%	0.802	S	S	*	*			trans	-153.1	130.4	173.1	-136	179.3	-174.7	177.7	0	113.8
1121	Q	33.6	Very low	29.2	Very low	180 Å²	180	153.3 Å²	153.3	84%	0.841	79%	0.793	S	S	*	*			trans	76.3	91.6	166.1	-52.9	-145.3	-30.7	0	0	118.8
1122	L	26.6	Very low	29.5	Very low	142 Å²	142	150.8 Å²	150.8	74%	0.743	79%	0.787	S	S	*	*			trans	-67.9	156.4	147.9	-95	72.1	0	0	0	111.2
1123	K	29.1	Very low	29.8	Very low	217 Å²	217	151.8 Å²	151.8	94%	0.943	78%	0.784	S	S	*	*			trans	-142.8	149.2	131.5	-118.4	178.6	-177.5	-179.5	0	110.5
1124	T	27.1	Very low	29.9	Very low	108 Å²	108	151 Å²	151	66%	0.663	78%	0.781	S	S	*	*			trans	-126.2	148.5	-162	-23.4	0	0	0	0	111.6
1125	T	30.3	Very low	30.2	Very low	146 Å²	146	147.5 Å²	147.5	90%	0.896	78%	0.775	S	S	*	*			trans	-144.7	164.4	162.2	-11.5	0	0	0	0	110.2
1126	Q	29.5	Very low	30.2	Very low	153 Å²	153	148.1 Å²	148.1	72%	0.715	77%	0.771	S	S	*	*			trans	-126.6	157.5	-153.5	-67.9	177.5	-59.2	0	0	115.8
1127	M	26.2	Very low	30.3	Very low	154 Å²	154	145.1 Å²	145.1	76%	0.759	77%	0.768	S	S	*	*			trans	68.4	160.6	148.6	-71.7	158.8	-175.1	0	0	117
1128	N	30.9	Very low	30.2	Very low	147 Å²	147	144.3 Å²	144.3	79%	0.786	77%	0.765	S	S	*	*			cis	-146.7	175.7	18.1	-144.9	-9.4	0	0	0	114
1129	N	28.6	Very low	30.2	Very low	142 Å²	142	141.2 Å²	141.2	76%	0.759	76%	0.757	S	S	*	*			trans	-97.1	164.5	-175.2	-76.4	-25.8	0	0	0	115.7
1130	N	32.4	Very low	30.2	Very low	162 Å²	162	140.7 Å²	140.7	87%	0.866	75%	0.753	S	S	*	*			trans	142.4	154.8	148.1	-74.9	-14.2	0	0	0	112.2
1131	S	30.1	Very low	30.2	Very low	96 Å²	96	141.2 Å²	141.2	67%	0.671	76%	0.758	S	S	*	*			cis	-170	154.2	-21.4	173.3	0	0	0	0	110.9
1132	S	32.7	Very low	30	Very low	92 Å²	92	140.4 Å²	140.4	64%	0.643	75%	0.753	S	S	*	*			trans	56.5	122.3	149.8	51.7	0	0	0	0	123.4
1133	N	29.4	Very low	30.1	Very low	150 Å²	150	141.9 Å²	141.9	80%	0.802	76%	0.761	S	S	*	*				46.5	151.3	122.8	-56.8	13.4	0	0	0	120.7
1134	N	31.9	Very low	30.1	Very low	149 Å²	149	136.4 Å²	136.4	80%	0.797	75%	0.75	S	S	*	*			cis	-155.2	-175.2	33.4	-144.5	15.4	0	0	0	113.8
1135	S	31.8	Very low	30.3	Very low	87 Å²	87	138.9 Å²	138.9	61%	0.608	76%	0.759	S	S	*	*			trans	-96.3	163.3	-171.2	61.4	0	0	0	0	116.6
1136	N	31.9	Very low	30.5	Very low	144 Å²	144	136.5 Å²	136.5	77%	0.77	75%	0.747	S	S	*	*			trans	145.8	156.2	137.9	-75.2	3.7	0	0	0	111.6
1137	V	30.4	Very low	30.6	Very low	118 Å²	118	136.2 Å²	136.2	72%	0.715	75%	0.75	S	S	*	*			cis	175.5	149.9	-38.7	133.7	0	0	0	0	107.2
1138	N	29.2	Very low	30.8	Very low	137 Å²	137	138.7 Å²	138.7	73%	0.733	76%	0.756	S	S	*	*			trans	88.7	152.9	160.6	-95.2	34.1	0	0	0	124.4
1139	D	31.7	Very low	30.8	Very low	126 Å²	126	139 Å²	139	67%	0.674	76%	0.758	S	S	*	*			trans	79.8	69.6	152.8	-53	-18.8	0	0	0	122.5
1140	I	27.9	Very low	31	Very low	130 Å²	130	139.8 Å²	139.8	67%	0.667	76%	0.762	S	S	*	*				31.5	124	107.4	-54.3	170.2	0	0	0	118
1141	H	32.4	Very low	30.8	Very low	185 Å²	185	141.1 Å²	141.1	86%	0.856	76%	0.763	S	S	*	*				-168.6	152.2	116.9	-111.3	-79.3	0	0	0	114.1
1142	H	29.7	Very low	30.7	Very low	163 Å²	163	142.3 Å²	142.3	76%	0.755	77%	0.766	S	S	*	*			trans	-86.2	155	179.7	-59.5	-110.7	0	0	0	112.9
1143	L	29.9	Very low	30.3	Very low	173 Å²	173	145.2 Å²	145.2	91%	0.906	77%	0.773	S	S	*	*				179.7	171.8	108.8	-96.7	158	0	0	0	112.8
1144	S	27.3	Very low	30.3	Very low	102 Å²	102	144.9 Å²	144.9	71%	0.713	77%	0.77	S	S	*	*			trans	-123	149	-163.7	53	0	0	0	0	113.8
1145	D	32.3	Very low	29.9	Very low	160 Å²	160	144.5 Å²	144.5	86%	0.856	77%	0.766	S	S	*	*			trans	-163.3	159.8	136.7	-129.6	16.9	0	0	0	112.1
1146	P	34.1	Very low	29.8	Very low	97 Å²	97	145.6 Å²	145.6	63%	0.63	77%	0.771	S	S	*	*			trans	-110.2	-167.4	-166.7	42.5	-37.2	0	0	0	115.8
1147	N	31	Very low	29.4	Very low	146 Å²	146	148 Å²	148	78%	0.781	78%	0.775	S	S	*	*			trans	74.9	98.7	166.1	-65.9	-36.3	0	0	0	119.4
1148	K	32.1	Very low	29.4	Very low	206 Å²	206	152.1 Å²	152.1	90%	0.896	78%	0.783	S	S	*	*				-169.6	148.2	108.7	-105.8	166.2	-176.6	173.1	0	113.9
1149	N	30.7	Very low	29.3	Very low	153 Å²	153	151.9 Å²	151.9	82%	0.818	79%	0.787	S	S	*	*			trans	-71	141.6	176.1	-58.9	-8.7	0	0	0	111.6
1150	N	31.4	Very low	28.9	Very low	159 Å²	159	153.5 Å²	153.5	85%	0.85	79%	0.794	S	S	*	*			trans	-165.4	145.4	132.7	-102.2	-19.7	0	0	0	110.6
1151	H	28.5	Very low	28.8	Very low	190 Å²	190	152.3 Å²	152.3	88%	0.88	80%	0.797	S	S	*	*			trans	-72.8	130.2	177.9	-68.6	-92.6	0	0	0	111.5
1152	T	27.7	Very low	28.4	Very low	121 Å²	121	150.1 Å²	150.1	74%	0.742	79%	0.79	S	S	*	*			trans	-142.7	111.7	154.2	-25.9	0	0	0	0	109.8	I1154	T1152-I1154 PolarHBondContact O-N 3.03Å
1153	I	25	Very low	28.3	Very low	153 Å²	153	147.5 Å²	147.5	79%	0.785	79%	0.788	S	S	*	*			trans	-74.8	121.6	174.9	-62.8	170.4	0	0	0	108.3	I1155	I1153-I1155 HydrophobicContact CG2-CG1 4.17Å
1154	I	28.5	Very low	28	Very low	144 Å²	144	144.8 Å²	144.8	74%	0.738	78%	0.778	S	S	*	*			trans	-124.7	113.1	171.9	-59.9	-178.4	0	0	0	108.3	T1152 P1156	T1152-I1154 PolarHBondContact O-N 3.03Å; I1154-P1156 VanDerWaalsContact O-CD 3.28Å; I1154-P1156 WeakPolarHBondContact O-CD 3.49Å
1155	I	23.9	Very low	28.1	Very low	140 Å²	140	149.8 Å²	149.8	72%	0.718	79%	0.788	S	S	*	*			trans	-91.7	110.5	177.4	-59.1	169	0	0	0	109	I1153 K1157	I1153-I1155 HydrophobicContact CG2-CG1 4.17Å; I1155-K1157 PolarHBondContact O-N 2.59Å
1156	P	31.1	Very low	27.8	Very low	110 Å²	110	151.4 Å²	151.4	71%	0.714	79%	0.787	S	S	*	*			trans	-84.6	97.1	171.3	33	-30.2	0	0	0	109.7	I1154 K1158	I1154-P1156 VanDerWaalsContact O-CD 3.28Å; I1154-P1156 WeakPolarHBondContact O-CD 3.49Å; P1156-K1158 PolarHBondContact O-N 3.39Å; P1156-K1158 VanDerWaalsContact O-N 3.14Å
1157	K	23.4	Very low	27.3	Very low	196 Å²	196	151 Å²	151	85%	0.852	80%	0.8	S	S	*	*			trans	-56.9	119.6	163.7	-76.7	-176.2	174	-179.1	0	108.8	I1155	I1155-K1157 PolarHBondContact O-N 2.59Å
1158	K	28.6	Very low	27	Very low	203 Å²	203	147.6 Å²	147.6	88%	0.883	80%	0.8	S	S	*	*			trans	-132.2	138.2	168.9	-131.9	174.4	-174.3	178.4	0	111.9	P1156	P1156-K1158 PolarHBondContact O-N 3.39Å; P1156-K1158 VanDerWaalsContact O-N 3.14Å
1159	T	27.3	Very low	26.6	Very low	132 Å²	132	144.3 Å²	144.3	81%	0.81	80%	0.803	S	S	*	*			trans	-73.8	146.6	-167	-43.3	0	0	0	0	112	S1161	T1159-S1161 PolarHBondContact O-N 2.59Å
1160	I	24.2	Very low	26.4	Very low	160 Å²	160	139.9 Å²	139.9	82%	0.821	79%	0.794	S	S	*	*			trans	-55.7	120.2	172	-61.1	166.9	0	0	0	109.7	I1162	I1160-I1162 HydrophobicContact CG2-CG1 4.47Å
1161	S	25.1	Very low	26.1	Very low	105 Å²	105	139.6 Å²	139.6	73%	0.734	79%	0.792	S	S	*	*			trans	-123.4	109.8	171.4	58.8	0	0	0	0	109.6	T1159 P1163	T1159-S1161 PolarHBondContact O-N 2.59Å; S1161-P1163 WeakPolarHBondContact O-CD 2.99Å
1162	I	25.3	Very low	25.9	Very low	139 Å²	139	136.5 Å²	136.5	71%	0.713	79%	0.786	S	S	*	*			trans	-72	120.1	-175.9	-59.9	164.6	0	0	0	109.9	I1160 T1164	I1160-I1162 HydrophobicContact CG2-CG1 4.47Å; I1162-T1164 HydrophobicContact CG2-CG2 4.39Å; I1162-T1164 PolarHBondContact O-N 2.94Å; I1162-T1164 VanDerWaalsContact O-N 3.14Å
1163	P	26.3	Very low	25.7	Very low	108 Å²	108	135.4 Å²	135.4	70%	0.701	78%	0.775	S	S	*	*			trans	-79.2	95.4	174.2	31.5	-32.2	0	0	0	110.3	S1161 F1165	S1161-P1163 WeakPolarHBondContact O-CD 2.99Å; P1163-F1165 PolarHBondContact O-N 3.39Å; P1163-F1165 VanDerWaalsContact O-N 3.08Å
1164	T	24.9	Very low	25.7	Very low	116 Å²	116	133.2 Å²	133.2	71%	0.712	76%	0.762	S	S	*	*			trans	-74	97.9	173.5	53.4	0	0	0	0	110.8	I1162 K1166	I1162-T1164 HydrophobicContact CG2-CG2 4.39Å; I1162-T1164 PolarHBondContact O-N 2.94Å; I1162-T1164 VanDerWaalsContact O-N 3.14Å; T1164-K1166 PolarHBondContact O-N 2.85Å; T1164-K1166 VanDerWaalsContact O-N 3.09Å
1165	F	29	Very low	25.4	Very low	207 Å²	207	130.1 Å²	130.1	91%	0.908	74%	0.744	S	S	*	*			trans	-66.7	106.5	174.9	-108.9	-88.1	0	0	0	111.3	P1163	P1163-F1165 PolarHBondContact O-N 3.39Å; P1163-F1165 VanDerWaalsContact O-N 3.08Å
1166	K	25.9	Very low	25.5	Very low	194 Å²	194	127.3 Å²	127.3	84%	0.843	73%	0.725	S	S	*	*			trans	-89.2	116.8	171.4	-85.2	-175.7	175.2	176.3	0	110.6	T1164	T1164-K1166 PolarHBondContact O-N 2.85Å; T1164-K1166 VanDerWaalsContact O-N 3.09Å
1167	G	23.8	Very low	25.2	Very low	88 Å²	88	127.8 Å²	127.8	91%	0.907	72%	0.716	S	S	*	*			trans	17.6	98.3	159.8	0	0	0	0	0	118.9
1168	G	25.2	Very low	25.3	Very low	76 Å²	76	126.6 Å²	126.6	78%	0.784	71%	0.713	S	S	*	*			trans	-122.6	134	153.6	0	0	0	0	0	109	G1170	G1168-G1170 PolarHBondContact O-N 2.99Å
1169	S	23.6	Very low	25.2	Very low	136 Å²	136	122.5 Å²	122.5	95%	0.951	69%	0.692	S	S	*	*			trans	-79.1	96	175.4	53.4	0	0	0	0	109.9
1170	G	24.8	Very low	25.3	Very low	60 Å²	60	122 Å²	122	62%	0.619	68%	0.681	S	S	*	*			trans	-118.8	143.6	175.6	0	0	0	0	0	111.2	G1168 V1172	G1168-G1170 PolarHBondContact O-N 2.99Å; G1170-V1172 PolarHBondContact O-N 3.18Å
1171	N	25.2	Very low	25.5	Very low	154 Å²	154	116.8 Å²	116.8	82%	0.824	65%	0.654	S	S	*	*			trans	-70.5	117.8	177.9	-65.8	-24.2	0	0	0	109.7	L1173	N1171-L1173 VanDerWaalsContact C-N 3.3Å; N1171-L1173 PolarHBondContact O-N 2.84Å
1172	V	24.3	Very low	25.6	Very low	124 Å²	124	115.3 Å²	115.3	75%	0.752	64%	0.641	S	S	*	*			trans	-72.7	91.3	166.7	-178.8	0	0	0	0	107.4	G1170 H1174	G1170-V1172 PolarHBondContact O-N 3.18Å; V1172-H1174 PolarHBondContact O-N 3.23Å
1173	L	23.4	Very low	25.8	Very low	98 Å²	98	110.6 Å²	110.6	51%	0.513	62%	0.617	S	S	.	*			trans	-74.2	95.5	174.7	-166.7	67.8	0	0	0	107.7	N1171 Q1175	N1171-L1173 VanDerWaalsContact C-N 3.3Å; N1171-L1173 PolarHBondContact O-N 2.84Å; L1173-Q1175 PolarHBondContact O-N 3.07Å
1174	H	25.8	Very low	25.8	Very low	108 Å²	108	106.8 Å²	106.8	50%	0.5	59%	0.593	S	S	.	*			trans	-57	98.2	174.5	-99.7	-114.8	0	0	0	109.7	V1172 Y1176	V1172-H1174 PolarHBondContact O-N 3.23Å; H1174-Y1176 PolarHBondContact O-N 2.95Å
1175	Q	22.9	Very low	25.9	Very low	79 Å²	79	102.8 Å²	102.8	37%	0.369	57%	0.569	S	S	.	*			trans	-78.8	103.8	159.1	-149	165.9	45.2	0	0	106.3	P1090 C1092 L1173 F1177	P1090-Q1175 PolarHBondContact O-NE2 3.45Å; P1090-Q1175 VanDerWaalsContact O-NE2 3.11Å; C1092-Q1175 HydrophobicContact CB-CB 3.79Å; C1092-Q1175 HydrophobicContact CB-CG 4.23Å; C1092-Q1175 PolarHBondContact SG-NE2 2.86Å; C1092-Q1175 VanDerWaalsContact SG-NE2 3.43Å; L1173-Q1175 PolarHBondContact O-N 3.07Å; Q1175-F1177 PolarHBondContact O-N 3.23Å
1176	Y	26.1	Very low	25.8	Very low	81 Å²	81	95.4 Å²	95.4	32%	0.318	54%	0.539	S	S	.	.			trans	-54.4	129.3	161.6	-80.5	-91.9	0	0	0	107.2	H1174 H1178	H1174-Y1176 PolarHBondContact O-N 2.95Å; Y1176-H1178 PolarHBondContact O-N 2.98Å
1177	F	24.5	Very low	26	Very low	120 Å²	120	89.4 Å²	89.4	53%	0.526	52%	0.515	S	S	.	.			trans	-60.4	109.5	168.5	-82.6	-95.4	0	0	0	107	T805 Q1175 R1179	T805-F1177 HydrophobicContact CG2-CE2 4.31Å; T805-F1177 HydrophobicContact CG2-CZ 4.31Å; Q1175-F1177 PolarHBondContact O-N 3.23Å; F1177-R1179 PolarHBondContact O-N 3.21Å
1178	H	25.7	Very low	26.3	Very low	171 Å²	171	86.4 Å²	86.4	79%	0.792	48%	0.478	S	S	*	.			trans	-57.8	110.7	162.7	-91.3	-88.9	0	0	0	106.7	Y1176 H1180	Y1176-H1178 PolarHBondContact O-N 2.98Å; H1178-H1180 PolarHBondContact O-N 3.41Å
1179	R	25.7	Very low	26.4	Very low	116 Å²	116	87.4 Å²	87.4	44%	0.438	46%	0.462	S	S	.	.			trans	-60.3	119.4	161.3	-170.7	172.5	-173.1	172.7	2.8	105.3	F1177 D1181	F1177-R1179 PolarHBondContact O-N 3.21Å; R1179-D1181 VanDerWaalsContact C-N 3.32Å; R1179-D1181 VanDerWaalsContact CD-OD1 3.22Å; R1179-D1181 WeakPolarHBondContact CD-OD1 3.37Å; R1179-D1181 WeakPolarHBondContact CG-OD1 3.18Å; R1179-D1181 IonicContact NE-OD1 2.69Å; R1179-D1181 PolarHBondContact O-N 3.02Å
1180	H	28.9	Very low	26.5	Very low	123 Å²	123	82.1 Å²	82.1	57%	0.569	43%	0.427	S	S	*	.			trans	-64.2	103.7	162.3	-85.5	-85.7	0	0	0	105.9	H1178 T1182	H1178-H1180 PolarHBondContact O-N 3.41Å; H1180-T1182 PolarHBondContact O-N 3.1Å; H1180-T1182 PolarHBondContact O-OG1 2.89Å
1181	D	28.3	Very low	26.7	Very low	49 Å²	49	84 Å²	84	26%	0.262	42%	0.42	S	S	.	.			trans	-80.7	53.2	-164.4	-127	35.1	0	0	0	111.9	R1179 D1183 S1184	R1179-D1181 VanDerWaalsContact C-N 3.32Å; R1179-D1181 VanDerWaalsContact CD-OD1 3.22Å; R1179-D1181 WeakPolarHBondContact CD-OD1 3.37Å; R1179-D1181 WeakPolarHBondContact CG-OD1 3.18Å; R1179-D1181 IonicContact NE-OD1 2.69Å; R1179-D1181 PolarHBondContact O-N 3.02Å; D1181-D1183 PolarHBondContact O-N 2.97Å; D1181-S1184 WeakPolarHBondContact OD2-CB 3.47Å; D1181-S1184 PolarHBondContact OD2-OG 3.45Å
1182	T	28.7	Very low	26.9	Very low	74 Å²	74	78.6 Å²	78.6	45%	0.454	39%	0.39	S	S	.	.	S	Bend	trans	-73.6	12.5	177	55.1	0	0	0	0	113.5	R124 H1180	R124-T1182 PolarHBondContact NH2-O 3.28Å; H1180-T1182 PolarHBondContact O-N 3.1Å; H1180-T1182 PolarHBondContact O-OG1 2.89Å
1183	D	29.1	Very low	27.1	Very low	41 Å²	41	75.6 Å²	75.6	22%	0.219	37%	0.369	C	S	.	.	S	Bend	trans	-139.5	-13	-178.7	-102.7	-55.5	0	0	0	115.6	R124 R129 P811 D1181	R124-D1183 IonicContact CZ-OD2 3.12Å; R124-D1183 IonicContact NH1-OD2 2.68Å; R124-D1183 VanDerWaalsContact NH2-CG 3.31Å; R124-D1183 IonicContact NH2-OD1 2.71Å; R124-D1183 IonicContact NH2-OD2 3.34Å; R124-D1183 PolarHBondContact NH2-OD2 3.41Å; R129-D1183 IonicContact CZ-OD1 2.7Å; R129-D1183 IonicContact NE-OD1 3.67Å; R129-D1183 PolarHBondContact NH1-O 2.79Å; R129-D1183 IonicContact NH1-OD1 3.35Å; R129-D1183 PolarHBondContact NH1-OD1 2.77Å; P811-D1183 WeakPolarHBondContact CB-OD1 3.45Å; D1181-D1183 PolarHBondContact O-N 2.97Å
1184	S	26.7	Very low	27.1	Very low	28 Å²	28	75.9 Å²	75.9	20%	0.196	38%	0.376	C	S	.	.	S	Bend	trans	-72.4	166.5	167.6	65.8	0	0	0	0	110.6	R129 D1181	R129-S1184 PolarHBondContact NH2-O 3Å; D1181-S1184 WeakPolarHBondContact OD2-CB 3.47Å; D1181-S1184 PolarHBondContact OD2-OG 3.45Å
1185	T	27.2	Very low	27.1	Very low	32 Å²	32	74.3 Å²	74.3	20%	0.196	38%	0.378	C	S	.	.			trans	-110.6	28.7	-163.8	45.9	0	0	0	0	114.1	A399 S575 L1187	A399-T1185 HydrophobicContact CB-CG2 4.34Å; A399-T1185 WeakPolarHBondContact CB-OG1 3.35Å; S575-T1185 PolarHBondContact O-OG1 2.99Å; T1185-L1187 PolarHBondContact O-N 3.1Å
1186	N	27.1	Very low	27.2	Very low	52 Å²	52	76.9 Å²	76.9	28%	0.278	40%	0.399	S	S	.	.			trans	-74.4	107.8	166	-70.3	-17.9	0	0	0	108.3	L1188 E1189	N1186-L1188 PolarHBondContact O-N 2.77Å; N1186-E1189 HydrophobicContact CB-CB 4.42Å
1187	L	28.9	Very low	27.2	Very low	67 Å²	67	76.1 Å²	76.1	35%	0.351	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-22.1	-174.2	-90.8	157.4	0	0	0	112.3	V271 R397 T1185	V271-L1187 HydrophobicContact CB-CD2 3.85Å; V271-L1187 HydrophobicContact CG1-CD2 3.99Å; V271-L1187 HydrophobicContact CG2-CD2 3.82Å; R397-L1187 VanDerWaalsContact NH1-CD1 3.32Å; T1185-L1187 PolarHBondContact O-N 3.1Å
1188	L	29.5	Very low	27.2	Very low	25 Å²	25	74.5 Å²	74.5	13%	0.131	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	77.4	163.8	-70.7	171.7	0	0	0	112.3	R269 E346 V347 N1186 A1190	R269-L1188 HydrophobicContact CB-CD2 4.29Å; R269-L1188 HydrophobicContact CG-CD2 4.16Å; E346-L1188 WeakPolarHBondContact OE2-CB 3.46Å; E346-L1188 PolarHBondContact OE2-N 3.44Å; V347-L1188 HydrophobicContact CB-CD1 3.66Å; V347-L1188 HydrophobicContact CG2-CD1 3.58Å; N1186-L1188 PolarHBondContact O-N 2.77Å; L1188-A1190 PolarHBondContact O-N 3.45Å
1189	E	28.1	Very low	27.2	Very low	97 Å²	97	73.9 Å²	73.9	45%	0.453	41%	0.411	S	S	.	.			trans	-69.4	68.7	154.2	-172.2	170.1	-100.4	0	0	109	R269 N1186 E1191	R269-E1189 PolarHBondContact NH1-O 2.93Å; R269-E1189 PolarHBondContact NH2-O 3.44Å; N1186-E1189 HydrophobicContact CB-CB 4.42Å; E1189-E1191 PolarHBondContact O-N 2.96Å
1190	A	26.1	Very low	27.2	Very low	26 Å²	26	75.2 Å²	75.2	22%	0.215	43%	0.426	C	S	.	.			trans	-52.9	124	-177.2	0	0	0	0	0	108.8	L1188 E1192	L1188-A1190 PolarHBondContact O-N 3.45Å; A1190-E1192 PolarHBondContact O-N 2.95Å
1191	E	29.7	Very low	27	Very low	99 Å²	99	75.1 Å²	75.1	46%	0.463	44%	0.439	S	S	.	.			trans	-68.8	96.3	-170.8	-171.7	162.1	-153.1	0	0	108.3	R173 E1189 I1193	R173-E1191 IonicContact CZ-OE2 2.7Å; R173-E1191 IonicContact NH2-OE2 3.71Å; R173-E1191 PolarHBondContact NH2-OE2 3.22Å; E1189-E1191 PolarHBondContact O-N 2.96Å; E1191-I1193 PolarHBondContact O-N 3.28Å
1192	E	29	Very low	26.9	Very low	40 Å²	40	79 Å²	79	19%	0.187	46%	0.459	C	S	.	.			trans	-71.5	82.3	-174.8	-75.4	-136.9	113	0	0	110.3	R264 S343 Y386 P391 A1190 P1194	R264-E1192 IonicContact CZ-OE1 2.98Å; R264-E1192 IonicContact NH1-OE1 3.48Å; R264-E1192 PolarHBondContact NH1-OE1 3.1Å; R264-E1192 VanDerWaalsContact NH2-C 3.32Å; R264-E1192 VanDerWaalsContact NH2-CA 3.33Å; R264-E1192 IonicContact NH2-OE1 3.2Å; S343-E1192 PolarHBondContact OG-OE1 2.8Å; Y386-E1192 PolarHBondContact OH-OE1 2.99Å; Y386-E1192 VanDerWaalsContact OH-OE1 3.07Å; Y386-E1192 PolarHBondContact OH-OE2 2.93Å; P391-E1192 WeakPolarHBondContact CA-OE2 3.1Å; P391-E1192 HydrophobicContact CB-CB 3.86Å; P391-E1192 WeakPolarHBondContact CB-OE2 3.39Å; A1190-E1192 PolarHBondContact O-N 2.95Å; E1192-P1194 VanDerWaalsContact O-CD 3.24Å; E1192-P1194 WeakPolarHBondContact O-CD 3.17Å
1193	I	28	Very low	26.9	Very low	61 Å²	61	80.8 Å²	80.8	31%	0.313	48%	0.475	S	S	.	.			trans	-42.5	115.3	175.6	-60.1	164.9	0	0	0	108.8	R264 E1191 S1195	R264-I1193 PolarHBondContact NH2-O 3.04Å; R264-I1193 VanDerWaalsContact NH2-O 3.11Å; E1191-I1193 PolarHBondContact O-N 3.28Å; I1193-S1195 PolarHBondContact O-N 2.96Å; I1193-S1195 VanDerWaalsContact O-N 3.09Å
1194	P	22.9	Very low	26.8	Very low	104 Å²	104	84 Å²	84	68%	0.675	50%	0.501	S	S	*	.			trans	-78.4	90.9	170.3	-3.7	21.3	0	0	0	107.5	E1192 T1196	E1192-P1194 VanDerWaalsContact O-CD 3.24Å; E1192-P1194 WeakPolarHBondContact O-CD 3.17Å; P1194-T1196 PolarHBondContact O-N 3.05Å
1195	S	26.1	Very low	26.9	Very low	76 Å²	76	91.8 Å²	91.8	53%	0.531	54%	0.536	S	S	.	.			trans	-59.5	111.8	171.5	52	0	0	0	0	109.3	I1193 S1197	I1193-S1195 PolarHBondContact O-N 2.96Å; I1193-S1195 VanDerWaalsContact O-N 3.09Å; S1195-S1197 PolarHBondContact O-N 3.45Å
1196	T	24.6	Very low	27	Very low	132 Å²	132	97.3 Å²	97.3	81%	0.81	56%	0.564	S	S	*	*	S	Bend	trans	-75.8	40.9	-178.8	44.5	0	0	0	0	112.9	P1194	P1194-T1196 PolarHBondContact O-N 3.05Å
1197	S	26	Very low	27	Very low	66 Å²	66	101 Å²	101	46%	0.462	59%	0.589	S	S	.	*			trans	-155.6	47.8	-178.9	61.2	0	0	0	0	113.3	E241 S1195	E241-S1197 PolarHBondContact OE1-OG 2.99Å; S1195-S1197 PolarHBondContact O-N 3.45Å
1198	S	26.1	Very low	27	Very low	85 Å²	85	104 Å²	104	59%	0.594	61%	0.61	S	S	*	*			trans	-107.6	41.6	169.4	80.7	0	0	0	0	112.9
1199	L	24.5	Very low	26.8	Very low	159 Å²	159	108.8 Å²	108.8	83%	0.832	64%	0.64	S	S	*	*			trans	-129.5	87.7	171.2	-75	178.5	0	0	0	109.4
1200	L	26.7	Very low	26.9	Very low	143 Å²	143	112 Å²	112	75%	0.749	66%	0.661	S	S	*	*			trans	174.1	102.7	146	-97.1	163	0	0	0	110.2	L1202	L1200-L1202 HydrophobicContact CB-CD1 4.18Å; L1200-L1202 HydrophobicContact CB-CG 4.17Å; L1200-L1202 HydrophobicContact CD1-CD1 4.2Å; L1200-L1202 HydrophobicContact CD2-CG 4.26Å; L1200-L1202 PolarHBondContact O-N 3.44Å
1201	S	24.8	Very low	26.9	Very low	121 Å²	121	118.9 Å²	118.9	85%	0.846	69%	0.693	S	S	*	*			trans	-72.7	79	163.6	40.1	0	0	0	0	109.7	S1203	S1201-S1203 VanDerWaalsContact C-N 3.28Å; S1201-S1203 PolarHBondContact O-N 2.61Å
1202	L	26.2	Very low	27	Very low	132 Å²	132	119.9 Å²	119.9	69%	0.691	71%	0.711	S	S	*	*			trans	-76.9	72.6	-171.1	-107.9	166.5	0	0	0	113	L1200 S1204	L1200-L1202 HydrophobicContact CB-CD1 4.18Å; L1200-L1202 HydrophobicContact CB-CG 4.17Å; L1200-L1202 HydrophobicContact CD1-CD1 4.2Å; L1200-L1202 HydrophobicContact CD2-CG 4.26Å; L1200-L1202 PolarHBondContact O-N 3.44Å; L1202-S1204 PolarHBondContact O-N 3Å
1203	S	28.4	Very low	26.9	Very low	111 Å²	111	123 Å²	123	78%	0.776	74%	0.738	S	S	*	*			trans	-57.2	133.1	153.2	56.8	0	0	0	0	109.5	S1201	S1201-S1203 VanDerWaalsContact C-N 3.28Å; S1201-S1203 PolarHBondContact O-N 2.61Å
1204	S	26.9	Very low	27	Very low	109 Å²	109	127.9 Å²	127.9	76%	0.762	76%	0.764	S	S	*	*			trans	-61.1	134.4	-162.7	57.6	0	0	0	0	115.4	L1202	L1202-S1204 PolarHBondContact O-N 3Å
1205	M	28.9	Very low	27.2	Very low	190 Å²	190	127.8 Å²	127.8	94%	0.936	77%	0.767	S	S	*	*			trans	-163.2	141.3	131.2	-110.3	174.9	-169.4	0	0	112.7
1206	N	28.1	Very low	27.3	Very low	149 Å²	149	129.7 Å²	129.7	80%	0.797	78%	0.779	S	S	*	*			trans	-103.6	133.9	-173.8	-107.1	-29.9	0	0	0	112.1
1207	T	26.5	Very low	27.4	Very low	129 Å²	129	131.1 Å²	131.1	79%	0.791	78%	0.781	S	S	*	*			trans	61.6	147.9	157	65.4	0	0	0	0	116.6
1208	V	30	Very low	27.5	Very low	130 Å²	130	133.5 Å²	133.5	79%	0.788	80%	0.795	S	S	*	*			cis	-147.8	151.9	38.5	165.4	0	0	0	0	110.3
1209	T	25.4	Very low	27.6	Very low	125 Å²	125	140.7 Å²	140.7	77%	0.767	81%	0.809	S	S	*	*			trans	-73.4	138.7	175.8	51.2	0	0	0	0	114
1210	N	29.5	Very low	27.8	Very low	166 Å²	166	142.1 Å²	142.1	89%	0.888	81%	0.811	S	S	*	*			trans	-157	143.8	148.7	-119.3	-29.1	0	0	0	112.6
1211	N	26.6	Very low	27.9	Very low	169 Å²	169	140.1 Å²	140.1	90%	0.904	81%	0.81	S	S	*	*			trans	-93.9	124.3	-174.6	-78.9	-27.7	0	0	0	112.7
1212	S	32.2	Very low	28	Very low	120 Å²	120	144.9 Å²	144.9	84%	0.839	82%	0.815	S	S	*	*			trans	-159.1	129	151.8	61.5	0	0	0	0	111.7
1213	S	27	Very low	28.1	Very low	107 Å²	107	141.9 Å²	141.9	75%	0.748	82%	0.817	S	S	*	*			trans	-74.7	136.8	179.9	53	0	0	0	0	113.5
1214	N	30.6	Very low	28.2	Very low	162 Å²	162	143.4 Å²	143.4	87%	0.866	82%	0.816	S	S	*	*				-171.3	164	124	-95.8	-32.7	0	0	0	113.1
1215	S	27	Very low	28.3	Very low	103 Å²	103	143.6 Å²	143.6	72%	0.72	82%	0.815	S	S	*	*			trans	-80.6	148.7	-168.7	56.5	0	0	0	0	115.7
1216	C	26.8	Very low	28.3	Very low	116 Å²	116	141.9 Å²	141.9	78%	0.784	81%	0.809	S	S	*	*				-179.7	111.4	115	-100.9	0	0	0	0	115.5
1217	N	27.9	Very low	28.3	Very low	162 Å²	162	140.4 Å²	140.4	87%	0.866	81%	0.805	S	S	*	*			trans	49.7	145.3	152	-81.4	-15.5	0	0	0	123.7
1218	P	28.3	Very low	28.3	Very low	115 Å²	115	137.8 Å²	137.8	75%	0.747	79%	0.792	S	S	*	*			trans	-95.5	159.6	-174.7	38.9	-37	0	0	0	114.9
1219	R	26.7	Very low	28.4	Very low	236 Å²	236	138.3 Å²	138.3	89%	0.891	78%	0.784	S	S	*	*			trans	-150.2	162.2	159.7	-83.7	-166.9	169.1	-173.7	-4.5	110.1
1220	Q	30	Very low	28.6	Very low	189 Å²	189	137 Å²	137	88%	0.883	79%	0.786	S	S	*	*			trans	69.9	150.3	178.4	-61.3	173.3	-20.4	0	0	115.3
1221	S	28.4	Very low	28.7	Very low	102 Å²	102	139 Å²	139	71%	0.713	78%	0.782	S	S	*	*			cis	-170.4	121.9	-47	40.6	0	0	0	0	108.3
1222	F	26.5	Very low	28.8	Very low	220 Å²	220	140 Å²	140	97%	0.965	78%	0.779	S	S	*	*			trans	-108.7	132.5	163.2	-83.8	-89.2	0	0	0	108.4
1223	G	28.9	Very low	28.7	Very low	70 Å²	70	140.8 Å²	140.8	72%	0.722	77%	0.774	S	S	*	*			trans	-116.6	140.8	177	0	0	0	0	0	110.5
1224	D	29.4	Very low	28.9	Very low	142 Å²	142	140.7 Å²	140.7	76%	0.759	77%	0.773	S	S	*	*			trans	-68	134.7	173.9	-64.6	-68.1	0	0	0	111.1
1225	P	28.9	Very low	28.7	Very low	114 Å²	114	140.2 Å²	140.2	74%	0.74	77%	0.77	S	S	*	*	S	Bend	trans	-75.9	146.6	152.9	32.6	-30.5	0	0	0	109.6
1226	L	30.7	Very low	28.9	Very low	154 Å²	154	141.7 Å²	141.7	81%	0.806	78%	0.775	S	S	*	*			trans	77.4	49.4	174.9	-48.6	178.9	0	0	0	117.9
1227	T	27.3	Very low	28.8	Very low	117 Å²	117	145.1 Å²	145.1	72%	0.718	78%	0.776	S	S	*	*			trans	-117.9	99.6	145.7	58.2	0	0	0	0	110.4
1228	S	26.9	Very low	28.8	Very low	75 Å²	75	145.1 Å²	145.1	52%	0.524	78%	0.775	S	S	.	*			trans	-159	160.9	154.5	66.7	0	0	0	0	112.9	Q1298	S1228-Q1298 WeakPolarHBondContact CA-OXT 3.42Å; S1228-Q1298 WeakPolarHBondContact CB-O 3.3Å
1229	F	30.7	Very low	28.7	Very low	140 Å²	140	143.6 Å²	143.6	61%	0.614	77%	0.768	S	S	*	*			trans	68.4	75.6	171.6	-68.5	-74	0	0	0	118.7	Q1298	F1229-Q1298 PolarHBondContact N-OXT 2.87Å
1230	A	30.7	Very low	28.8	Very low	98 Å²	98	140.5 Å²	140.5	81%	0.81	77%	0.769	S	S	*	*			trans	-101.9	94.5	150.6	0	0	0	0	0	110.6	K1232	A1230-K1232 PolarHBondContact O-N 3.2Å
1231	Y	30.7	Very low	28.7	Very low	207 Å²	207	135.1 Å²	135.1	81%	0.812	76%	0.764	S	S	*	*			trans	-72.1	123.2	179.6	-153.4	-87.9	0	0	0	111
1232	K	29.2	Very low	28.8	Very low	190 Å²	190	136.1 Å²	136.1	83%	0.826	77%	0.771	S	S	*	*			trans	-124.5	121.9	-169.9	-166.8	178.7	-171.8	177.1	0	111.9	A1230	A1230-K1232 PolarHBondContact O-N 3.2Å
1233	N	29.4	Very low	28.9	Very low	138 Å²	138	131.6 Å²	131.6	74%	0.738	76%	0.761	S	S	*	*			trans	-133	97.1	-174.4	-144.6	0.8	0	0	0	112.3
1234	S	32.6	Very low	28.9	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	77%	0.772	S	S	*	*			trans	-164.1	119.4	159.4	64.2	0	0	0	0	110.4
1235	L	25.9	Very low	28.8	Very low	152 Å²	152	138.9 Å²	138.9	80%	0.796	77%	0.769	S	S	*	*			trans	-76	144.8	177.9	-62.6	79.1	0	0	0	111.4
1236	T	30.5	Very low	28.8	Very low	135 Å²	135	144.7 Å²	144.7	83%	0.828	78%	0.778	S	S	*	*				-166.2	111.3	122.5	12.3	0	0	0	0	114
1237	K	25.4	Very low	28.8	Very low	187 Å²	187	143.6 Å²	143.6	81%	0.813	77%	0.773	S	S	*	*			trans	45.3	137.5	136.6	-73.5	-175	175.9	178.8	0	122.7
1238	L	28.1	Very low	29	Very low	162 Å²	162	146.6 Å²	146.6	85%	0.848	78%	0.776	S	S	*	*			trans	80.9	139.5	156.9	-58.1	145	0	0	0	117.7
1239	S	26.6	Very low	29.2	Very low	84 Å²	84	149.4 Å²	149.4	59%	0.587	79%	0.785	S	S	*	*			cis	-172.6	135.6	-27.7	47.5	0	0	0	0	111.3
1240	N	28.2	Very low	29.3	Very low	171 Å²	171	150.6 Å²	150.6	91%	0.914	80%	0.798	S	S	*	*			trans	61.8	149.9	161.5	-58	-12.1	0	0	0	118.2
1241	G	28.7	Very low	29.3	Very low	75 Å²	75	155 Å²	155	77%	0.773	80%	0.801	S	S	*	*			trans	-169.3	-38.7	178.9	0	0	0	0	0	118
1242	S	30.4	Very low	29.2	Very low	124 Å²	124	151.5 Å²	151.5	87%	0.867	81%	0.806	S	S	*	*			trans	73.2	155.1	178.6	-154.4	0	0	0	0	117.6
1243	T	28	Very low	29.2	Very low	124 Å²	124	149.3 Å²	149.3	76%	0.761	80%	0.803	S	S	*	*			trans	-109.2	164.8	-171.9	49.3	0	0	0	0	112.9
1244	R	28.3	Very low	29.2	Very low	250 Å²	250	148.9 Å²	148.9	94%	0.943	81%	0.806	S	S	*	*			trans	-153.5	156.5	141.6	-118.2	175	-171.4	-167.9	1.9	113
1245	V	27.2	Very low	29	Very low	116 Å²	116	149.7 Å²	149.7	70%	0.703	81%	0.811	S	S	*	*			trans	-130.1	148.8	-168.7	173	0	0	0	0	109.1
1246	Y	29	Very low	29.2	Very low	235 Å²	235	147.6 Å²	147.6	92%	0.922	81%	0.81	S	S	*	*			trans	-149.5	168.4	146.5	-112.1	-76.2	0	0	0	111.4
1247	N	30.3	Very low	29.3	Very low	131 Å²	131	148.2 Å²	148.2	70%	0.701	81%	0.813	S	S	*	*			trans	-156.5	167.3	-150.1	-171	12.1	0	0	0	112.8
1248	K	32.4	Very low	29.4	Very low	180 Å²	180	144.5 Å²	144.5	78%	0.783	81%	0.806	S	S	*	*			trans	112.9	110.1	159.5	-66.7	-173.4	170.6	-173.6	0	120.2
1249	N	31.2	Very low	29.5	Very low	134 Å²	134	143.5 Å²	143.5	72%	0.717	80%	0.802	S	S	*	*				38.3	139.1	117.6	-53.3	27.1	0	0	0	122.4
1250	N	33.4	Very low	29.6	Very low	165 Å²	165	144.5 Å²	144.5	88%	0.882	81%	0.809	S	S	*	*				-171.5	157.8	109.9	-94.8	-4.3	0	0	0	113.2
1251	E	29.5	Very low	29.7	Very low	190 Å²	190	142.1 Å²	142.1	89%	0.888	80%	0.8	S	S	*	*			trans	-118.6	163.4	176.4	-58.1	171.4	114.6	0	0	111
1252	C	30	Very low	29.7	Very low	134 Å²	134	147.4 Å²	147.4	91%	0.905	80%	0.802	S	S	*	*			trans	-167.5	114.2	151.5	-112.6	0	0	0	0	116.3
1253	N	27.8	Very low	29.8	Very low	144 Å²	144	147.7 Å²	147.7	77%	0.77	79%	0.794	S	S	*	*			trans	-15	152.2	157.3	-76	-27.4	0	0	0	125
1254	T	29.6	Very low	30	Very low	130 Å²	130	147.9 Å²	147.9	80%	0.798	79%	0.79	S	S	*	*			trans	60.1	144.6	140.2	61.3	0	0	0	0	120.6
1255	S	29.4	Very low	30.3	Very low	120 Å²	120	141.5 Å²	141.5	84%	0.839	78%	0.775	S	S	*	*				-171.8	-172.3	54.6	46.4	0	0	0	0	113
1256	S	29.1	Very low	30.5	Very low	109 Å²	109	141.2 Å²	141.2	76%	0.762	77%	0.769	S	S	*	*			trans	-115.6	158.6	-164.3	53.4	0	0	0	0	116.1
1257	V	31.8	Very low	30.7	Very low	147 Å²	147	140.6 Å²	140.6	89%	0.891	77%	0.767	S	S	*	*			trans	-143.8	144.6	159.1	-178.4	0	0	0	0	110.1
1258	T	28.8	Very low	30.6	Very low	110 Å²	110	140.7 Å²	140.7	68%	0.675	77%	0.768	S	S	*	*			trans	-119.6	155.3	178.1	50.9	0	0	0	0	111.9
1259	N	29	Very low	30.6	Very low	141 Å²	141	140.5 Å²	140.5	75%	0.754	77%	0.769	S	S	*	*				163.1	148.1	124.3	-86	-24.7	0	0	0	115.7
1260	S	29.2	Very low	30.8	Very low	105 Å²	105	138.8 Å²	138.8	73%	0.734	77%	0.767	S	S	*	*			trans	68.5	144.8	141.8	69.1	0	0	0	0	120.2
1261	T	30.9	Very low	30.6	Very low	121 Å²	121	135.1 Å²	135.1	74%	0.742	76%	0.755	S	S	*	*			cis	-162.8	136.5	-10.8	11.7	0	0	0	0	112.6
1262	K	28.6	Very low	30.6	Very low	185 Å²	185	134.9 Å²	134.9	80%	0.804	75%	0.754	S	S	*	*			trans	54.6	156.4	133.5	-85.8	-171.6	174	-174.1	0	123.8
1263	N	33.4	Very low	30.7	Very low	131 Å²	131	136.3 Å²	136.3	70%	0.701	75%	0.751	S	S	*	*			trans	84.5	135.5	159.2	-67.2	4	0	0	0	118.4
1264	N	31.3	Very low	30.7	Very low	128 Å²	128	137.6 Å²	137.6	68%	0.684	75%	0.752	S	S	*	*			cis	-171.9	150.9	-25.2	-120.4	23.9	0	0	0	110.3
1265	N	33.7	Very low	30.5	Very low	116 Å²	116	141 Å²	141	62%	0.62	76%	0.759	S	S	*	*			trans	63.4	153.5	152.3	-63	45	0	0	0	118.7
1266	D	31.2	Very low	30.5	Very low	109 Å²	109	139.2 Å²	139.2	58%	0.583	75%	0.751	S	S	*	*			cis	-160.8	143.4	-20.5	-92.7	-24.7	0	0	0	107.9
1267	Y	33.5	Very low	30.6	Very low	222 Å²	222	141.4 Å²	141.4	87%	0.871	75%	0.751	S	S	*	*				171.6	156.9	114.9	-104	-83.6	0	0	0	111.5
1268	N	29.2	Very low	30.5	Very low	134 Å²	134	142.2 Å²	142.2	72%	0.717	75%	0.749	S	S	*	*			trans	-120.7	171.9	-155.2	-89.1	-39.5	0	0	0	115.9
1269	H	32.8	Very low	30.5	Very low	176 Å²	176	146 Å²	146	82%	0.815	76%	0.76	S	S	*	*			trans	78.9	139.8	170	-62	-74.7	0	0	0	116.7
1270	S	33.9	Very low	30.5	Very low	97 Å²	97	147.4 Å²	147.4	68%	0.678	76%	0.759	S	S	*	*			cis	-139.4	126.3	3.5	48.7	0	0	0	0	109.7
1271	S	29.6	Very low	30.6	Very low	89 Å²	89	151.6 Å²	151.6	62%	0.622	77%	0.767	S	S	*	*				43.1	128.1	92.6	65.9	0	0	0	0	114.1
1272	E	29.9	Very low	30.5	Very low	184 Å²	184	154.5 Å²	154.5	86%	0.86	77%	0.772	S	S	*	*			cis	-159.4	-167.8	18.2	-136.4	156	-135.4	0	0	112.6
1273	I	31.9	Very low	30.5	Very low	165 Å²	165	154.5 Å²	154.5	85%	0.846	78%	0.775	S	S	*	*			trans	75.1	77	-179.3	-43.5	177.1	0	0	0	115.5
1274	H	27.3	Very low	30.4	Very low	170 Å²	170	157.4 Å²	157.4	79%	0.787	78%	0.784	S	S	*	*			trans	-153.5	90.8	156.3	-161.5	85.2	0	0	0	111.5
1275	Q	27.1	Very low	30.3	Very low	203 Å²	203	159.5 Å²	159.5	95%	0.949	80%	0.795	S	S	*	*			trans	-155.6	51.2	-179.6	-134.5	168.9	22.7	0	0	115.1
1276	A	28.7	Very low	30.4	Very low	81 Å²	81	159.2 Å²	159.2	67%	0.669	80%	0.802	S	S	*	*	S	Bend	trans	-148.1	164.8	167.3	0	0	0	0	0	111.1
1277	M	30.9	Very low	30.5	Very low	155 Å²	155	158.7 Å²	158.7	76%	0.764	81%	0.805	S	S	*	*	S	Bend	trans	70.6	17.9	173.8	-60.2	-167.7	170.9	0	0	119.3
1278	L	29.6	Very low	30.4	Very low	165 Å²	165	158.7 Å²	158.7	86%	0.864	81%	0.81	S	S	*	*	S	Bend	trans	-120.4	41.8	165	-89.4	175.7	0	0	0	113.3
1279	Q	28.9	Very low	30.4	Very low	190 Å²	190	157.3 Å²	157.3	89%	0.888	81%	0.806	S	S	*	*	S	Bend	trans	-153	25.6	178.5	-130	171.7	19.6	0	0	118.3
1280	K	30	Very low	30.2	Very low	170 Å²	170	156 Å²	156	74%	0.739	81%	0.805	S	S	*	*			trans	-125	76.5	165.9	-80.9	-169.3	179.2	-179.9	0	111.4	E526	E526-K1280 IonicContact OE2-NZ 3.8Å; E526-K1280 PolarHBondContact OE2-NZ 3.44Å
1281	Q	29.9	Very low	30	Very low	192 Å²	192	158.8 Å²	158.8	90%	0.897	81%	0.807	S	S	*	*	S	Bend	trans	-141.5	14.2	174.9	-142.6	-178.5	24.4	0	0	114.1
1282	Q	28.7	Very low	30	Very low	183 Å²	183	163.7 Å²	163.7	86%	0.855	82%	0.82	S	S	*	*	S	Bend	trans	-139.7	153.7	172.5	-66.5	-173.3	-6.9	0	0	109.5
1283	Q	28.2	Very low	30.1	Very low	184 Å²	184	163.7 Å²	163.7	86%	0.86	82%	0.817	S	S	*	*			trans	71.7	80.8	-177.2	-53.4	-173.8	1.4	0	0	116.9
1284	H	32.6	Very low	30	Very low	192 Å²	192	161.2 Å²	161.2	89%	0.889	81%	0.806	S	S	*	*				-153.5	86.8	127.5	-121	-82.4	0	0	0	111
1285	N	28.7	Very low	30.2	Very low	172 Å²	172	160.4 Å²	160.4	92%	0.92	81%	0.805	S	S	*	*			trans	-96.7	116.7	171.7	-94.1	-16.1	0	0	0	109.4
1286	S	35.4	Very low	30.5	Very low	111 Å²	111	158.3 Å²	158.3	78%	0.776	80%	0.8	S	S	*	*			trans	-155.4	140.7	162.7	-165.5	0	0	0	0	109.4
1287	P	33.9	Very low	30.5	Very low	98 Å²	98	162.2 Å²	162.2	64%	0.636	81%	0.81	S	S	*	*			trans	-107.4	144.6	-157.4	37.6	-31.6	0	0	0	115
1288	F	31.6	Very low	30.4	Very low	221 Å²	221	161.9 Å²	161.9	97%	0.969	81%	0.806	S	S	*	*			trans	-129	111.5	145	-105.3	-83.5	0	0	0	110.1
1289	T	28.6	Very low	30.4	Very low	106 Å²	106	161.8 Å²	161.8	65%	0.65	80%	0.803	S	S	*	*			trans	-88.2	165.8	179.9	46.5	0	0	0	0	111.5
1290	N	28.7	Very low	30.5	Very low	148 Å²	148	160.3 Å²	160.3	79%	0.791	80%	0.799	S	S	*	*			trans	76.8	71.3	165.7	-49.5	-27.2	0	0	0	117.8
1291	H	30.9	Very low	30.6	Very low	155 Å²	155	159.7 Å²	159.7	72%	0.718	80%	0.802	S	S	*	*				-149.4	4.8	125.8	-124	-57.2	0	0	0	116.7	K1293 D1294	H1291-K1293 VanDerWaalsContact C-N 3.32Å; H1291-K1293 PolarHBondContact O-N 3.16Å; H1291-D1294 IonicContact CE1-OD2 3.94Å
1292	H	29.3	Very low	30.6	Very low	192 Å²	192	157.8 Å²	157.8	89%	0.889	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	80.7	172.1	-110.1	-58.1	0	0	0	111.8
1293	K	30.8	Very low	30.7	Very low	185 Å²	185	156.3 Å²	156.3	80%	0.804	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155.7	-22.5	159.7	-135.1	169.8	-176.2	174.7	0	117.6	H1291	H1291-K1293 VanDerWaalsContact C-N 3.32Å; H1291-K1293 PolarHBondContact O-N 3.16Å
1294	D	30.6	Very low	30.9	Very low	113 Å²	113	154.4 Å²	154.4	60%	0.604	79%	0.789	S	S	*	*	S	Bend	trans	-104.8	10.7	-171.5	-53.2	-51.4	0	0	0	114.5	H1291	H1291-D1294 IonicContact CE1-OD2 3.94Å
1295	I	31.7	Very low	30.8	Very low	152 Å²	152	151.7 Å²	151.7	78%	0.779	78%	0.781	S	S	*	*	S	Bend	trans	-123.9	51.8	179.8	-41.1	179.9	0	0	0	110.2
1296	L	32.1	Very low	30.9	Very low	159 Å²	159	150.2 Å²	150.2	83%	0.832	77%	0.771	S	S	*	*	S	Bend	trans	-148.4	14.2	173.7	-110.9	166.3	0	0	0	111.7
1297	D	29.7	Very low	30.5	Very low	164 Å²	164	153.4 Å²	153.4	88%	0.877	77%	0.77	S	S	*	*			trans	-153.1	24.2	-168.7	-138.5	9	0	0	0	111.4
1298	Q	28.9	Very low	30.2	Very low	148 Å²	148	158.5 Å²	158.5	69%	0.692	78%	0.782	S	S	*	*			trans	-145	0	-177.5	-176.3	166.9	96.3	0	0	112.5	S1228 F1229	S1228-Q1298 WeakPolarHBondContact CA-OXT 3.42Å; S1228-Q1298 WeakPolarHBondContact CB-O 3.3Å; F1229-Q1298 PolarHBondContact N-OXT 2.87Å

Retrieved 1,298 of 1,298 residues in 667.7 ms (Link to these results)

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