A0A077ZB42_TRITR Loading...

Pkinase and Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZB42, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,107 aa.

						>A0A077ZB42_TRITR|A0A077ZB42
MVCTGPRPDPYPCGLPHFAPVYGPNRISGGWEVARHSFPWHVHIMVFDVNSQTKGGQCGGSLIRINPGNATDLVLTAAHCIVEFDPKYGKMMMKPIANIVVTVAVHMRNEPDRTRVRVRDLRDGGYAKEFGPRDIAVLRLEKKIPYTKFTRPVCLPPKDAKLPVGEECYVAGHGKLFMQSNLSPEELRMVRVSVWSKEDCIASVDPDRQKDMDFNTQICAGTGREGSQKGDSGGALVCKIKDRFIQFGIVSFGSEDLIALDKSSKYTYVPKYIEWIVSADQVMDPTHEIMPEEDVHEYLTIKERNQRNLNRSKSAGSLVGGRTATPPPVRKPEDYKCGTPAEHFPIKMSAKGFNRISGGWEANKHSLPWTVLISNSDLKNPAEGNLCGGALIQLKPGNRTDLVMTAAHCLHDKSNRKRPTQNCKVFVGIHHQFTDDAIAKEVKAKEFVIHSEYKAEANGGRRNDIALIKLEHAIPYTDITVPVCLPEPAEKLQAGHECIVAGWGQTSHYSPAYQSELSMAVVKIVPFDECKKETKFIVEGEVLCTKGENRGGFCHGDSGSPLVCREKNGSPWKAYGIVSFSSNKCSFTFDKYTNVSSYRKWVDEKGEKLPAPTSEFPYERLVEYLTPNEVMNGVKRHTLGAIQQTGNQASALPTRPPVTAPVRAFLFTNATNPPSYYGLFQALVPHKLVIKLQLSHRDLLQLHRVQAHWQPKEFLVQQYKGQEYTLDSDTEGNEKSICCKSFLLPHISAGEIEQWVTMPPGGGATAAQLLHKGQVVDDRWVVEKMLGKGGFGAVFEVTDKKTGRRDAMKIEINATDFRTLKVEVTVLKTLNENKARHVCEITGVGKKELFCFIVMTLVGPSINSLLESLQDQFSDGRTRFVLRSCIYVGQRSLEALEDLHANGFLHRDVKPHNYAAGRPPHYRKIYLLDFGMCRKYVKEDGSLRRPRERVGFRGTLFYASVDCLRGKEQARRDDVWSWFFMLIRMTVGQLPWRGWSPPRGCSVTKQALMFGEFKGRLIRNVRRFVEGCPAEYAEIAELLQDQNFYDAPPYNRIYSLLNSLMARKGYDEAYPLDWEDNGQHHQQTMAAPAHNMMPGGQGHGQSSLDND
					

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(Predicted Aligned Error values between residue pairs)

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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	37.9	Very low	54.7	Low	240 Å²	240	126.4 Å²	126.4	100%	1.182	72%	0.718	S	S	*	*				0	112.3	0	-66.6	168.8	-177.3	0	0	107.6
2	V	41.6	Very low	57.3	Low	137 Å²	137	118.3 Å²	118.3	83%	0.83	67%	0.674	S	S	*	*			trans	-105.4	118.1	171.7	179.3	0	0	0	0	106.4	T4	V2-T4 PolarHBondContact O-N 2.73Å
3	C	36.8	Very low	59.9	Low	124 Å²	124	110.6 Å²	110.6	84%	0.838	63%	0.632	S	S	*	*			trans	-65.9	107	-179.1	-63.4	0	0	0	0	109.6	G5	C3-G5 PolarHBondContact O-N 2.84Å
4	T	45.7	Very low	62.1	Low	139 Å²	139	102.7 Å²	102.7	85%	0.853	59%	0.587	S	S	*	*			trans	-73.1	70.7	168.6	51.9	0	0	0	0	109.4	V2	V2-T4 PolarHBondContact O-N 2.73Å
5	G	46.6	Very low	63.9	Low	52 Å²	52	99.3 Å²	99.3	54%	0.536	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-59.7	150.5	163	0	0	0	0	0	109.8	C3 R7	C3-G5 PolarHBondContact O-N 2.84Å; G5-R7 PolarHBondContact O-N 2.91Å
6	P	52.7	Low	65.2	Low	128 Å²	128	94.5 Å²	94.5	83%	0.831	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-55.2	136.9	175.8	21.7	-31	0	0	0	110
7	R	55.4	Low	65.9	Low	238 Å²	238	93.9 Å²	93.9	90%	0.898	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-53.9	135.8	177.7	-70	-174.6	-177.8	-173.2	1.7	108.8	G5 D9	G5-R7 PolarHBondContact O-N 2.91Å; R7-D9 PolarHBondContact O-N 3.11Å
8	P	63.3	Low	66.2	Low	120 Å²	120	93.1 Å²	93.1	78%	0.779	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-53.7	132.8	176.7	-25.3	33.9	0	0	0	110.7	P10	P8-P10 WeakPolarHBondContact O-CD 3.49Å
9	D	70.4	Confident	66.3	Low	49 Å²	49	91.7 Å²	91.7	26%	0.262	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-55.2	117.5	172.2	169.9	14.4	0	0	0	109.4	R7 Y11 P12 R64	R7-D9 PolarHBondContact O-N 3.11Å; D9-Y11 PolarHBondContact O-N 3.3Å; D9-Y11 PolarHBondContact OD1-N 3.32Å; D9-P12 WeakPolarHBondContact O-CD 3.32Å; D9-P12 WeakPolarHBondContact OD2-CA 3.13Å; D9-R64 IonicContact OD1-NH1 3.42Å; D9-R64 IonicContact OD2-CZ 3.94Å; D9-R64 IonicContact OD2-NH1 3.97Å; D9-R64 PolarHBondContact OD2-NH1 3.24Å; D9-R64 IonicContact OD2-NH2 3.5Å; D9-R64 PolarHBondContact OD2-NH2 2.91Å
10	P	73.5	Confident	66.2	Low	98 Å²	98	88.1 Å²	88.1	64%	0.636	50%	0.502	S	S	*	.	S	Bend	trans	-72.9	-16.9	-176.2	26.6	-31.2	0	0	0	113.2	P8 P12	P8-P10 WeakPolarHBondContact O-CD 3.49Å; P10-P12 WeakPolarHBondContact O-CD 3.35Å
11	Y	77.8	Confident	65.6	Low	65 Å²	65	86.2 Å²	86.2	26%	0.255	49%	0.492	S	S	.	.	S	Bend	trans	-126.6	63.6	-179.7	-61.9	-81.3	0	0	0	111	D9 C13 R64 Y146	D9-Y11 PolarHBondContact O-N 3.3Å; D9-Y11 PolarHBondContact OD1-N 3.32Å; Y11-C13 PolarHBondContact O-N 3.19Å; Y11-R64 PolarHBondContact O-NH1 3.47Å; Y11-Y146 HydrophobicContact CD2-CD2 4.46Å; Y11-Y146 WeakPolarHBondContact CE1-O 3.29Å; Y11-Y146 HydrophobicContact CG-CD2 4.13Å; Y11-Y146 HydrophobicContact CG-CG 4.34Å; Y11-Y146 VanDerWaalsContact CZ-O 3.31Å
12	P	85.6	Confident	66.3	Low	29 Å²	29	79.1 Å²	79.1	19%	0.188	45%	0.453	C	S	.	.			trans	-60.1	137.5	180	26.9	-35.1	0	0	0	111.5	D9 P10 L15	D9-P12 WeakPolarHBondContact O-CD 3.32Å; D9-P12 WeakPolarHBondContact OD2-CA 3.13Å; P10-P12 WeakPolarHBondContact O-CD 3.35Å; P12-L15 HydrophobicContact CB-CD1 4.05Å; P12-L15 HydrophobicContact CG-CD1 3.64Å
13	C	91.8	Very high	66.3	Low	19 Å²	19	73 Å²	73	13%	0.128	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	157.7	176.8	64.5	0	0	0	0	112.5	Y11 L15 P152 C154 R243	Y11-C13 PolarHBondContact O-N 3.19Å; C13-L15 PolarHBondContact O-N 2.68Å; C13-L15 VanDerWaalsContact O-N 3.14Å; C13-P152 WeakPolarHBondContact CA-O 3.14Å; C13-P152 HydrophobicContact CB-CG 4.21Å; C13-C154 HydrophobicContact CB-CB 4Å; C13-C154 WeakPolarHBondContact CB-SG 3.41Å; C13-C154 PolarHBondContact O-SG 3.29Å; C13-C154 WeakPolarHBondContact SG-CA 3.45Å; C13-C154 WeakPolarHBondContact SG-CB 3.32Å; C13-C154 CovalentContact SG-SG 2.05Å; C13-C154 PolarHBondContact SG-SG 3.14Å; C13-R243 PolarHBondContact O-NH1 3.16Å
14	G	90.8	Very high	66.3	Low	0 Å²	0	68.3 Å²	68.3	0%	0	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	12.1	171.1	0	0	0	0	0	114.7	P152 F244	G14-P152 PolarHBondContact N-O 2.96Å; G14-F244 VanDerWaalsContact CA-O 3.27Å; G14-F244 WeakPolarHBondContact CA-O 3.34Å; G14-F244 WeakPolarHBondContact O-CD2 3.37Å; G14-F244 PolarHBondContact O-N 3.23Å
15	L	88.5	Confident	65.8	Low	52 Å²	52	65.8 Å²	65.8	27%	0.272	37%	0.367	S	S	.	.			trans	-117.7	97	179	-80.1	170.1	0	0	0	110.1	P12 C13 R151 D242 R243	P12-L15 HydrophobicContact CB-CD1 4.05Å; P12-L15 HydrophobicContact CG-CD1 3.64Å; C13-L15 PolarHBondContact O-N 2.68Å; C13-L15 VanDerWaalsContact O-N 3.14Å; L15-R151 VanDerWaalsContact O-CD 3.24Å; L15-R151 WeakPolarHBondContact O-CD 3.48Å; L15-R151 PolarHBondContact O-NH1 3.08Å; L15-D242 WeakPolarHBondContact CD2-O 3.34Å; L15-R243 HydrophobicContact CG-CG 4.49Å
16	P	85.3	Confident	65.2	Low	22 Å²	22	68.1 Å²	68.1	14%	0.143	36%	0.36	C	S	.	.			trans	-71.4	149.9	176.6	33.8	-34.6	0	0	0	110	F18 S37 P39 W40 F244	P16-F18 WeakPolarHBondContact CB-O 3.36Å; P16-S37 VanDerWaalsContact CB-O 3.24Å; P16-S37 WeakPolarHBondContact CB-O 3.25Å; P16-P39 HydrophobicContact CB-CG 3.9Å; P16-W40 HydrophobicContact CB-CH2 4.08Å; P16-W40 HydrophobicContact CB-CZ3 4.09Å; P16-W40 HydrophobicContact CG-CH2 4.02Å; P16-W40 HydrophobicContact CG-CZ3 4.37Å; P16-F244 HydrophobicContact CG-CD2 4.37Å; P16-F244 HydrophobicContact CG-CE2 4.22Å
17	H	76.7	Confident	64.1	Low	85 Å²	85	63.4 Å²	63.4	39%	0.394	33%	0.327	S	S	.	.	S	Bend	trans	-71.8	-39.3	176.4	-173.8	15.1	0	0	0	111.4	K148	H17-K148 WeakPolarHBondContact CB-O 3.36Å; H17-K148 WeakPolarHBondContact CD2-CG 3.27Å; H17-K148 WeakPolarHBondContact NE2-CE 3.25Å
18	F	71.3	Confident	62.9	Low	79 Å²	79	54.8 Å²	54.8	35%	0.346	30%	0.303	S	S	.	.	S	Bend	trans	-98.2	127.9	175.1	-52	-84.5	0	0	0	108.2	P16 H36 S37 F149	P16-F18 WeakPolarHBondContact CB-O 3.36Å; F18-H36 HydrophobicContact CD2-CB 3.72Å; F18-H36 HydrophobicContact CE2-CB 3.91Å; F18-S37 WeakPolarHBondContact O-CA 3.29Å; F18-S37 WeakPolarHBondContact O-CB 3.46Å; F18-F149 AromaticContact CE2-CD1 3.85Å; F18-F149 HydrophobicContact CE2-CD1 3.85Å; F18-F149 AromaticContact CE2-CE1 3.73Å; F18-F149 HydrophobicContact CE2-CE1 3.73Å; F18-F149 HydrophobicContact CZ-CD1 4.5Å; F18-F149 AromaticContact CZ-CE1 3.92Å; F18-F149 HydrophobicContact CZ-CE1 3.92Å
19	A	68.7	Low	61.9	Low	67 Å²	67	49.2 Å²	49.2	55%	0.554	27%	0.268	S	S	*	.			trans	-62.5	143.3	175.4	0	0	0	0	0	110.3	V21 S37	A19-V21 PolarHBondContact O-N 3.04Å; A19-S37 WeakPolarHBondContact O-CB 3.48Å
20	P	64.1	Low	61	Low	19 Å²	19	47.8 Å²	47.8	12%	0.123	27%	0.265	C	S	.	.			trans	-56.8	104.6	166.6	-29.5	39.1	0	0	0	110.8	F38 M189 F244	P20-F38 HydrophobicContact CB-CE2 3.97Å; P20-F38 HydrophobicContact CG-CE2 3.94Å; P20-M189 HydrophobicContact CB-CE 4.45Å; P20-F244 HydrophobicContact CG-CE2 4.16Å; P20-F244 HydrophobicContact CG-CZ 3.79Å
21	V	54.2	Low	60.5	Low	48 Å²	48	44.5 Å²	44.5	29%	0.291	24%	0.24	S	C	.	.			trans	-82.2	126.4	175.7	-169.9	0	0	0	0	108.2	A19 G23 A34	A19-V21 PolarHBondContact O-N 3.04Å; V21-G23 PolarHBondContact O-N 3.06Å; V21-A34 HydrophobicContact CB-CB 3.88Å; V21-A34 HydrophobicContact CG2-CB 3.76Å
22	Y	51.3	Low	59.9	Low	91 Å²	91	44 Å²	44	36%	0.357	24%	0.24	S	C	.	.			trans	-67.4	113.5	172.9	-55.2	-77.9	0	0	0	109	W31 Y169 A512	Y22-W31 HydrophobicContact CD1-CH2 4.43Å; Y22-W31 AromaticContact CD1-CZ2 3.7Å; Y22-W31 HydrophobicContact CD1-CZ2 3.7Å; Y22-W31 HydrophobicContact CE1-CZ2 4.2Å; Y22-Y169 HydrophobicContact CE1-CE1 4.05Å; Y22-Y169 PolarHBondContact OH-OH 3.3Å; Y22-A512 WeakPolarHBondContact O-CB 3.24Å
23	G	42.4	Very low	59.1	Low	9 Å²	9	42.8 Å²	42.8	9%	0.093	23%	0.232	C	C	.	.			trans	-86.8	173.9	175.4	0	0	0	0	0	112.5	V21 N25 W31 P511	V21-G23 PolarHBondContact O-N 3.06Å; G23-N25 PolarHBondContact O-N 3.32Å; G23-W31 WeakPolarHBondContact O-CB 3.32Å; G23-P511 WeakPolarHBondContact O-CG 3.43Å
24	P	37.5	Very low	57.8	Low	25 Å²	25	43.3 Å²	43.3	16%	0.162	24%	0.238	C	C	.	.			trans	-63.8	134.7	174.7	-20	34.9	0	0	0	110.8	R26 S510 A512	P24-R26 PolarHBondContact O-N 2.88Å; P24-S510 VanDerWaalsContact CB-OG 3.24Å; P24-S510 WeakPolarHBondContact CB-OG 3.33Å; P24-S510 VanDerWaalsContact CG-OG 3.3Å; P24-S510 WeakPolarHBondContact CG-OG 3.36Å; P24-A512 HydrophobicContact CG-CB 3.92Å
25	N	33.1	Very low	56.6	Low	86 Å²	86	46.6 Å²	46.6	46%	0.46	25%	0.25	S	S	.	.			trans	-58.9	101.9	169.5	-117.2	-12.2	0	0	0	108.8	G23 G29 G30	G23-N25 PolarHBondContact O-N 3.32Å; N25-G29 VanDerWaalsContact OD1-C 3.26Å; N25-G30 PolarHBondContact OD1-N 2.88Å; N25-G30 PolarHBondContact OD1-O 2.86Å
26	R	34.1	Very low	55.8	Low	102 Å²	102	45.2 Å²	45.2	39%	0.385	24%	0.242	S	C	.	.			trans	-92.7	-25	-178.3	-160.7	174.7	-79.5	-168.9	1.1	111.4	P24 G30	P24-R26 PolarHBondContact O-N 2.88Å; R26-G30 PolarHBondContact N-O 3.1Å
27	I	30.2	Very low	55.4	Low	28 Å²	28	44.1 Å²	44.1	14%	0.144	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-154.7	142.8	177.6	-48.2	168	0	0	0	107.9	G29 G30 L176 F177	I27-G29 PolarHBondContact O-N 3.12Å; I27-G30 PolarHBondContact O-N 3.29Å; I27-L176 HydrophobicContact CD1-CB 3.52Å; I27-L176 HydrophobicContact CD1-CD1 4.14Å; I27-L176 HydrophobicContact CD1-CD2 3.93Å; I27-L176 HydrophobicContact CD1-CG 4.06Å; I27-L176 WeakPolarHBondContact CD1-O 3.26Å; I27-F177 HydrophobicContact CB-CE1 4.18Å; I27-F177 HydrophobicContact CD1-CD1 3.97Å; I27-F177 HydrophobicContact CD1-CD2 3.73Å; I27-F177 HydrophobicContact CD1-CE1 3.58Å; I27-F177 HydrophobicContact CD1-CE2 3.31Å; I27-F177 HydrophobicContact CD1-CG 4.06Å; I27-F177 HydrophobicContact CD1-CZ 3.23Å; I27-F177 HydrophobicContact CG1-CD1 4.35Å; I27-F177 HydrophobicContact CG1-CE1 3.63Å; I27-F177 HydrophobicContact CG1-CE2 4.11Å; I27-F177 HydrophobicContact CG1-CZ 3.5Å; I27-F177 VanDerWaalsContact CG1-CZ 3.5Å; I27-F177 HydrophobicContact CG2-CD1 3.62Å; I27-F177 HydrophobicContact CG2-CE1 3.47Å; I27-F177 VanDerWaalsContact CG2-CE1 3.47Å; I27-F177 HydrophobicContact CG2-CG 4.5Å; I27-F177 HydrophobicContact CG2-CZ 4.25Å
28	S	30.2	Very low	55.8	Low	57 Å²	57	40.6 Å²	40.6	40%	0.399	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-7.3	86	173.3	-50.8	0	0	0	0	116.4
29	G	42.5	Very low	56.7	Low	3 Å²	3	37 Å²	37	3%	0.031	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-13.5	171.4	0	0	0	0	0	117.5	N25 I27 W31 V190 E225	N25-G29 VanDerWaalsContact OD1-C 3.26Å; I27-G29 PolarHBondContact O-N 3.12Å; G29-W31 VanDerWaalsContact O-CZ3 3.24Å; G29-W31 WeakPolarHBondContact O-CZ3 3.32Å; G29-V190 WeakPolarHBondContact O-CG2 2.99Å; G29-E225 VanDerWaalsContact CA-OE1 3.23Å; G29-E225 WeakPolarHBondContact CA-OE1 3.24Å; G29-E225 PolarHBondContact N-OE1 2.05Å
30	G	51.3	Low	57.8	Low	20 Å²	20	33.9 Å²	33.9	21%	0.206	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148	-169.6	0	0	0	0	0	116	N25 R26 I27 M189	N25-G30 PolarHBondContact OD1-N 2.88Å; N25-G30 PolarHBondContact OD1-O 2.86Å; R26-G30 PolarHBondContact N-O 3.1Å; I27-G30 PolarHBondContact O-N 3.29Å; G30-M189 CarbonylContact C-O 3.53Å; G30-M189 VanDerWaalsContact CA-O 3.28Å; G30-M189 WeakPolarHBondContact CA-O 3.5Å
31	W	62.5	Low	59.1	Low	28 Å²	28	33.3 Å²	33.3	11%	0.106	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	168.9	173.4	45.6	96.6	0	0	0	112.5	Y22 G23 G29 Y169 R188 M189 R191	Y22-W31 HydrophobicContact CD1-CH2 4.43Å; Y22-W31 AromaticContact CD1-CZ2 3.7Å; Y22-W31 HydrophobicContact CD1-CZ2 3.7Å; Y22-W31 HydrophobicContact CE1-CZ2 4.2Å; G23-W31 WeakPolarHBondContact O-CB 3.32Å; G29-W31 VanDerWaalsContact O-CZ3 3.24Å; G29-W31 WeakPolarHBondContact O-CZ3 3.32Å; W31-Y169 HydrophobicContact CZ2-CD1 4.42Å; W31-Y169 HydrophobicContact CZ2-CE1 4.2Å; W31-R188 CarbonylContact O-C 3.49Å; W31-R188 WeakPolarHBondContact O-CA 3.49Å; W31-M189 HydrophobicContact CG-CG 4.15Å; W31-M189 HydrophobicContact CZ2-CE 4.28Å; W31-M189 PolarHBondContact N-O 3.21Å; W31-M189 VanDerWaalsContact NE1-CG 3.31Å; W31-M189 PolarHBondContact NE1-SD 3.15Å; W31-M189 PolarHBondContact O-N 3.08Å; W31-R191 HydrophobicContact CH2-CB 3.44Å; W31-R191 VanDerWaalsContact CH2-CB 3.44Å; W31-R191 HydrophobicContact CZ2-CB 3.92Å; W31-R191 HydrophobicContact CZ3-CB 4.45Å
32	E	65.6	Low	60.9	Low	55 Å²	55	31 Å²	31	26%	0.257	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	140.7	167.2	-149.4	165	132.8	0	0	110.9	H106 E186 L187 R188	E32-H106 IonicContact OE1-CE1 3.49Å; E32-H106 IonicContact OE1-NE2 2.78Å; E32-H106 PolarHBondContact OE1-NE2 2.75Å; E32-E186 HydrophobicContact CG-CB 4.01Å; E32-E186 WeakPolarHBondContact OE1-CB 3.2Å; E32-L187 WeakPolarHBondContact CG-O 3.13Å; E32-R188 VanDerWaalsContact CB-NH1 3.25Å; E32-R188 IonicContact OE2-CZ 2.73Å; E32-R188 IonicContact OE2-NH1 3.41Å; E32-R188 PolarHBondContact OE2-NH1 3.32Å; E32-R188 IonicContact OE2-NH2 2.85Å; E32-R188 PolarHBondContact OE2-NH2 2.97Å
33	V	69.2	Low	62.6	Low	3 Å²	3	27.2 Å²	27.2	2%	0.018	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-70.5	132.9	168.1	171.5	0	0	0	0	108.1	R35 S37 F38 H106 A171 L187 M189	V33-R35 PolarHBondContact O-N 3.22Å; V33-S37 WeakPolarHBondContact CG1-OG 3.38Å; V33-F38 HydrophobicContact CG1-CB 4.24Å; V33-F38 HydrophobicContact CG1-CD2 3.75Å; V33-F38 HydrophobicContact CG1-CG 4.33Å; V33-F38 HydrophobicContact CG2-CD2 4.16Å; V33-F38 HydrophobicContact CG2-CE2 4.49Å; V33-H106 PolarHBondContact O-CE1 3.39Å; V33-A171 HydrophobicContact CG2-CB 4.27Å; V33-L187 HydrophobicContact CB-CB 4.21Å; V33-L187 HydrophobicContact CB-CD2 4.11Å; V33-L187 HydrophobicContact CB-CG 4.01Å; V33-L187 HydrophobicContact CG1-CD2 3.96Å; V33-L187 HydrophobicContact CG1-CG 4.42Å; V33-L187 HydrophobicContact CG2-CB 4.47Å; V33-L187 HydrophobicContact CG2-CD2 4.09Å; V33-L187 HydrophobicContact CG2-CG 3.82Å; V33-L187 PolarHBondContact N-O 3.27Å; V33-M189 HydrophobicContact CG2-CB 3.51Å; V33-M189 HydrophobicContact CG2-CG 3.53Å; V33-M189 HydrophobicContact CG2-SD 3.84Å
34	A	64.6	Low	64.8	Low	30 Å²	30	26.8 Å²	26.8	25%	0.248	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-63.1	130.4	166.5	0	0	0	0	0	109	V21 H36 S37	V21-A34 HydrophobicContact CB-CB 3.88Å; V21-A34 HydrophobicContact CG2-CB 3.76Å; A34-H36 PolarHBondContact O-N 2.9Å; A34-S37 VanDerWaalsContact O-CB 3.31Å; A34-S37 WeakPolarHBondContact O-CB 3.33Å; A34-S37 PolarHBondContact O-N 3.48Å; A34-S37 PolarHBondContact O-OG 2.79Å
35	R	66.7	Low	67	Low	70 Å²	70	26.4 Å²	26.4	26%	0.264	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.9	128	-177	-72.2	-174.6	-173.3	-103.8	-1.1	110.9	V33 S37 H106 M107 E110	V33-R35 PolarHBondContact O-N 3.22Å; R35-S37 PolarHBondContact O-N 3.37Å; R35-H106 HydrophobicContact CG-CB 4.08Å; R35-M107 VanDerWaalsContact NH2-CE 3.26Å; R35-M107 PolarHBondContact NH2-SD 2.98Å; R35-E110 IonicContact NH1-OE1 2.7Å; R35-E110 PolarHBondContact NH1-OE1 2.93Å
36	H	70.6	Confident	69.3	Low	22 Å²	22	22.7 Å²	22.7	10%	0.102	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	8.1	179	-38.6	-71	0	0	0	117.5	F18 A34 F38 F149 Y298	F18-H36 HydrophobicContact CD2-CB 3.72Å; F18-H36 HydrophobicContact CE2-CB 3.91Å; A34-H36 PolarHBondContact O-N 2.9Å; H36-F38 VanDerWaalsContact C-N 3.26Å; H36-F38 PolarHBondContact O-N 2.8Å; H36-F149 HydrophobicContact CB-CB 4.47Å; H36-F149 HydrophobicContact CB-CD1 3.74Å; H36-F149 AromaticContact CD2-CD1 3.67Å; H36-F149 AromaticContact CD2-CE1 3.96Å; H36-F149 AromaticContact CG-CD1 3.41Å; H36-F149 VanDerWaalsContact CG-CD1 3.41Å; H36-F149 AromaticContact ND1-CD1 3.7Å; H36-Y298 WeakPolarHBondContact NE2-CB 3.39Å; H36-Y298 AromaticContact NE2-CG 3.9Å
37	S	77.2	Confident	71.2	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-74.7	-12.5	172.9	63.7	0	0	0	0	114.3	P16 F18 A19 V33 A34 R35 P39	P16-S37 VanDerWaalsContact CB-O 3.24Å; P16-S37 WeakPolarHBondContact CB-O 3.25Å; F18-S37 WeakPolarHBondContact O-CA 3.29Å; F18-S37 WeakPolarHBondContact O-CB 3.46Å; A19-S37 WeakPolarHBondContact O-CB 3.48Å; V33-S37 WeakPolarHBondContact CG1-OG 3.38Å; A34-S37 VanDerWaalsContact O-CB 3.31Å; A34-S37 WeakPolarHBondContact O-CB 3.33Å; A34-S37 PolarHBondContact O-N 3.48Å; A34-S37 PolarHBondContact O-OG 2.79Å; R35-S37 PolarHBondContact O-N 3.37Å; S37-P39 WeakPolarHBondContact O-CD 3.24Å
38	F	85.5	Confident	72.9	Confident	10 Å²	10	22 Å²	22	4%	0.044	12%	0.119	C	C	.	.	S	Bend	trans	-116.2	68.2	168.9	-82.3	-111.8	0	0	0	110.8	P20 V33 H36 W40 H41 A171 L187 M189 V237	P20-F38 HydrophobicContact CB-CE2 3.97Å; P20-F38 HydrophobicContact CG-CE2 3.94Å; V33-F38 HydrophobicContact CG1-CB 4.24Å; V33-F38 HydrophobicContact CG1-CD2 3.75Å; V33-F38 HydrophobicContact CG1-CG 4.33Å; V33-F38 HydrophobicContact CG2-CD2 4.16Å; V33-F38 HydrophobicContact CG2-CE2 4.49Å; H36-F38 VanDerWaalsContact C-N 3.26Å; H36-F38 PolarHBondContact O-N 2.8Å; F38-W40 HydrophobicContact CD1-CZ2 4.14Å; F38-W40 AromaticContact CD1-NE1 3.49Å; F38-W40 HydrophobicContact CE1-CZ2 4.42Å; F38-W40 HydrophobicContact CG-CZ2 4.49Å; F38-W40 PolarHBondContact O-N 3.39Å; F38-W40 VanDerWaalsContact O-N 3.07Å; F38-H41 HydrophobicContact CB-CB 4.21Å; F38-H41 WeakPolarHBondContact O-CB 3.11Å; F38-H41 PolarHBondContact O-N 2.8Å; F38-A171 HydrophobicContact CD1-CB 3.6Å; F38-A171 HydrophobicContact CE1-CB 3.78Å; F38-A171 HydrophobicContact CG-CB 4.14Å; F38-A171 HydrophobicContact CZ-CB 4.45Å; F38-L187 HydrophobicContact CB-CD2 4.35Å; F38-M189 HydrophobicContact CD2-SD 4.35Å; F38-M189 HydrophobicContact CE2-CE 3.64Å; F38-M189 HydrophobicContact CE2-SD 3.49Å; F38-M189 WeakPolarHBondContact CE2-SD 2.98Å; F38-M189 HydrophobicContact CZ-CE 3.63Å; F38-M189 HydrophobicContact CZ-SD 4.03Å; F38-V237 HydrophobicContact CE1-CG2 3.74Å; F38-V237 HydrophobicContact CZ-CG2 4.42Å
39	P	89	Confident	74.1	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.019	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-3.5	-171.2	33	-39.3	0	0	0	114.6	P16 S37 F149 T150 R151	P16-P39 HydrophobicContact CB-CG 3.9Å; S37-P39 WeakPolarHBondContact O-CD 3.24Å; P39-F149 VanDerWaalsContact CA-O 3.27Å; P39-F149 WeakPolarHBondContact CA-O 3.35Å; P39-F149 WeakPolarHBondContact CB-O 3.28Å; P39-T150 WeakPolarHBondContact O-CA 3.07Å; P39-R151 CarbonylContact C-O 3.56Å; P39-R151 HydrophobicContact CB-CB 4.14Å; P39-R151 HydrophobicContact CB-CG 4.49Å; P39-R151 HydrophobicContact CG-CB 3.95Å; P39-R151 HydrophobicContact CG-CG 4.46Å; P39-R151 PolarHBondContact O-N 2.86Å
40	W	92.9	Very high	74.3	Confident	3 Å²	3	31 Å²	31	1%	0.011	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-15.3	171.3	44.1	81.7	0	0	0	113.2	P16 F38 S61 L62 R151 V153 V237 F244	P16-W40 HydrophobicContact CB-CH2 4.08Å; P16-W40 HydrophobicContact CB-CZ3 4.09Å; P16-W40 HydrophobicContact CG-CH2 4.02Å; P16-W40 HydrophobicContact CG-CZ3 4.37Å; F38-W40 HydrophobicContact CD1-CZ2 4.14Å; F38-W40 AromaticContact CD1-NE1 3.49Å; F38-W40 HydrophobicContact CE1-CZ2 4.42Å; F38-W40 HydrophobicContact CG-CZ2 4.49Å; F38-W40 PolarHBondContact O-N 3.39Å; F38-W40 VanDerWaalsContact O-N 3.07Å; W40-S61 CarbonylContact O-C 3.6Å; W40-S61 VanDerWaalsContact O-CA 3.32Å; W40-S61 WeakPolarHBondContact O-CA 3.22Å; W40-L62 HydrophobicContact CB-CB 4.44Å; W40-L62 PolarHBondContact O-N 2.77Å; W40-R151 WeakPolarHBondContact CA-O 3.2Å; W40-R151 VanDerWaalsContact CB-O 3.23Å; W40-R151 WeakPolarHBondContact CB-O 3.41Å; W40-R151 PolarHBondContact N-O 2.87Å; W40-V153 HydrophobicContact CB-CB 3.99Å; W40-V153 HydrophobicContact CB-CG1 4.47Å; W40-V153 HydrophobicContact CD2-CB 3.9Å; W40-V153 HydrophobicContact CD2-CG2 4.35Å; W40-V153 HydrophobicContact CE3-CB 4.31Å; W40-V153 HydrophobicContact CG-CB 3.74Å; W40-V237 HydrophobicContact CZ2-CG2 4.48Å; W40-F244 HydrophobicContact CH2-CB 3.66Å; W40-F244 AromaticContact CH2-CD2 3.69Å; W40-F244 HydrophobicContact CH2-CD2 3.69Å; W40-F244 AromaticContact CH2-CG 3.74Å; W40-F244 HydrophobicContact CH2-CG 3.74Å; W40-F244 HydrophobicContact CZ2-CB 3.81Å; W40-F244 HydrophobicContact CZ2-CD1 4.42Å; W40-F244 HydrophobicContact CZ2-CD2 4.26Å; W40-F244 AromaticContact CZ2-CG 3.91Å; W40-F244 HydrophobicContact CZ2-CG 3.91Å; W40-F244 HydrophobicContact CZ3-CB 4.44Å
41	H	91	Very high	74.1	Confident	7 Å²	7	31.8 Å²	31.8	3%	0.032	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.5	-175.8	-174.6	83.1	0	0	0	111.3	F38 A171 H173 L187	F38-H41 HydrophobicContact CB-CB 4.21Å; F38-H41 WeakPolarHBondContact O-CB 3.11Å; F38-H41 PolarHBondContact O-N 2.8Å; H41-A171 PolarHBondContact CE1-O 3.08Å; H41-A171 VanDerWaalsContact CE1-O 3.24Å; H41-A171 PolarHBondContact ND1-O 3.23Å; H41-H173 AromaticContact NE2-ND1 3.87Å; H41-L187 HydrophobicContact CB-CD2 4.16Å; H41-L187 VanDerWaalsContact CD2-CD1 3.48Å; H41-L187 WeakPolarHBondContact CD2-CD1 3.45Å; H41-L187 WeakPolarHBondContact NE2-CD1 3.35Å
42	V	91.8	Very high	73.1	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.5	173.2	-54.8	0	0	0	0	111	I44 G59 G60 L62 V74 V101 T102 V103	V42-I44 HydrophobicContact CG2-CG1 4.35Å; V42-G59 CarbonylContact O-C 3.48Å; V42-G59 WeakPolarHBondContact O-CA 3.49Å; V42-G60 PolarHBondContact N-O 2.9Å; V42-G60 VanDerWaalsContact N-O 3.12Å; V42-G60 PolarHBondContact O-N 3.36Å; V42-L62 HydrophobicContact CG1-CD1 4.44Å; V42-L62 HydrophobicContact CG1-CD2 3.93Å; V42-L62 HydrophobicContact CG1-CG 3.76Å; V42-V74 HydrophobicContact CG2-CG1 3.62Å; V42-V74 HydrophobicContact CG2-CG2 4.25Å; V42-V101 HydrophobicContact CB-CG1 3.68Å; V42-V101 HydrophobicContact CG1-CG1 4.19Å; V42-V101 HydrophobicContact CG2-CG1 3.73Å; V42-T102 WeakPolarHBondContact CA-O 3.48Å; V42-T102 WeakPolarHBondContact CB-O 3.28Å; V42-V103 HydrophobicContact CG1-CB 4.37Å; V42-V103 HydrophobicContact CG1-CG1 3.88Å
43	H	87.6	Confident	72.1	Confident	10 Å²	10	40.9 Å²	40.9	5%	0.046	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	119.5	176.6	175	-115.2	0	0	0	109.9	M45 T102 V105	H43-M45 PolarHBondContact CE1-SD 2.91Å; H43-T102 PolarHBondContact N-O 2.69Å; H43-T102 PolarHBondContact O-N 2.9Å; H43-V105 HydrophobicContact CB-CG1 3.75Å
44	I	88.7	Confident	71.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.1	-176.6	-50.8	178.9	0	0	0	108.6	V42 V46 Q57 C58 G59 V74 T76 I99 V101 L138	V42-I44 HydrophobicContact CG2-CG1 4.35Å; I44-V46 HydrophobicContact CG2-CG2 4.11Å; I44-Q57 WeakPolarHBondContact O-CA 3.48Å; I44-C58 HydrophobicContact CB-CB 4.3Å; I44-C58 PolarHBondContact N-O 2.95Å; I44-C58 PolarHBondContact O-N 2.66Å; I44-G59 WeakPolarHBondContact CD1-O 2.96Å; I44-V74 HydrophobicContact CD1-CG1 4.16Å; I44-T76 HydrophobicContact CD1-CG2 3.82Å; I44-I99 HydrophobicContact CG2-CG2 3.82Å; I44-V101 HydrophobicContact CG1-CG2 4.34Å; I44-L138 HydrophobicContact CD1-CD1 3.96Å
45	M	83.4	Confident	71.1	Confident	18 Å²	18	48.3 Å²	48.3	9%	0.089	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.4	169.6	-73.4	-69.4	-52.9	0	0	109.2	H43 F47 Q57 I99 V100	H43-M45 PolarHBondContact CE1-SD 2.91Å; M45-F47 HydrophobicContact CB-CD2 4.5Å; M45-F47 HydrophobicContact CB-CE2 3.86Å; M45-F47 HydrophobicContact CB-CZ 3.97Å; M45-F47 HydrophobicContact CE-CD1 4.4Å; M45-F47 HydrophobicContact CE-CE1 3.83Å; M45-F47 HydrophobicContact CE-CZ 4.09Å; M45-F47 HydrophobicContact CG-CZ 4.41Å; M45-Q57 HydrophobicContact CE-CG 4.48Å; M45-Q57 HydrophobicContact SD-CG 3.71Å; M45-Q57 PolarHBondContact SD-NE2 3.21Å; M45-Q57 VanDerWaalsContact SD-NE2 3.37Å; M45-I99 WeakPolarHBondContact O-CA 3.35Å; M45-V100 PolarHBondContact N-O 2.88Å; M45-V100 PolarHBondContact O-N 3.28Å
46	V	81.4	Confident	71.3	Confident	8 Å²	8	46.9 Å²	46.9	5%	0.048	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	99.4	173.8	-170.6	0	0	0	0	109.3	I44 G55 G56 K94 N98 I99	I44-V46 HydrophobicContact CG2-CG2 4.11Å; V46-G55 CarbonylContact O-C 3.56Å; V46-G55 WeakPolarHBondContact O-CA 3.27Å; V46-G56 PolarHBondContact N-O 3.47Å; V46-G56 PolarHBondContact O-N 2.96Å; V46-K94 HydrophobicContact CG1-CB 4.38Å; V46-K94 HydrophobicContact CG1-CD 3.56Å; V46-N98 CarbonylContact C-O 3.54Å; V46-N98 WeakPolarHBondContact CA-O 3.36Å; V46-I99 HydrophobicContact CG1-CG1 4.08Å; V46-I99 HydrophobicContact CG2-CG1 4.26Å; V46-I99 HydrophobicContact CG2-CG2 4.42Å
47	F	74.4	Confident	71.6	Confident	40 Å²	40	48.9 Å²	48.9	18%	0.175	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	143.6	-171.7	-65.7	-80.4	0	0	0	113	M45 Q52 N98 V100	M45-F47 HydrophobicContact CB-CD2 4.5Å; M45-F47 HydrophobicContact CB-CE2 3.86Å; M45-F47 HydrophobicContact CB-CZ 3.97Å; M45-F47 HydrophobicContact CE-CD1 4.4Å; M45-F47 HydrophobicContact CE-CE1 3.83Å; M45-F47 HydrophobicContact CE-CZ 4.09Å; M45-F47 HydrophobicContact CG-CZ 4.41Å; F47-Q52 WeakPolarHBondContact CD1-O 3.33Å; F47-N98 WeakPolarHBondContact CD2-O 3.46Å; F47-N98 PolarHBondContact N-O 3.36Å; F47-N98 WeakPolarHBondContact O-CB 3.22Å; F47-N98 PolarHBondContact O-ND2 2.9Å; F47-V100 HydrophobicContact CD2-CG2 4.29Å; F47-V100 HydrophobicContact CE2-CB 4.06Å; F47-V100 HydrophobicContact CE2-CG2 3.8Å
48	D	64	Low	72	Confident	74 Å²	74	49.4 Å²	49.4	40%	0.396	28%	0.275	S	S	.	.			trans	-75	127	168.7	177.5	-12.6	0	0	0	109.5	N50 S51 Q52 K54	D48-N50 PolarHBondContact O-N 2.73Å; D48-N50 VanDerWaalsContact O-N 3.09Å; D48-N50 PolarHBondContact OD1-N 2.94Å; D48-N50 PolarHBondContact OD1-ND2 3.13Å; D48-S51 PolarHBondContact O-N 2.82Å; D48-S51 VanDerWaalsContact O-N 3.09Å; D48-Q52 PolarHBondContact O-N 3.34Å; D48-K54 PolarHBondContact N-O 3.1Å
49	V	57	Low	72.1	Confident	98 Å²	98	49 Å²	49	59%	0.594	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-35.5	-179.3	-146.2	0	0	0	0	112.4
50	N	45.8	Very low	72.2	Confident	152 Å²	152	48.9 Å²	48.9	81%	0.813	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-11.4	-173	-61.3	-59.3	0	0	0	114.1	D48	D48-N50 PolarHBondContact O-N 2.73Å; D48-N50 VanDerWaalsContact O-N 3.09Å; D48-N50 PolarHBondContact OD1-N 2.94Å; D48-N50 PolarHBondContact OD1-ND2 3.13Å
51	S	46.6	Very low	72.3	Confident	37 Å²	37	48.7 Å²	48.7	26%	0.259	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-26.7	-173.1	77.9	0	0	0	0	115.4	D48 T53 K54	D48-S51 PolarHBondContact O-N 2.82Å; D48-S51 VanDerWaalsContact O-N 3.09Å; S51-T53 WeakPolarHBondContact O-CB 3.37Å; S51-T53 WeakPolarHBondContact O-CG2 3.43Å; S51-T53 PolarHBondContact O-N 2.97Å; S51-T53 PolarHBondContact O-OG1 2.87Å; S51-K54 PolarHBondContact OG-N 3.28Å; S51-K54 VanDerWaalsContact OG-N 3.13Å; S51-K54 PolarHBondContact OG-O 3.47Å
52	Q	43.3	Very low	72.6	Confident	158 Å²	158	48.4 Å²	48.4	74%	0.738	27%	0.271	S	S	*	.	S	Bend	trans	49.5	1.5	-171.4	-62.9	-169.2	-0.4	0	0	116.5	F47 D48	F47-Q52 WeakPolarHBondContact CD1-O 3.33Å; D48-Q52 PolarHBondContact O-N 3.34Å
53	T	44.3	Very low	72.7	Confident	115 Å²	115	48.4 Å²	48.4	71%	0.706	27%	0.271	S	S	*	.	S	Bend	trans	-126.6	-20.9	-169	50	0	0	0	0	111.8	S51	S51-T53 WeakPolarHBondContact O-CB 3.37Å; S51-T53 WeakPolarHBondContact O-CG2 3.43Å; S51-T53 PolarHBondContact O-N 2.97Å; S51-T53 PolarHBondContact O-OG1 2.87Å
54	K	51.9	Low	72.9	Confident	158 Å²	158	49.7 Å²	49.7	69%	0.687	28%	0.275	S	S	*	.			trans	-112.6	149.3	168.3	-63	177.2	-177.8	172.2	0	109.2	D48 S51	D48-K54 PolarHBondContact N-O 3.1Å; S51-K54 PolarHBondContact OG-N 3.28Å; S51-K54 VanDerWaalsContact OG-N 3.13Å; S51-K54 PolarHBondContact OG-O 3.47Å
55	G	60.9	Low	73	Confident	32 Å²	32	52.1 Å²	52.1	33%	0.33	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	163.8	-177.7	0	0	0	0	0	112.2	V46	V46-G55 CarbonylContact O-C 3.56Å; V46-G55 WeakPolarHBondContact O-CA 3.27Å
56	G	69.3	Low	73.1	Confident	40 Å²	40	56.4 Å²	56.4	41%	0.412	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	150.9	167.9	0	0	0	0	0	111.1	V46	V46-G56 PolarHBondContact N-O 3.47Å; V46-G56 PolarHBondContact O-N 2.96Å
57	Q	77.1	Confident	73.1	Confident	64 Å²	64	61 Å²	61	30%	0.299	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	131.8	175.8	-60.7	-166.9	-32.2	0	0	109.1	I44 M45	I44-Q57 WeakPolarHBondContact O-CA 3.48Å; M45-Q57 HydrophobicContact CE-CG 4.48Å; M45-Q57 HydrophobicContact SD-CG 3.71Å; M45-Q57 PolarHBondContact SD-NE2 3.21Å; M45-Q57 VanDerWaalsContact SD-NE2 3.37Å
58	C	85.2	Confident	73.6	Confident	11 Å²	11	60.7 Å²	60.7	7%	0.074	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158.9	174.1	-81	0	0	0	0	110.8	I44 C80 S232	I44-C58 HydrophobicContact CB-CB 4.3Å; I44-C58 PolarHBondContact N-O 2.95Å; I44-C58 PolarHBondContact O-N 2.66Å; C58-C80 HydrophobicContact CB-CB 3.74Å; C58-C80 WeakPolarHBondContact CB-SG 3.27Å; C58-C80 WeakPolarHBondContact SG-CB 3.48Å; C58-C80 CovalentContact SG-SG 2.03Å; C58-C80 PolarHBondContact SG-SG 3.47Å; C58-S232 CarbonylContact C-O 3.56Å; C58-S232 WeakPolarHBondContact CA-O 3.22Å; C58-S232 VanDerWaalsContact CB-O 3.24Å; C58-S232 WeakPolarHBondContact CB-O 3.48Å
59	G	87.9	Confident	74.8	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	169.8	162.3	0	0	0	0	0	112.3	V42 I44 T76 S232 G233	V42-G59 CarbonylContact O-C 3.48Å; V42-G59 WeakPolarHBondContact O-CA 3.49Å; I44-G59 WeakPolarHBondContact CD1-O 2.96Å; G59-T76 PolarHBondContact O-OG1 3.18Å; G59-S232 PolarHBondContact N-O 3.27Å; G59-G233 CarbonylContact C-O 3.52Å; G59-G233 CarbonylContact O-C 3.55Å; G59-G233 VanDerWaalsContact O-C 3.22Å; G59-G233 WeakPolarHBondContact O-CA 3.13Å
60	G	92.3	Very high	76.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	-175.6	167.8	0	0	0	0	0	110.8	V42 L75	V42-G60 PolarHBondContact N-O 2.9Å; V42-G60 VanDerWaalsContact N-O 3.12Å; V42-G60 PolarHBondContact O-N 3.36Å; G60-L75 CarbonylContact C-O 3.53Å; G60-L75 WeakPolarHBondContact CA-O 3.19Å
61	S	95.4	Very high	78.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	127.9	-176.9	25.8	0	0	0	0	111.6	W40 I63 V74 L75 Q246	W40-S61 CarbonylContact O-C 3.6Å; W40-S61 VanDerWaalsContact O-CA 3.32Å; W40-S61 WeakPolarHBondContact O-CA 3.22Å; S61-I63 PolarHBondContact O-N 3.11Å; S61-V74 CarbonylContact O-C 3.56Å; S61-V74 WeakPolarHBondContact O-CA 3.45Å; S61-L75 PolarHBondContact N-O 3.49Å; S61-L75 PolarHBondContact O-N 3.35Å; S61-L75 PolarHBondContact OG-O 3Å; S61-Q246 PolarHBondContact OG-NE2 3.09Å; S61-Q246 PolarHBondContact OG-OE1 3.33Å; S61-Q246 VanDerWaalsContact OG-OE1 3.05Å
62	L	95.4	Very high	81.1	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	120.7	163.5	-64.3	176.6	0	0	0	108.6	W40 V42 T71 V74 V103 I144 P152 V153	W40-L62 HydrophobicContact CB-CB 4.44Å; W40-L62 PolarHBondContact O-N 2.77Å; V42-L62 HydrophobicContact CG1-CD1 4.44Å; V42-L62 HydrophobicContact CG1-CD2 3.93Å; V42-L62 HydrophobicContact CG1-CG 3.76Å; L62-T71 HydrophobicContact CB-CG2 4.13Å; L62-T71 HydrophobicContact CD2-CG2 4Å; L62-T71 HydrophobicContact CG-CG2 4.5Å; L62-V74 HydrophobicContact CD2-CG2 4.09Å; L62-V103 HydrophobicContact CD2-CG1 4.47Å; L62-I144 HydrophobicContact CD2-CG1 4.41Å; L62-P152 VanDerWaalsContact O-CA 3.23Å; L62-P152 WeakPolarHBondContact O-CA 3.4Å; L62-V153 PolarHBondContact O-N 3.21Å
63	I	95.7	Very high	83.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.255	C	S	.	.			trans	-117.9	168.9	176.9	57.8	157.5	0	0	0	110.1	S61 T71 L73 L75 V153 L155 I276	S61-I63 PolarHBondContact O-N 3.11Å; I63-T71 WeakPolarHBondContact O-CB 3.43Å; I63-T71 PolarHBondContact O-OG1 3.01Å; I63-L73 HydrophobicContact CD1-CB 4.18Å; I63-L73 HydrophobicContact CD1-CD1 4.44Å; I63-L73 HydrophobicContact CG1-CB 3.71Å; I63-L73 PolarHBondContact N-O 2.9Å; I63-L73 VanDerWaalsContact N-O 3.14Å; I63-L75 HydrophobicContact CD1-CB 4Å; I63-L75 HydrophobicContact CG1-CB 4.18Å; I63-L75 HydrophobicContact CG2-CB 3.77Å; I63-L75 HydrophobicContact CG2-CD2 4.17Å; I63-V153 HydrophobicContact CG2-CG1 4.04Å; I63-L155 HydrophobicContact CB-CD2 4.23Å; I63-L155 HydrophobicContact CB-CG 4.36Å; I63-L155 HydrophobicContact CD1-CD1 4.31Å; I63-L155 HydrophobicContact CD1-CD2 4.46Å; I63-L155 HydrophobicContact CG2-CD2 3.86Å; I63-L155 HydrophobicContact CG2-CG 4.45Å; I63-I276 HydrophobicContact CD1-CG2 3.97Å
64	R	91.6	Very high	86.1	Confident	37 Å²	37	37.3 Å²	37.3	14%	0.14	22%	0.221	C	C	.	.			trans	-142.5	144.8	166.9	69.4	172.3	-173	-174.4	9.9	110.5	D9 Y11 Y146 P152	D9-R64 IonicContact OD1-NH1 3.42Å; D9-R64 IonicContact OD2-CZ 3.94Å; D9-R64 IonicContact OD2-NH1 3.97Å; D9-R64 PolarHBondContact OD2-NH1 3.24Å; D9-R64 IonicContact OD2-NH2 3.5Å; D9-R64 PolarHBondContact OD2-NH2 2.91Å; Y11-R64 PolarHBondContact O-NH1 3.47Å; R64-Y146 WeakPolarHBondContact CB-OH 3.02Å; R64-P152 HydrophobicContact CB-CB 4.19Å; R64-P152 HydrophobicContact CB-CG 4.24Å; R64-P152 HydrophobicContact CG-CB 4.08Å; R64-P152 HydrophobicContact CG-CG 3.87Å
65	I	90.7	Very high	88.2	Confident	50 Å²	50	29.8 Å²	29.8	26%	0.256	19%	0.188	S	C	.	.	S	Bend	trans	-96	-50	171	-67.5	160.5	0	0	0	109.3	L73 L155 I276 V277 D280	I65-L73 HydrophobicContact CD1-CD1 3.75Å; I65-L73 HydrophobicContact CG1-CD1 4.24Å; I65-L155 HydrophobicContact CG1-CD1 4.4Å; I65-I276 HydrophobicContact CD1-CG2 4.19Å; I65-I276 HydrophobicContact CG1-CG2 4.45Å; I65-V277 HydrophobicContact CD1-CG2 4.36Å; I65-V277 HydrophobicContact CG1-CG2 4.38Å; I65-V277 HydrophobicContact CG2-CG2 4.06Å; I65-D280 HydrophobicContact CD1-CB 3.33Å
66	N	84.5	Confident	89.8	Confident	109 Å²	109	28.3 Å²	28.3	58%	0.583	17%	0.173	S	C	*	.	S	Bend	trans	-101.2	152.5	-179.2	-64.2	-57.1	0	0	0	112.1
67	P	82.4	Confident	90.9	Very high	105 Å²	105	26.4 Å²	26.4	68%	0.682	15%	0.153	S	C	*	.			trans	-59.4	149.9	167.1	-20.9	33.1	0	0	0	111.8
68	G	85.1	Confident	91.6	Very high	33 Å²	33	23.3 Å²	23.3	34%	0.34	14%	0.139	S	C	.	.	S	Bend	trans	170.5	-173.9	-178.7	0	0	0	0	0	112.1	Y146	G68-Y146 WeakPolarHBondContact O-CD2 3.15Å; G68-Y146 WeakPolarHBondContact O-CE2 3.45Å
69	N	89.1	Confident	91.7	Very high	98 Å²	98	25.1 Å²	25.1	52%	0.524	15%	0.146	S	C	.	.	S	Bend	trans	-110.2	5.4	177.8	65.7	-23.7	0	0	0	113.6	Y146	N69-Y146 PolarHBondContact O-N 3.31Å
70	A	91.6	Very high	91.6	Very high	19 Å²	19	25.3 Å²	25.3	16%	0.157	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	162	178.6	0	0	0	0	0	111.5	K143 I144 Y146 I289	A70-K143 HydrophobicContact CB-CB 4.03Å; A70-I144 CarbonylContact C-O 3.57Å; A70-I144 WeakPolarHBondContact CA-O 3.23Å; A70-I144 VanDerWaalsContact CB-O 3.32Å; A70-I144 WeakPolarHBondContact CB-O 3.43Å; A70-Y146 VanDerWaalsContact C-CE1 3.48Å; A70-Y146 VanDerWaalsContact C-CZ 3.4Å; A70-Y146 PolarHBondContact O-OH 3.39Å; A70-Y146 VanDerWaalsContact O-OH 3.11Å; A70-I289 HydrophobicContact CB-CG2 4.48Å
71	T	93.9	Very high	91.4	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.043	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.9	169.7	-168	0	0	0	0	112.3	L62 I63 L73 K143 I144 Y146	L62-T71 HydrophobicContact CB-CG2 4.13Å; L62-T71 HydrophobicContact CD2-CG2 4Å; L62-T71 HydrophobicContact CG-CG2 4.5Å; I63-T71 WeakPolarHBondContact O-CB 3.43Å; I63-T71 PolarHBondContact O-OG1 3.01Å; T71-L73 PolarHBondContact OG1-N 2.62Å; T71-L73 VanDerWaalsContact OG1-N 3.11Å; T71-K143 CarbonylContact O-C 3.6Å; T71-K143 WeakPolarHBondContact O-CA 3.31Å; T71-I144 PolarHBondContact N-O 3.18Å; T71-I144 PolarHBondContact O-N 2.78Å; T71-Y146 WeakPolarHBondContact CB-OH 3.32Å; T71-Y146 HydrophobicContact CG2-CE1 3.81Å
72	D	94.8	Very high	90.9	Very high	14 Å²	14	25.7 Å²	25.7	8%	0.075	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-0.3	167.4	47.6	24.7	0	0	0	112.5	R139 L140 K143 T286	D72-R139 HydrophobicContact CB-CG 3.88Å; D72-R139 CarbonylContact O-C 3.55Å; D72-R139 WeakPolarHBondContact O-CA 3.27Å; D72-R139 IonicContact OD1-NE 2.8Å; D72-R139 IonicContact OD2-NE 2.62Å; D72-L140 HydrophobicContact CB-CB 4.48Å; D72-L140 WeakPolarHBondContact O-CG 3.25Å; D72-L140 PolarHBondContact O-N 2.84Å; D72-K143 HydrophobicContact CB-CG 3.67Å; D72-K143 WeakPolarHBondContact OD2-CE 3.33Å; D72-K143 IonicContact OD2-NZ 2.68Å; D72-T286 HydrophobicContact CB-CG2 4.43Å; D72-T286 WeakPolarHBondContact OD2-CB 3.37Å
73	L	96.5	Very high	90.1	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.4	-171.6	-60.6	-178.4	0	0	0	113.5	I63 I65 T71 V137 R139 D280 M283	I63-L73 HydrophobicContact CD1-CB 4.18Å; I63-L73 HydrophobicContact CD1-CD1 4.44Å; I63-L73 HydrophobicContact CG1-CB 3.71Å; I63-L73 PolarHBondContact N-O 2.9Å; I63-L73 VanDerWaalsContact N-O 3.14Å; I65-L73 HydrophobicContact CD1-CD1 3.75Å; I65-L73 HydrophobicContact CG1-CD1 4.24Å; T71-L73 PolarHBondContact OG1-N 2.62Å; T71-L73 VanDerWaalsContact OG1-N 3.11Å; L73-V137 HydrophobicContact CD2-CG1 4.15Å; L73-R139 HydrophobicContact CD2-CB 4.4Å; L73-R139 HydrophobicContact CD2-CG 4.47Å; L73-D280 HydrophobicContact CD1-CB 4.46Å; L73-D280 WeakPolarHBondContact CD1-OD1 3.3Å; L73-M283 HydrophobicContact CD2-CE 3.92Å
74	V	96.5	Very high	89.2	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.4	171.6	174.8	0	0	0	0	109.8	V42 I44 S61 L62 V101 V137 L138 L140	V42-V74 HydrophobicContact CG2-CG1 3.62Å; V42-V74 HydrophobicContact CG2-CG2 4.25Å; I44-V74 HydrophobicContact CD1-CG1 4.16Å; S61-V74 CarbonylContact O-C 3.56Å; S61-V74 WeakPolarHBondContact O-CA 3.45Å; L62-V74 HydrophobicContact CD2-CG2 4.09Å; V74-V101 HydrophobicContact CG2-CG1 4.22Å; V74-V137 WeakPolarHBondContact O-CA 3.4Å; V74-L138 HydrophobicContact CB-CB 4.26Å; V74-L138 HydrophobicContact CG1-CD1 4.4Å; V74-L138 PolarHBondContact N-O 3.02Å; V74-L138 PolarHBondContact O-N 3.47Å; V74-L140 HydrophobicContact CG2-CD1 4.02Å; V74-L140 HydrophobicContact CG2-CD2 4.17Å; V74-L140 HydrophobicContact CG2-CG 4.14Å
75	L	96.6	Very high	88.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.4	172	-171.8	64.1	0	0	0	110.1	G60 S61 I63 I135 V137 L155 I249 V269 I276	G60-L75 CarbonylContact C-O 3.53Å; G60-L75 WeakPolarHBondContact CA-O 3.19Å; S61-L75 PolarHBondContact N-O 3.49Å; S61-L75 PolarHBondContact O-N 3.35Å; S61-L75 PolarHBondContact OG-O 3Å; I63-L75 HydrophobicContact CD1-CB 4Å; I63-L75 HydrophobicContact CG1-CB 4.18Å; I63-L75 HydrophobicContact CG2-CB 3.77Å; I63-L75 HydrophobicContact CG2-CD2 4.17Å; L75-I135 HydrophobicContact CD1-CD1 4.03Å; L75-I135 HydrophobicContact CD1-CG1 3.89Å; L75-V137 HydrophobicContact CD1-CG2 3.96Å; L75-L155 HydrophobicContact CD2-CD2 4.17Å; L75-I249 HydrophobicContact CD1-CD1 4.01Å; L75-I249 HydrophobicContact CD2-CD1 4.02Å; L75-I249 HydrophobicContact CD2-CG1 4.44Å; L75-I249 HydrophobicContact CG-CD1 3.74Å; L75-I249 HydrophobicContact CG-CG1 4.39Å; L75-V269 HydrophobicContact CD2-CG1 4.27Å; L75-V269 HydrophobicContact CD2-CG2 4.38Å; L75-I276 HydrophobicContact CD1-CD1 4.07Å; L75-I276 HydrophobicContact CD1-CG1 4.34Å; L75-I276 HydrophobicContact CD2-CD1 4.17Å
76	T	94.6	Very high	87.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	-176	-179.3	-169.9	0	0	0	0	111.2	I44 G59 A136 L138 G233	I44-T76 HydrophobicContact CD1-CG2 3.82Å; G59-T76 PolarHBondContact O-OG1 3.18Å; T76-A136 HydrophobicContact CG2-CB 4.19Å; T76-A136 PolarHBondContact N-O 2.82Å; T76-A136 PolarHBondContact O-N 2.78Å; T76-L138 HydrophobicContact CG2-CD1 4.2Å; T76-L138 HydrophobicContact CG2-CD2 4.48Å; T76-L138 HydrophobicContact CG2-CG 4.19Å; T76-G233 WeakPolarHBondContact OG1-CA 3.43Å
77	A	92	Very high	87	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.			trans	-84	149.3	175.9	0	0	0	0	0	111.2	C80 I249	A77-C80 WeakPolarHBondContact O-CB 3.43Å; A77-C80 PolarHBondContact O-N 2.78Å; A77-I249 HydrophobicContact CB-CG2 3.98Å
78	A	92.2	Very high	86.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.3	-40.9	177.6	0	0	0	0	0	111.5	C80 I81 V82 D123 Y126 D134	A78-C80 PolarHBondContact O-N 2.98Å; A78-I81 CarbonylContact O-C 3.57Å; A78-I81 WeakPolarHBondContact O-CG1 3.42Å; A78-I81 PolarHBondContact O-N 3.01Å; A78-V82 HydrophobicContact CB-CG2 4.25Å; A78-V82 WeakPolarHBondContact O-CG2 3.4Å; A78-V82 PolarHBondContact O-N 2.9Å; A78-D123 HydrophobicContact CB-CB 4.19Å; A78-Y126 VanDerWaalsContact CB-CB 3.49Å; A78-Y126 HydrophobicContact CB-CD1 4.07Å; A78-Y126 HydrophobicContact CB-CD2 4.48Å; A78-Y126 HydrophobicContact CB-CG 3.79Å; A78-D134 WeakPolarHBondContact CA-OD1 3.43Å; A78-D134 WeakPolarHBondContact CB-OD1 3.46Å; A78-D134 PolarHBondContact N-OD1 2.77Å
79	H	86.3	Confident	86.3	Confident	48 Å²	48	43.8 Å²	43.8	22%	0.222	23%	0.229	C	C	.	.	H	α-helix	trans	-61.2	-14.3	-178.7	79.8	-98.8	0	0	0	114.3	Y126 D134 S232 S251	H79-Y126 HydrophobicContact CB-CE1 3.66Å; H79-D134 IonicContact CE1-OD2 3.58Å; H79-D134 IonicContact CG-OD1 2.93Å; H79-D134 IonicContact CG-OD2 3.68Å; H79-D134 PolarHBondContact N-OD1 3.02Å; H79-D134 IonicContact ND1-OD1 3.52Å; H79-D134 PolarHBondContact ND1-OD1 2.99Å; H79-D134 IonicContact ND1-OD2 2.74Å; H79-D134 PolarHBondContact ND1-OD2 2.86Å; H79-S232 WeakPolarHBondContact NE2-CB 3.42Å; H79-S232 PolarHBondContact NE2-OG 2.85Å; H79-S251 PolarHBondContact CE1-O 2.91Å
80	C	86.4	Confident	85.9	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.034	23%	0.229	C	C	.	.	H	α-helix	trans	-68.5	-40.7	170.3	-67	0	0	0	0	112.2	C58 A77 A78 K94	C58-C80 HydrophobicContact CB-CB 3.74Å; C58-C80 WeakPolarHBondContact CB-SG 3.27Å; C58-C80 WeakPolarHBondContact SG-CB 3.48Å; C58-C80 CovalentContact SG-SG 2.03Å; C58-C80 PolarHBondContact SG-SG 3.47Å; A77-C80 WeakPolarHBondContact O-CB 3.43Å; A77-C80 PolarHBondContact O-N 2.78Å; A78-C80 PolarHBondContact O-N 2.98Å; C80-K94 PolarHBondContact O-NZ 2.94Å
81	I	87.8	Confident	85.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-109.5	-10.4	-172.6	64.2	156.8	0	0	0	114.3	A78 K94 I99 L121 A136 L138	A78-I81 CarbonylContact O-C 3.57Å; A78-I81 WeakPolarHBondContact O-CG1 3.42Å; A78-I81 PolarHBondContact O-N 3.01Å; I81-K94 WeakPolarHBondContact O-CB 3.39Å; I81-K94 WeakPolarHBondContact O-CG 3.47Å; I81-K94 PolarHBondContact O-N 2.83Å; I81-I99 HydrophobicContact CB-CD1 4.24Å; I81-I99 HydrophobicContact CG2-CD1 3.85Å; I81-L121 HydrophobicContact CD1-CB 4.44Å; I81-L121 HydrophobicContact CD1-CD1 4.05Å; I81-L121 HydrophobicContact CD1-CD2 4.01Å; I81-L121 HydrophobicContact CD1-CG 4.41Å; I81-A136 HydrophobicContact CD1-CB 3.52Å; I81-A136 HydrophobicContact CG1-CB 3.97Å; I81-L138 HydrophobicContact CD1-CD2 3.97Å; I81-L138 HydrophobicContact CG2-CD2 4.08Å
82	V	85	Confident	84.7	Confident	8 Å²	8	48.6 Å²	48.6	5%	0.048	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.6	177.3	-163	0	0	0	0	109.5	A78 M91 M92 M93 D123	A78-V82 HydrophobicContact CB-CG2 4.25Å; A78-V82 WeakPolarHBondContact O-CG2 3.4Å; A78-V82 PolarHBondContact O-N 2.9Å; V82-M91 HydrophobicContact CB-CE 4.32Å; V82-M91 HydrophobicContact CG1-CB 3.71Å; V82-M91 HydrophobicContact CG1-CE 4.01Å; V82-M92 CarbonylContact C-O 3.59Å; V82-M92 WeakPolarHBondContact CA-O 3.33Å; V82-M92 VanDerWaalsContact CG1-O 3.26Å; V82-M92 WeakPolarHBondContact CG1-O 3.2Å; V82-M93 HydrophobicContact CG2-CG 4.27Å; V82-D123 HydrophobicContact CG2-CB 4.18Å
83	E	78.2	Confident	84.2	Confident	102 Å²	102	52.5 Å²	52.5	48%	0.477	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.6	174.7	62.7	-169.6	177.6	0	0	111.8	D85 M91 M92 K94	E83-D85 PolarHBondContact O-N 3.35Å; E83-M91 CarbonylContact O-C 3.58Å; E83-M91 WeakPolarHBondContact O-CA 3.36Å; E83-M92 PolarHBondContact N-O 3.36Å; E83-M92 PolarHBondContact O-N 2.94Å; E83-K94 HydrophobicContact CB-CG 4.47Å; E83-K94 HydrophobicContact CG-CG 3.88Å; E83-K94 WeakPolarHBondContact OE2-CE 3.41Å
84	F	76.7	Confident	83.6	Confident	117 Å²	117	54 Å²	54	51%	0.513	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	119.7	174.6	-178.8	-99.9	0	0	0	109.6	P86 G89 M91	F84-P86 HydrophobicContact CD1-CG 4.2Å; F84-P86 HydrophobicContact CE1-CB 4.25Å; F84-P86 HydrophobicContact CE1-CG 4.25Å; F84-P86 WeakPolarHBondContact O-CD 3.22Å; F84-G89 VanDerWaalsContact CE2-C 3.49Å; F84-M91 HydrophobicContact CB-SD 3.78Å; F84-M91 HydrophobicContact CD2-SD 4.28Å
85	D	74.4	Confident	83	Confident	48 Å²	48	57.2 Å²	57.2	26%	0.257	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.8	171.6	-172	-24.1	0	0	0	109.6	E83 K87 Y88 G89 K90 M92	E83-D85 PolarHBondContact O-N 3.35Å; D85-K87 PolarHBondContact O-N 3.07Å; D85-K87 VanDerWaalsContact O-N 3.17Å; D85-K87 WeakPolarHBondContact OD1-CB 3.49Å; D85-K87 PolarHBondContact OD1-N 3.19Å; D85-Y88 HydrophobicContact CB-CD2 4.3Å; D85-Y88 PolarHBondContact O-N 3.24Å; D85-Y88 VanDerWaalsContact OD2-CD2 3.24Å; D85-Y88 WeakPolarHBondContact OD2-CD2 3.39Å; D85-G89 PolarHBondContact O-N 2.79Å; D85-K90 PolarHBondContact N-O 3.49Å; D85-M92 HydrophobicContact CB-CB 4.22Å; D85-M92 HydrophobicContact CB-CG 3.82Å
86	P	71.8	Confident	82.6	Confident	107 Å²	107	60.1 Å²	60.1	70%	0.695	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.7	179.5	-21.1	33.7	0	0	0	113.8	F84	F84-P86 HydrophobicContact CD1-CG 4.2Å; F84-P86 HydrophobicContact CE1-CB 4.25Å; F84-P86 HydrophobicContact CE1-CG 4.25Å; F84-P86 WeakPolarHBondContact O-CD 3.22Å
87	K	74.7	Confident	82.1	Confident	161 Å²	161	64 Å²	64	70%	0.7	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-33	-179.7	-172.7	-173.4	174.6	-164.8	0	112.3	D85	D85-K87 PolarHBondContact O-N 3.07Å; D85-K87 VanDerWaalsContact O-N 3.17Å; D85-K87 WeakPolarHBondContact OD1-CB 3.49Å; D85-K87 PolarHBondContact OD1-N 3.19Å
88	Y	79.3	Confident	81.7	Confident	128 Å²	128	65.4 Å²	65.4	50%	0.502	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-6.1	-179.2	-60.5	-73	0	0	0	113.4	D85 K90	D85-Y88 HydrophobicContact CB-CD2 4.3Å; D85-Y88 PolarHBondContact O-N 3.24Å; D85-Y88 VanDerWaalsContact OD2-CD2 3.24Å; D85-Y88 WeakPolarHBondContact OD2-CD2 3.39Å; Y88-K90 PolarHBondContact O-N 2.86Å
89	G	74.5	Confident	81.5	Confident	53 Å²	53	65.4 Å²	65.4	55%	0.546	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	22.4	178.1	0	0	0	0	0	114.1	F84 D85	F84-G89 VanDerWaalsContact CE2-C 3.49Å; D85-G89 PolarHBondContact O-N 2.79Å
90	K	79.4	Confident	81.6	Confident	116 Å²	116	64.1 Å²	64.1	50%	0.504	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	162	-175.3	63.2	175.3	175.2	165.5	0	112.2	D85 Y88 M92	D85-K90 PolarHBondContact N-O 3.49Å; Y88-K90 PolarHBondContact O-N 2.86Å; K90-M92 HydrophobicContact CD-SD 4.2Å; K90-M92 VanDerWaalsContact CE-SD 3.51Å; K90-M92 HydrophobicContact CG-CG 4.33Å; K90-M92 HydrophobicContact CG-SD 4.18Å
91	M	78.5	Confident	81.8	Confident	41 Å²	41	63.9 Å²	63.9	20%	0.202	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	133.1	169.7	-61.8	-58.7	-68.6	0	0	110.1	V82 E83 F84 Y126	V82-M91 HydrophobicContact CB-CE 4.32Å; V82-M91 HydrophobicContact CG1-CB 3.71Å; V82-M91 HydrophobicContact CG1-CE 4.01Å; E83-M91 CarbonylContact O-C 3.58Å; E83-M91 WeakPolarHBondContact O-CA 3.36Å; F84-M91 HydrophobicContact CB-SD 3.78Å; F84-M91 HydrophobicContact CD2-SD 4.28Å; M91-Y126 HydrophobicContact CE-CD1 4.07Å; M91-Y126 HydrophobicContact CE-CE1 3.97Å
92	M	82.2	Confident	81.8	Confident	68 Å²	68	64 Å²	64	34%	0.335	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.2	-177.8	-70.5	-65.4	-70.6	0	0	110.1	V82 E83 D85 K90	V82-M92 CarbonylContact C-O 3.59Å; V82-M92 WeakPolarHBondContact CA-O 3.33Å; V82-M92 VanDerWaalsContact CG1-O 3.26Å; V82-M92 WeakPolarHBondContact CG1-O 3.2Å; E83-M92 PolarHBondContact N-O 3.36Å; E83-M92 PolarHBondContact O-N 2.94Å; D85-M92 HydrophobicContact CB-CB 4.22Å; D85-M92 HydrophobicContact CB-CG 3.82Å; K90-M92 HydrophobicContact CD-SD 4.2Å; K90-M92 VanDerWaalsContact CE-SD 3.51Å; K90-M92 HydrophobicContact CG-CG 4.33Å; K90-M92 HydrophobicContact CG-SD 4.18Å
93	M	84.4	Confident	81.9	Confident	96 Å²	96	63.6 Å²	63.6	47%	0.473	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	135.6	175.6	-64.1	-175.4	-65.1	0	0	110.5	V82 L121	V82-M93 HydrophobicContact CG2-CG 4.27Å; M93-L121 HydrophobicContact CE-CD1 4.3Å; M93-L121 HydrophobicContact CG-CD1 4.38Å; M93-L121 HydrophobicContact SD-CD1 3.33Å; M93-L121 WeakPolarHBondContact SD-CD1 3.19Å
94	K	83.3	Confident	81.9	Confident	37 Å²	37	59.1 Å²	59.1	16%	0.161	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-66.7	150.4	174.1	-66.2	172.8	-172.2	169	0	110.2	V46 C80 I81 E83 I96	V46-K94 HydrophobicContact CG1-CB 4.38Å; V46-K94 HydrophobicContact CG1-CD 3.56Å; C80-K94 PolarHBondContact O-NZ 2.94Å; I81-K94 WeakPolarHBondContact O-CB 3.39Å; I81-K94 WeakPolarHBondContact O-CG 3.47Å; I81-K94 PolarHBondContact O-N 2.83Å; E83-K94 HydrophobicContact CB-CG 4.47Å; E83-K94 HydrophobicContact CG-CG 3.88Å; E83-K94 WeakPolarHBondContact OE2-CE 3.41Å; K94-I96 PolarHBondContact O-N 2.94Å
95	P	85.2	Confident	81.9	Confident	67 Å²	67	54 Å²	54	44%	0.435	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-56.5	128.5	179	-25.2	34.4	0	0	0	112.2	A97 N98	P95-A97 PolarHBondContact O-N 2.99Å; P95-A97 VanDerWaalsContact O-N 3.15Å; P95-N98 WeakPolarHBondContact O-CB 3.48Å; P95-N98 PolarHBondContact O-N 2.87Å
96	I	87.7	Confident	81.9	Confident	60 Å²	60	51.9 Å²	51.9	31%	0.308	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-53.8	-38.2	-179.5	-62.3	178.4	0	0	0	111.3	K94 N98 I99 V118 L121	K94-I96 PolarHBondContact O-N 2.94Å; I96-N98 PolarHBondContact O-N 2.86Å; I96-I99 PolarHBondContact O-N 3.2Å; I96-V118 HydrophobicContact CG2-CB 3.93Å; I96-V118 HydrophobicContact CG2-CG1 4.01Å; I96-V118 WeakPolarHBondContact CG2-O 3.37Å; I96-L121 HydrophobicContact CD1-CG 4.23Å; I96-L121 HydrophobicContact CG1-CD2 3.98Å; I96-L121 HydrophobicContact CG1-CG 4.06Å
97	A	83.6	Confident	81.8	Confident	82 Å²	82	48.8 Å²	48.8	68%	0.678	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-57.2	-21.2	177.4	0	0	0	0	0	114.6	P95	P95-A97 PolarHBondContact O-N 2.99Å; P95-A97 VanDerWaalsContact O-N 3.15Å
98	N	84.2	Confident	81.7	Confident	30 Å²	30	43.5 Å²	43.5	16%	0.16	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-89.2	-6.3	179.4	-64.3	-0.4	0	0	0	112.9	V46 F47 P95 I96	V46-N98 CarbonylContact C-O 3.54Å; V46-N98 WeakPolarHBondContact CA-O 3.36Å; F47-N98 WeakPolarHBondContact CD2-O 3.46Å; F47-N98 PolarHBondContact N-O 3.36Å; F47-N98 WeakPolarHBondContact O-CB 3.22Å; F47-N98 PolarHBondContact O-ND2 2.9Å; P95-N98 WeakPolarHBondContact O-CB 3.48Å; P95-N98 PolarHBondContact O-N 2.87Å; I96-N98 PolarHBondContact O-N 2.86Å
99	I	87.7	Confident	81	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.6	-172.6	-53	171.8	0	0	0	110	I44 M45 V46 I81 I96 V118 L121 L138	I44-I99 HydrophobicContact CG2-CG2 3.82Å; M45-I99 WeakPolarHBondContact O-CA 3.35Å; V46-I99 HydrophobicContact CG1-CG1 4.08Å; V46-I99 HydrophobicContact CG2-CG1 4.26Å; V46-I99 HydrophobicContact CG2-CG2 4.42Å; I81-I99 HydrophobicContact CB-CD1 4.24Å; I81-I99 HydrophobicContact CG2-CD1 3.85Å; I96-I99 PolarHBondContact O-N 3.2Å; I99-V118 HydrophobicContact CB-CG2 4.07Å; I99-V118 HydrophobicContact CG2-CG2 3.64Å; I99-L121 HydrophobicContact CD1-CD2 3.52Å; I99-L138 HydrophobicContact CG2-CD1 4.39Å
100	V	87.8	Confident	80.5	Confident	21 Å²	21	39.8 Å²	39.8	13%	0.127	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.9	177.4	179.7	0	0	0	0	109.9	M45 F47 R115 R117	M45-V100 PolarHBondContact N-O 2.88Å; M45-V100 PolarHBondContact O-N 3.28Å; F47-V100 HydrophobicContact CD2-CG2 4.29Å; F47-V100 HydrophobicContact CE2-CB 4.06Å; F47-V100 HydrophobicContact CE2-CG2 3.8Å; V100-R115 HydrophobicContact CG1-CB 3.74Å; V100-R115 HydrophobicContact CG1-CG 3.77Å; V100-R117 HydrophobicContact CG2-CG 4.44Å
101	V	90.3	Very high	79.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.9	177	-177	0	0	0	0	109.3	V42 I44 V74 V103 R115 V116 V118 L138 L140	V42-V101 HydrophobicContact CB-CG1 3.68Å; V42-V101 HydrophobicContact CG1-CG1 4.19Å; V42-V101 HydrophobicContact CG2-CG1 3.73Å; I44-V101 HydrophobicContact CG1-CG2 4.34Å; V74-V101 HydrophobicContact CG2-CG1 4.22Å; V101-V103 HydrophobicContact CG1-CG1 4.29Å; V101-R115 CarbonylContact O-C 3.56Å; V101-R115 WeakPolarHBondContact O-CA 3.43Å; V101-V116 PolarHBondContact N-O 3.02Å; V101-V116 PolarHBondContact O-N 2.99Å; V101-V118 HydrophobicContact CG2-CG2 4.11Å; V101-L138 HydrophobicContact CG2-CD1 4.23Å; V101-L140 HydrophobicContact CB-CD2 3.81Å; V101-L140 HydrophobicContact CG1-CD2 4.3Å; V101-L140 HydrophobicContact CG2-CD2 3.71Å
102	T	88	Confident	78.2	Confident	1 Å²	1	40 Å²	40	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.2	171.7	-45	0	0	0	0	109.1	V42 H43 V105 R113 T114 R115	V42-T102 WeakPolarHBondContact CA-O 3.48Å; V42-T102 WeakPolarHBondContact CB-O 3.28Å; H43-T102 PolarHBondContact N-O 2.69Å; H43-T102 PolarHBondContact O-N 2.9Å; T102-V105 HydrophobicContact CG2-CB 4.01Å; T102-V105 HydrophobicContact CG2-CG2 4.29Å; T102-V105 WeakPolarHBondContact O-CG1 3.39Å; T102-R113 HydrophobicContact CG2-CB 3.64Å; T102-R113 HydrophobicContact CG2-CG 3.83Å; T102-T114 WeakPolarHBondContact CA-O 3.49Å; T102-R115 HydrophobicContact CG2-CG 4.37Å
103	V	88.1	Confident	77.7	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	22%	0.221	C	C	.	.			trans	-101.5	162.2	180	-55	0	0	0	0	111.6	V42 L62 V101 V105 T114 I144	V42-V103 HydrophobicContact CG1-CB 4.37Å; V42-V103 HydrophobicContact CG1-CG1 3.88Å; L62-V103 HydrophobicContact CD2-CG1 4.47Å; V101-V103 HydrophobicContact CG1-CG1 4.29Å; V103-V105 PolarHBondContact O-N 3.21Å; V103-T114 HydrophobicContact CG2-CG2 3.61Å; V103-T114 PolarHBondContact N-O 2.83Å; V103-I144 HydrophobicContact CG1-CD1 4.1Å; V103-I144 HydrophobicContact CG1-CG1 4.18Å; V103-I144 HydrophobicContact CG2-CD1 4.24Å; V103-I144 HydrophobicContact CG2-CG2 4.42Å
104	A	78.5	Confident	77.5	Confident	8 Å²	8	35.5 Å²	35.5	7%	0.066	20%	0.201	C	C	.	.	S	Bend	trans	56.4	19	-179.2	0	0	0	0	0	115.2	H106 T150	A104-H106 PolarHBondContact O-N 2.87Å; A104-T150 HydrophobicContact CB-CG2 3.95Å
105	V	76.8	Confident	77.5	Confident	8 Å²	8	39.1 Å²	39.1	5%	0.048	21%	0.213	C	C	.	.			trans	-80.4	116.7	-167.5	55.6	0	0	0	0	112.7	H43 T102 V103	H43-V105 HydrophobicContact CB-CG1 3.75Å; T102-V105 HydrophobicContact CG2-CB 4.01Å; T102-V105 HydrophobicContact CG2-CG2 4.29Å; T102-V105 WeakPolarHBondContact O-CG1 3.39Å; V103-V105 PolarHBondContact O-N 3.21Å
106	H	74.2	Confident	77.7	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.019	20%	0.195	C	C	.	.	S	Bend	trans	-96.3	-48.9	161	-168.5	63.9	0	0	0	111.1	E32 V33 R35 A104 H173 E186 L187	E32-H106 IonicContact OE1-CE1 3.49Å; E32-H106 IonicContact OE1-NE2 2.78Å; E32-H106 PolarHBondContact OE1-NE2 2.75Å; V33-H106 PolarHBondContact O-CE1 3.39Å; R35-H106 HydrophobicContact CG-CB 4.08Å; A104-H106 PolarHBondContact O-N 2.87Å; H106-H173 PolarHBondContact O-NE2 3.36Å; H106-E186 CarbonylContact O-C 3.33Å; H106-E186 WeakPolarHBondContact O-CA 3.45Å; H106-L187 PolarHBondContact O-N 2.86Å
107	M	70.4	Confident	77.8	Confident	43 Å²	43	39.9 Å²	39.9	21%	0.212	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-104.9	124	-179.8	-80.3	173.3	158.6	0	0	111.9	R35 N109 E110 E185 E186	R35-M107 VanDerWaalsContact NH2-CE 3.26Å; R35-M107 PolarHBondContact NH2-SD 2.98Å; M107-N109 VanDerWaalsContact C-N 3.3Å; M107-N109 PolarHBondContact O-N 3.22Å; M107-E110 HydrophobicContact CB-CB 3.97Å; M107-E110 WeakPolarHBondContact O-CB 3.49Å; M107-E110 PolarHBondContact O-N 3.24Å; M107-E185 CarbonylContact C-O 3.52Å; M107-E185 VanDerWaalsContact CA-O 3.27Å; M107-E185 WeakPolarHBondContact CA-O 3.03Å; M107-E186 HydrophobicContact CE-CG 3.87Å; M107-E186 HydrophobicContact CG-CG 4.42Å
108	R	71.1	Confident	78.2	Confident	49 Å²	49	36.2 Å²	36.2	19%	0.185	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-30.8	-177.8	-74.9	-173.7	-67	139.4	20.6	114	H173 S183 P184 E185	R108-H173 VanDerWaalsContact CD-CB 3.44Å; R108-H173 HydrophobicContact CG-CB 3.98Å; R108-S183 VanDerWaalsContact CZ-CB 3.43Å; R108-S183 VanDerWaalsContact NH1-CB 3.32Å; R108-S183 VanDerWaalsContact NH2-C 3.28Å; R108-S183 VanDerWaalsContact NH2-CB 3.3Å; R108-S183 PolarHBondContact NH2-O 3.26Å; R108-P184 PolarHBondContact NE-O 3.29Å; R108-P184 PolarHBondContact NH2-O 2.97Å; R108-E185 PolarHBondContact N-O 3.25Å
109	N	65.5	Low	78.7	Confident	79 Å²	79	39.4 Å²	39.4	42%	0.422	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.2	-179.2	61.5	-9.5	0	0	0	113.4	M107 R113 E185	M107-N109 VanDerWaalsContact C-N 3.3Å; M107-N109 PolarHBondContact O-N 3.22Å; N109-R113 PolarHBondContact O-NH1 3.25Å; N109-E185 PolarHBondContact ND2-OE1 3.33Å; N109-E185 PolarHBondContact ND2-OE2 3.46Å
110	E	64	Low	79	Confident	24 Å²	24	40.1 Å²	40.1	11%	0.112	19%	0.187	C	C	.	.			trans	-55	119.7	-176.1	-158.2	146.2	-129.3	0	0	110.2	R35 M107 D112 R113	R35-E110 IonicContact NH1-OE1 2.7Å; R35-E110 PolarHBondContact NH1-OE1 2.93Å; M107-E110 HydrophobicContact CB-CB 3.97Å; M107-E110 WeakPolarHBondContact O-CB 3.49Å; M107-E110 PolarHBondContact O-N 3.24Å; E110-D112 PolarHBondContact O-N 3.18Å; E110-R113 WeakPolarHBondContact O-CB 3.39Å; E110-R113 VanDerWaalsContact O-CD 3.23Å; E110-R113 WeakPolarHBondContact O-CD 3.39Å; E110-R113 VanDerWaalsContact O-CG 3.26Å; E110-R113 WeakPolarHBondContact O-CG 3.46Å; E110-R113 PolarHBondContact O-N 2.93Å; E110-R113 PolarHBondContact O-NH1 2.88Å
111	P	51.9	Low	79.3	Confident	102 Å²	102	39.3 Å²	39.3	66%	0.662	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-38.6	-164.3	23.5	-33.2	0	0	0	112.8	R113	P111-R113 VanDerWaalsContact C-N 3.32Å; P111-R113 PolarHBondContact O-N 3.2Å
112	D	57.3	Low	79.5	Confident	61 Å²	61	43 Å²	43	33%	0.326	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	9.1	-174.6	-65	-56.8	0	0	0	114.5	E110 T114 H296 I301	E110-D112 PolarHBondContact O-N 3.18Å; D112-T114 PolarHBondContact O-N 3.13Å; D112-H296 PolarHBondContact O-ND1 2.8Å; D112-I301 WeakPolarHBondContact OD2-CG1 3.34Å
113	R	70.8	Confident	79.7	Confident	60 Å²	60	45 Å²	45	23%	0.226	21%	0.207	C	C	.	.			trans	-51.7	133.3	-179.1	67.5	-168.3	167.3	-101.4	-9	112.8	T102 N109 E110 P111 R115	T102-R113 HydrophobicContact CG2-CB 3.64Å; T102-R113 HydrophobicContact CG2-CG 3.83Å; N109-R113 PolarHBondContact O-NH1 3.25Å; E110-R113 WeakPolarHBondContact O-CB 3.39Å; E110-R113 VanDerWaalsContact O-CD 3.23Å; E110-R113 WeakPolarHBondContact O-CD 3.39Å; E110-R113 VanDerWaalsContact O-CG 3.26Å; E110-R113 WeakPolarHBondContact O-CG 3.46Å; E110-R113 PolarHBondContact O-N 2.93Å; E110-R113 PolarHBondContact O-NH1 2.88Å; P111-R113 VanDerWaalsContact C-N 3.32Å; P111-R113 PolarHBondContact O-N 3.2Å; R113-R115 HydrophobicContact CG-CG 4.34Å; R113-R115 VanDerWaalsContact NE-NE 3.19Å; R113-R115 PolarHBondContact O-N 2.85Å; R113-R115 VanDerWaalsContact O-N 3.1Å
114	T	80.6	Confident	79.7	Confident	9 Å²	9	45.4 Å²	45.4	6%	0.055	21%	0.211	C	C	.	.			trans	-73.4	107.6	178	-60.9	0	0	0	0	111.1	T102 V103 D112 V116 M290 D294 V295 H296	T102-T114 WeakPolarHBondContact CA-O 3.49Å; V103-T114 HydrophobicContact CG2-CG2 3.61Å; V103-T114 PolarHBondContact N-O 2.83Å; D112-T114 PolarHBondContact O-N 3.13Å; T114-V116 HydrophobicContact CG2-CG2 4.11Å; T114-M290 HydrophobicContact CG2-CE 3.72Å; T114-M290 HydrophobicContact CG2-SD 3.41Å; T114-M290 WeakPolarHBondContact CG2-SD 3.39Å; T114-D294 PolarHBondContact OG1-O 3.29Å; T114-V295 WeakPolarHBondContact OG1-CA 3.38Å; T114-H296 WeakPolarHBondContact OG1-CB 3.38Å; T114-H296 PolarHBondContact OG1-N 2.92Å
115	R	83.8	Confident	80.2	Confident	112 Å²	112	46.9 Å²	46.9	42%	0.423	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.7	172.9	-77.7	175.9	164	-175	-2.7	110.6	V100 V101 T102 R113	V100-R115 HydrophobicContact CG1-CB 3.74Å; V100-R115 HydrophobicContact CG1-CG 3.77Å; V101-R115 CarbonylContact O-C 3.56Å; V101-R115 WeakPolarHBondContact O-CA 3.43Å; T102-R115 HydrophobicContact CG2-CG 4.37Å; R113-R115 HydrophobicContact CG-CG 4.34Å; R113-R115 VanDerWaalsContact NE-NE 3.19Å; R113-R115 PolarHBondContact O-N 2.85Å; R113-R115 VanDerWaalsContact O-N 3.1Å
116	V	88.6	Confident	80.5	Confident	7 Å²	7	47 Å²	47	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.6	174.9	-166.2	0	0	0	0	108.4	V101 T114 L140 E141 K142 I144 M290	V101-V116 PolarHBondContact N-O 3.02Å; V101-V116 PolarHBondContact O-N 2.99Å; T114-V116 HydrophobicContact CG2-CG2 4.11Å; V116-L140 HydrophobicContact CB-CD2 4.44Å; V116-L140 HydrophobicContact CG1-CB 3.93Å; V116-L140 HydrophobicContact CG1-CD2 4.49Å; V116-E141 HydrophobicContact CG1-CB 4.43Å; V116-K142 HydrophobicContact CG1-CB 4.38Å; V116-I144 HydrophobicContact CG2-CD1 3.73Å; V116-M290 HydrophobicContact CG2-CE 3.58Å
117	R	90.7	Very high	80.9	Confident	137 Å²	137	50.9 Å²	50.9	52%	0.517	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	161.5	174.2	-81.5	-173	-60.2	-110.6	-9.7	110.9	V100 L140 E141	V100-R117 HydrophobicContact CG2-CG 4.44Å; R117-L140 WeakPolarHBondContact O-CA 3.45Å; R117-E141 HydrophobicContact CB-CG 3.94Å; R117-E141 VanDerWaalsContact CB-OE1 3.28Å; R117-E141 WeakPolarHBondContact CB-OE1 3.35Å; R117-E141 IonicContact CZ-OE1 3.83Å; R117-E141 IonicContact CZ-OE2 3.3Å; R117-E141 IonicContact NE-OE1 2.88Å; R117-E141 PolarHBondContact NE-OE1 3.45Å; R117-E141 IonicContact NE-OE2 2.73Å; R117-E141 PolarHBondContact NE-OE2 2.71Å; R117-E141 VanDerWaalsContact NE-OE2 3.17Å; R117-E141 IonicContact NH2-OE1 3.78Å; R117-E141 IonicContact NH2-OE2 3.3Å; R117-E141 PolarHBondContact NH2-OE2 2.77Å; R117-E141 PolarHBondContact O-N 2.81Å
118	V	92.7	Very high	81	Confident	5 Å²	5	53 Å²	53	3%	0.03	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134	173.6	179.7	0	0	0	0	108.9	I96 I99 V101 D120 L121 L138 R139	I96-V118 HydrophobicContact CG2-CB 3.93Å; I96-V118 HydrophobicContact CG2-CG1 4.01Å; I96-V118 WeakPolarHBondContact CG2-O 3.37Å; I99-V118 HydrophobicContact CB-CG2 4.07Å; I99-V118 HydrophobicContact CG2-CG2 3.64Å; V101-V118 HydrophobicContact CG2-CG2 4.11Å; V118-D120 WeakPolarHBondContact CG1-O 3.18Å; V118-L121 HydrophobicContact CG1-CB 4.27Å; V118-L121 HydrophobicContact CG1-CD2 4.32Å; V118-L138 HydrophobicContact CG1-CB 4.09Å; V118-L138 HydrophobicContact CG2-CB 4.19Å; V118-L138 HydrophobicContact CG2-CD1 4.08Å; V118-R139 CarbonylContact C-O 3.46Å; V118-R139 WeakPolarHBondContact CA-O 3.4Å; V118-R139 WeakPolarHBondContact CG1-O 3.15Å
119	R	93.5	Very high	80.8	Confident	97 Å²	97	57 Å²	57	37%	0.366	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-48.3	173.8	-179.1	-179	179.7	103.1	-2.6	111	R139 E141 P285 T286	R119-R139 PolarHBondContact N-O 3.47Å; R119-E141 HydrophobicContact CB-CG 4.41Å; R119-P285 PolarHBondContact NE-O 3.4Å; R119-P285 PolarHBondContact NH2-O 3Å; R119-T286 WeakPolarHBondContact CD-OG1 3.15Å
120	D	94.6	Very high	80.8	Confident	15 Å²	15	56 Å²	56	8%	0.08	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	159.4	-178.4	-163.9	7.7	0	0	0	110.1	V118 R122 R139 M283 D284	V118-D120 WeakPolarHBondContact CG1-O 3.18Å; D120-R122 VanDerWaalsContact CG-NH1 3.26Å; D120-R122 IonicContact OD1-CZ 3.55Å; D120-R122 IonicContact OD1-NH1 3.5Å; D120-R122 PolarHBondContact OD1-NH1 3.12Å; D120-R122 IonicContact OD1-NH2 3.8Å; D120-R122 IonicContact OD2-CZ 3.77Å; D120-R122 VanDerWaalsContact OD2-CZ 3.31Å; D120-R122 IonicContact OD2-NH1 3.64Å; D120-R122 PolarHBondContact OD2-NH1 3.38Å; D120-R122 IonicContact OD2-NH2 2.67Å; D120-R122 PolarHBondContact OD2-NH2 2.71Å; D120-R139 PolarHBondContact N-O 2.03Å; D120-R139 PolarHBondContact O-N 2.76Å; D120-M283 HydrophobicContact CB-CB 4.27Å; D120-M283 HydrophobicContact CB-CG 4.32Å; D120-M283 WeakPolarHBondContact OD2-CA 3.25Å; D120-M283 WeakPolarHBondContact OD2-CB 3.45Å; D120-D284 HydrophobicContact CB-CB 4.37Å; D120-D284 PolarHBondContact OD2-N 2.92Å
121	L	94.2	Very high	81.2	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.4	179.5	55	73.8	0	0	0	113.2	I81 M93 I96 I99 V118 V137 L138	I81-L121 HydrophobicContact CD1-CB 4.44Å; I81-L121 HydrophobicContact CD1-CD1 4.05Å; I81-L121 HydrophobicContact CD1-CD2 4.01Å; I81-L121 HydrophobicContact CD1-CG 4.41Å; M93-L121 HydrophobicContact CE-CD1 4.3Å; M93-L121 HydrophobicContact CG-CD1 4.38Å; M93-L121 HydrophobicContact SD-CD1 3.33Å; M93-L121 WeakPolarHBondContact SD-CD1 3.19Å; I96-L121 HydrophobicContact CD1-CG 4.23Å; I96-L121 HydrophobicContact CG1-CD2 3.98Å; I96-L121 HydrophobicContact CG1-CG 4.06Å; I99-L121 HydrophobicContact CD1-CD2 3.52Å; V118-L121 HydrophobicContact CG1-CB 4.27Å; V118-L121 HydrophobicContact CG1-CD2 4.32Å; L121-V137 WeakPolarHBondContact CA-O 3.24Å; L121-L138 HydrophobicContact CB-CD2 3.59Å; L121-L138 HydrophobicContact CD2-CD2 3.97Å; L121-L138 HydrophobicContact CG-CD2 4.44Å
122	R	94	Very high	82.7	Confident	78 Å²	78	51.9 Å²	51.9	29%	0.294	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136.7	174.5	-61.1	-70.6	177.6	-86.8	-10.1	109.7	D120 A136 V137 W275 A279 V282 M283	D120-R122 VanDerWaalsContact CG-NH1 3.26Å; D120-R122 IonicContact OD1-CZ 3.55Å; D120-R122 IonicContact OD1-NH1 3.5Å; D120-R122 PolarHBondContact OD1-NH1 3.12Å; D120-R122 IonicContact OD1-NH2 3.8Å; D120-R122 IonicContact OD2-CZ 3.77Å; D120-R122 VanDerWaalsContact OD2-CZ 3.31Å; D120-R122 IonicContact OD2-NH1 3.64Å; D120-R122 PolarHBondContact OD2-NH1 3.38Å; D120-R122 IonicContact OD2-NH2 2.67Å; D120-R122 PolarHBondContact OD2-NH2 2.71Å; R122-A136 CarbonylContact O-C 3.38Å; R122-A136 VanDerWaalsContact O-CA 3.27Å; R122-A136 WeakPolarHBondContact O-CA 3.31Å; R122-V137 PolarHBondContact N-O 3.35Å; R122-V137 PolarHBondContact O-N 3.48Å; R122-W275 HydrophobicContact CB-CZ2 4.24Å; R122-A279 HydrophobicContact CB-CB 4.2Å; R122-A279 HydrophobicContact CG-CB 4.33Å; R122-V282 PolarHBondContact NH2-O 2.88Å; R122-M283 HydrophobicContact CG-CG 3.69Å; R122-M283 HydrophobicContact CG-SD 4.15Å
123	D	91.9	Very high	84.2	Confident	42 Å²	42	55.7 Å²	55.7	23%	0.225	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	160.1	171.1	85.3	-76.1	0	0	0	111.8	A78 V82 G125 Y126 I135 A136 W275	A78-D123 HydrophobicContact CB-CB 4.19Å; V82-D123 HydrophobicContact CG2-CB 4.18Å; D123-G125 PolarHBondContact O-N 3.26Å; D123-G125 VanDerWaalsContact OD2-CA 3.26Å; D123-G125 WeakPolarHBondContact OD2-CA 3.33Å; D123-G125 PolarHBondContact OD2-N 3.09Å; D123-Y126 PolarHBondContact OD2-N 3.47Å; D123-I135 CarbonylContact C-O 3.53Å; D123-I135 WeakPolarHBondContact CA-O 3.46Å; D123-A136 HydrophobicContact CB-CB 4.47Å; D123-W275 VanDerWaalsContact O-CZ2 3.27Å; D123-W275 WeakPolarHBondContact O-CZ2 3.41Å
124	G	89.7	Confident	85.1	Confident	10 Å²	10	52.8 Å²	52.8	10%	0.103	26%	0.255	C	S	.	.			trans	-72.3	1.1	-177.9	0	0	0	0	0	115.6	R133 I135	G124-R133 WeakPolarHBondContact O-CD 3.34Å; G124-I135 PolarHBondContact N-O 2.83Å
125	G	87.1	Confident	85.8	Confident	39 Å²	39	52.4 Å²	52.4	40%	0.402	25%	0.252	S	S	.	.			trans	88.6	51.2	-168.6	0	0	0	0	0	111.7	D123 A127	D123-G125 PolarHBondContact O-N 3.26Å; D123-G125 VanDerWaalsContact OD2-CA 3.26Å; D123-G125 WeakPolarHBondContact OD2-CA 3.33Å; D123-G125 PolarHBondContact OD2-N 3.09Å; G125-A127 PolarHBondContact O-N 2.85Å
126	Y	84.9	Confident	86.3	Confident	11 Å²	11	47 Å²	47	4%	0.043	23%	0.232	C	C	.	.			trans	-77	107.6	-177.6	-176.7	-117.1	0	0	0	111.6	A78 H79 M91 D123 K128 E129 F130 D134	A78-Y126 VanDerWaalsContact CB-CB 3.49Å; A78-Y126 HydrophobicContact CB-CD1 4.07Å; A78-Y126 HydrophobicContact CB-CD2 4.48Å; A78-Y126 HydrophobicContact CB-CG 3.79Å; H79-Y126 HydrophobicContact CB-CE1 3.66Å; M91-Y126 HydrophobicContact CE-CD1 4.07Å; M91-Y126 HydrophobicContact CE-CE1 3.97Å; D123-Y126 PolarHBondContact OD2-N 3.47Å; Y126-K128 WeakPolarHBondContact CE2-O 2.96Å; Y126-K128 PolarHBondContact OH-O 2.91Å; Y126-E129 WeakPolarHBondContact OH-CA 2.97Å; Y126-F130 PolarHBondContact OH-N 3.26Å; Y126-F130 VanDerWaalsContact OH-N 3.08Å; Y126-D134 HydrophobicContact CD2-CB 3.8Å; Y126-D134 HydrophobicContact CE2-CB 3.63Å
127	A	80.9	Confident	86.7	Confident	84 Å²	84	46.8 Å²	46.8	69%	0.694	23%	0.23	S	C	*	.			trans	-98.9	-25.8	-166.3	0	0	0	0	0	115.7	G125	G125-A127 PolarHBondContact O-N 2.85Å
128	K	74.3	Confident	86.9	Confident	89 Å²	89	40.2 Å²	40.2	39%	0.387	21%	0.206	S	C	.	.	S	Bend	trans	-146.8	151.4	-178.3	69.3	175.9	-174.7	-178.5	0	110.8	Y126 F130 G131 D211	Y126-K128 WeakPolarHBondContact CE2-O 2.96Å; Y126-K128 PolarHBondContact OH-O 2.91Å; K128-F130 PolarHBondContact O-N 3.46Å; K128-G131 PolarHBondContact O-N 3.02Å; K128-D211 IonicContact NZ-OD1 3.58Å; K128-D211 PolarHBondContact NZ-OD1 2.87Å
129	E	64.9	Low	87.1	Confident	131 Å²	131	40.6 Å²	40.6	61%	0.612	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	134.9	171.5	-153.5	178	-173.2	0	0	110.2	Y126 G131	Y126-E129 WeakPolarHBondContact OH-CA 2.97Å; E129-G131 PolarHBondContact O-N 3.47Å
130	F	67.3	Low	87.2	Confident	58 Å²	58	36 Å²	36	25%	0.254	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	8.9	-173.9	-38.9	-65.4	0	0	0	115.5	Y126 K128 F252 D256 L257	Y126-F130 PolarHBondContact OH-N 3.26Å; Y126-F130 VanDerWaalsContact OH-N 3.08Å; K128-F130 PolarHBondContact O-N 3.46Å; F130-F252 HydrophobicContact CB-CD1 4.07Å; F130-F252 HydrophobicContact CB-CE1 3.96Å; F130-F252 HydrophobicContact CB-CE2 4.47Å; F130-F252 HydrophobicContact CB-CG 4.38Å; F130-F252 HydrophobicContact CB-CZ 4.16Å; F130-F252 HydrophobicContact CD1-CB 3.66Å; F130-F252 HydrophobicContact CD1-CD1 4.01Å; F130-F252 HydrophobicContact CD1-CD2 4.18Å; F130-F252 AromaticContact CD1-CG 3.71Å; F130-F252 HydrophobicContact CD1-CG 3.71Å; F130-F252 HydrophobicContact CE1-CB 4.1Å; F130-F252 VanDerWaalsContact O-CE1 3.3Å; F130-F252 WeakPolarHBondContact O-CE1 3.4Å; F130-D256 HydrophobicContact CD1-CB 4.3Å; F130-D256 HydrophobicContact CE1-CB 3.46Å; F130-D256 VanDerWaalsContact CE1-CB 3.46Å; F130-D256 HydrophobicContact CZ-CB 3.86Å; F130-L257 HydrophobicContact CD2-CD2 4.43Å
131	G	72.2	Confident	87.1	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.01	20%	0.201	C	C	.	.			trans	-71.8	169.6	177.6	0	0	0	0	0	114.1	K128 E129 Q217	K128-G131 PolarHBondContact O-N 3.02Å; E129-G131 PolarHBondContact O-N 3.47Å; G131-Q217 PolarHBondContact O-NE2 3.32Å
132	P	82.8	Confident	87.1	Confident	40 Å²	40	41.8 Å²	41.8	26%	0.26	21%	0.214	S	C	.	.	S	Bend	trans	-66	172.9	165.9	31.9	-36.5	0	0	0	111.1	D134 D213	P132-D134 VanDerWaalsContact C-N 3.26Å; P132-D134 PolarHBondContact O-N 2.79Å; P132-D213 HydrophobicContact CB-CB 3.98Å; P132-D213 HydrophobicContact CG-CB 4.45Å
133	R	88.4	Confident	87.1	Confident	140 Å²	140	41.2 Å²	41.2	53%	0.528	21%	0.214	S	C	.	.			trans	64.4	24.5	-178.5	-51.1	174.7	174.7	-155.9	1.1	114.7	G124 I135 Y272	G124-R133 WeakPolarHBondContact O-CD 3.34Å; R133-I135 PolarHBondContact O-N 3.18Å; R133-Y272 VanDerWaalsContact CA-OH 3.32Å; R133-Y272 WeakPolarHBondContact CA-OH 3.08Å; R133-Y272 HydrophobicContact CG-CE1 4.31Å; R133-Y272 PolarHBondContact N-OH 3.24Å
134	D	90.7	Very high	87.1	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.			trans	-74.4	74.6	172	-172	23.1	0	0	0	111.3	A78 H79 Y126 P132 S251 T267	A78-D134 WeakPolarHBondContact CA-OD1 3.43Å; A78-D134 WeakPolarHBondContact CB-OD1 3.46Å; A78-D134 PolarHBondContact N-OD1 2.77Å; H79-D134 IonicContact CE1-OD2 3.58Å; H79-D134 IonicContact CG-OD1 2.93Å; H79-D134 IonicContact CG-OD2 3.68Å; H79-D134 PolarHBondContact N-OD1 3.02Å; H79-D134 IonicContact ND1-OD1 3.52Å; H79-D134 PolarHBondContact ND1-OD1 2.99Å; H79-D134 IonicContact ND1-OD2 2.74Å; H79-D134 PolarHBondContact ND1-OD2 2.86Å; Y126-D134 HydrophobicContact CD2-CB 3.8Å; Y126-D134 HydrophobicContact CE2-CB 3.63Å; P132-D134 VanDerWaalsContact C-N 3.26Å; P132-D134 PolarHBondContact O-N 2.79Å; D134-S251 WeakPolarHBondContact CB-OG 3.39Å; D134-S251 WeakPolarHBondContact OD2-CA 3.38Å; D134-S251 VanDerWaalsContact OD2-CB 3.29Å; D134-S251 WeakPolarHBondContact OD2-CB 3.39Å; D134-S251 PolarHBondContact OD2-OG 2.78Å; D134-T267 WeakPolarHBondContact O-CB 3.24Å; D134-T267 PolarHBondContact O-OG1 3.12Å
135	I	94	Very high	87.1	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.			trans	-149	139.1	-177.5	-173.6	170	0	0	0	110.1	L75 D123 G124 R133 I249 T267 Y272 W275 I276	L75-I135 HydrophobicContact CD1-CD1 4.03Å; L75-I135 HydrophobicContact CD1-CG1 3.89Å; D123-I135 CarbonylContact C-O 3.53Å; D123-I135 WeakPolarHBondContact CA-O 3.46Å; G124-I135 PolarHBondContact N-O 2.83Å; R133-I135 PolarHBondContact O-N 3.18Å; I135-I249 HydrophobicContact CB-CD1 4.28Å; I135-I249 HydrophobicContact CD1-CD1 3.85Å; I135-I249 HydrophobicContact CG1-CD1 3.6Å; I135-T267 HydrophobicContact CB-CG2 4.14Å; I135-Y272 HydrophobicContact CD1-CD1 4.3Å; I135-Y272 HydrophobicContact CD1-CD2 4.19Å; I135-Y272 HydrophobicContact CD1-CG 3.77Å; I135-Y272 HydrophobicContact CG2-CD1 3.79Å; I135-Y272 HydrophobicContact CG2-CE1 3.88Å; I135-Y272 HydrophobicContact CG2-CG 4.25Å; I135-W275 HydrophobicContact CB-CZ3 4.46Å; I135-W275 HydrophobicContact CD1-CE3 4.17Å; I135-W275 HydrophobicContact CD1-CZ3 3.87Å; I135-W275 HydrophobicContact CG1-CH2 4.45Å; I135-W275 HydrophobicContact CG1-CZ3 3.76Å; I135-W275 HydrophobicContact CG2-CE3 4.32Å; I135-W275 HydrophobicContact CG2-CH2 4.33Å; I135-W275 HydrophobicContact CG2-CZ3 3.98Å; I135-I276 HydrophobicContact CD1-CD1 4.29Å; I135-I276 HydrophobicContact CD1-CG1 4.45Å
136	A	95.2	Very high	87.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	145	173.8	0	0	0	0	0	111.7	T76 I81 R122 D123	T76-A136 HydrophobicContact CG2-CB 4.19Å; T76-A136 PolarHBondContact N-O 2.82Å; T76-A136 PolarHBondContact O-N 2.78Å; I81-A136 HydrophobicContact CD1-CB 3.52Å; I81-A136 HydrophobicContact CG1-CB 3.97Å; R122-A136 CarbonylContact O-C 3.38Å; R122-A136 VanDerWaalsContact O-CA 3.27Å; R122-A136 WeakPolarHBondContact O-CA 3.31Å; D123-A136 HydrophobicContact CB-CB 4.47Å
137	V	96.3	Very high	87.2	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.9	169	-173.2	0	0	0	0	108	L73 V74 L75 L121 R122 W275 I276 M283	L73-V137 HydrophobicContact CD2-CG1 4.15Å; V74-V137 WeakPolarHBondContact O-CA 3.4Å; L75-V137 HydrophobicContact CD1-CG2 3.96Å; L121-V137 WeakPolarHBondContact CA-O 3.24Å; R122-V137 PolarHBondContact N-O 3.35Å; R122-V137 PolarHBondContact O-N 3.48Å; V137-W275 HydrophobicContact CG2-CH2 3.87Å; V137-W275 HydrophobicContact CG2-CZ3 3.73Å; V137-I276 HydrophobicContact CG2-CG1 4.24Å; V137-I276 HydrophobicContact CG2-CG2 4.39Å; V137-M283 HydrophobicContact CB-CE 4.32Å; V137-M283 HydrophobicContact CG1-CE 3.71Å
138	L	96	Very high	86.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.1	171.3	-40.1	178	0	0	0	108.2	I44 V74 T76 I81 I99 V101 V118 L121	I44-L138 HydrophobicContact CD1-CD1 3.96Å; V74-L138 HydrophobicContact CB-CB 4.26Å; V74-L138 HydrophobicContact CG1-CD1 4.4Å; V74-L138 PolarHBondContact N-O 3.02Å; V74-L138 PolarHBondContact O-N 3.47Å; T76-L138 HydrophobicContact CG2-CD1 4.2Å; T76-L138 HydrophobicContact CG2-CD2 4.48Å; T76-L138 HydrophobicContact CG2-CG 4.19Å; I81-L138 HydrophobicContact CD1-CD2 3.97Å; I81-L138 HydrophobicContact CG2-CD2 4.08Å; I99-L138 HydrophobicContact CG2-CD1 4.39Å; V101-L138 HydrophobicContact CG2-CD1 4.23Å; V118-L138 HydrophobicContact CG1-CB 4.09Å; V118-L138 HydrophobicContact CG2-CB 4.19Å; V118-L138 HydrophobicContact CG2-CD1 4.08Å; L121-L138 HydrophobicContact CB-CD2 3.59Å; L121-L138 HydrophobicContact CD2-CD2 3.97Å; L121-L138 HydrophobicContact CG-CD2 4.44Å
139	R	96.1	Very high	87.1	Confident	13 Å²	13	35.5 Å²	35.5	5%	0.049	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.4	166.3	-173.9	175.4	-84.9	152.6	-0.1	110.3	D72 L73 V118 R119 D120 D280 M283 D284	D72-R139 HydrophobicContact CB-CG 3.88Å; D72-R139 CarbonylContact O-C 3.55Å; D72-R139 WeakPolarHBondContact O-CA 3.27Å; D72-R139 IonicContact OD1-NE 2.8Å; D72-R139 IonicContact OD2-NE 2.62Å; L73-R139 HydrophobicContact CD2-CB 4.4Å; L73-R139 HydrophobicContact CD2-CG 4.47Å; V118-R139 CarbonylContact C-O 3.46Å; V118-R139 WeakPolarHBondContact CA-O 3.4Å; V118-R139 WeakPolarHBondContact CG1-O 3.15Å; R119-R139 PolarHBondContact N-O 3.47Å; D120-R139 PolarHBondContact N-O 2.03Å; D120-R139 PolarHBondContact O-N 2.76Å; R139-D280 IonicContact CZ-OD1 2.71Å; R139-D280 PolarHBondContact NH2-O 2.76Å; R139-D280 IonicContact NH2-OD1 2.62Å; R139-D280 PolarHBondContact NH2-OD1 3.02Å; R139-M283 HydrophobicContact CB-CE 4.24Å; R139-M283 HydrophobicContact CB-SD 4.06Å; R139-M283 VanDerWaalsContact NH1-CB 3.35Å; R139-M283 PolarHBondContact NH1-O 2.87Å; R139-D284 WeakPolarHBondContact CD-O 3.16Å; R139-D284 PolarHBondContact NH1-O 2.79Å
140	L	95.5	Very high	88.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	149.4	-176.6	-61.1	177.9	0	0	0	112.6	D72 V74 V101 V116 R117 K142 I144 T286	D72-L140 HydrophobicContact CB-CB 4.48Å; D72-L140 WeakPolarHBondContact O-CG 3.25Å; D72-L140 PolarHBondContact O-N 2.84Å; V74-L140 HydrophobicContact CG2-CD1 4.02Å; V74-L140 HydrophobicContact CG2-CD2 4.17Å; V74-L140 HydrophobicContact CG2-CG 4.14Å; V101-L140 HydrophobicContact CB-CD2 3.81Å; V101-L140 HydrophobicContact CG1-CD2 4.3Å; V101-L140 HydrophobicContact CG2-CD2 3.71Å; V116-L140 HydrophobicContact CB-CD2 4.44Å; V116-L140 HydrophobicContact CG1-CB 3.93Å; V116-L140 HydrophobicContact CG1-CD2 4.49Å; R117-L140 WeakPolarHBondContact O-CA 3.45Å; L140-K142 WeakPolarHBondContact CB-O 3.1Å; L140-K142 PolarHBondContact O-N 2.76Å; L140-K142 VanDerWaalsContact O-N 3.14Å; L140-I144 HydrophobicContact CD1-CD1 3.98Å; L140-I144 HydrophobicContact CD1-CG1 3.72Å; L140-T286 WeakPolarHBondContact O-CG2 3.36Å; L140-T286 PolarHBondContact O-OG1 2.81Å
141	E	93.4	Very high	89.3	Confident	69 Å²	69	28.2 Å²	28.2	32%	0.322	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	-25.5	174.7	-80.8	-176.3	-172	0	0	113.5	V116 R117 R119 T286	V116-E141 HydrophobicContact CG1-CB 4.43Å; R117-E141 HydrophobicContact CB-CG 3.94Å; R117-E141 VanDerWaalsContact CB-OE1 3.28Å; R117-E141 WeakPolarHBondContact CB-OE1 3.35Å; R117-E141 IonicContact CZ-OE1 3.83Å; R117-E141 IonicContact CZ-OE2 3.3Å; R117-E141 IonicContact NE-OE1 2.88Å; R117-E141 PolarHBondContact NE-OE1 3.45Å; R117-E141 IonicContact NE-OE2 2.73Å; R117-E141 PolarHBondContact NE-OE2 2.71Å; R117-E141 VanDerWaalsContact NE-OE2 3.17Å; R117-E141 IonicContact NH2-OE1 3.78Å; R117-E141 IonicContact NH2-OE2 3.3Å; R117-E141 PolarHBondContact NH2-OE2 2.77Å; R117-E141 PolarHBondContact O-N 2.81Å; R119-E141 HydrophobicContact CB-CG 4.41Å; E141-T286 VanDerWaalsContact O-CG2 3.3Å; E141-T286 WeakPolarHBondContact O-CG2 3.48Å
142	K	93.1	Very high	90.3	Very high	72 Å²	72	28.2 Å²	28.2	31%	0.313	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.9	176.7	-58.6	-168	179.2	-143.2	0	110.5	V116 L140 E288 M290	V116-K142 HydrophobicContact CG1-CB 4.38Å; L140-K142 WeakPolarHBondContact CB-O 3.1Å; L140-K142 PolarHBondContact O-N 2.76Å; L140-K142 VanDerWaalsContact O-N 3.14Å; K142-E288 WeakPolarHBondContact CE-OE2 3.49Å; K142-E288 HydrophobicContact CG-CB 4.22Å; K142-E288 IonicContact NZ-OE2 3.8Å; K142-E288 PolarHBondContact NZ-OE2 2.62Å; K142-M290 HydrophobicContact CB-CB 4.2Å
143	K	93.6	Very high	90.9	Very high	66 Å²	66	26.3 Å²	26.3	29%	0.287	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.3	171.5	-74.1	170.3	175.8	167.6	0	110	A70 T71 D72 P145 T286 E288 I289 M290	A70-K143 HydrophobicContact CB-CB 4.03Å; T71-K143 CarbonylContact O-C 3.6Å; T71-K143 WeakPolarHBondContact O-CA 3.31Å; D72-K143 HydrophobicContact CB-CG 3.67Å; D72-K143 WeakPolarHBondContact OD2-CE 3.33Å; D72-K143 IonicContact OD2-NZ 2.68Å; K143-P145 WeakPolarHBondContact O-CD 3.28Å; K143-T286 WeakPolarHBondContact CE-O 3.35Å; K143-T286 HydrophobicContact CG-CG2 4.16Å; K143-T286 PolarHBondContact NZ-O 3.16Å; K143-E288 PolarHBondContact N-O 2.96Å; K143-I289 HydrophobicContact CB-CB 4.46Å; K143-I289 HydrophobicContact CB-CG1 4.01Å; K143-I289 HydrophobicContact CD-CG1 4.24Å; K143-M290 WeakPolarHBondContact O-CB 3.47Å; K143-M290 PolarHBondContact O-N 3.42Å
144	I	92.1	Very high	91.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.2	175.7	-48.2	-57.7	0	0	0	108.3	L62 A70 T71 V103 V116 L140 T150 M290 V295	L62-I144 HydrophobicContact CD2-CG1 4.41Å; A70-I144 CarbonylContact C-O 3.57Å; A70-I144 WeakPolarHBondContact CA-O 3.23Å; A70-I144 VanDerWaalsContact CB-O 3.32Å; A70-I144 WeakPolarHBondContact CB-O 3.43Å; T71-I144 PolarHBondContact N-O 3.18Å; T71-I144 PolarHBondContact O-N 2.78Å; V103-I144 HydrophobicContact CG1-CD1 4.1Å; V103-I144 HydrophobicContact CG1-CG1 4.18Å; V103-I144 HydrophobicContact CG2-CD1 4.24Å; V103-I144 HydrophobicContact CG2-CG2 4.42Å; V116-I144 HydrophobicContact CG2-CD1 3.73Å; L140-I144 HydrophobicContact CD1-CD1 3.98Å; L140-I144 HydrophobicContact CD1-CG1 3.72Å; I144-T150 HydrophobicContact CG2-CG2 3.81Å; I144-M290 HydrophobicContact CD1-SD 4.43Å; I144-V295 HydrophobicContact CG2-CG2 4.24Å
145	P	91.2	Very high	91.5	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.032	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	150.3	174.4	29.2	-36.1	0	0	0	111.1	K143 T150 M290 E292 V295	K143-P145 WeakPolarHBondContact O-CD 3.28Å; P145-T150 PolarHBondContact O-OG1 2.59Å; P145-M290 VanDerWaalsContact CD-O 3.29Å; P145-M290 WeakPolarHBondContact CD-O 3.27Å; P145-M290 WeakPolarHBondContact CG-O 3.5Å; P145-E292 HydrophobicContact CB-CG 3.79Å; P145-E292 HydrophobicContact CG-CB 4.4Å; P145-E292 HydrophobicContact CG-CG 3.76Å; P145-V295 HydrophobicContact CG-CG2 3.7Å
146	Y	89.8	Confident	91.5	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.012	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-82.9	121.2	176.9	-59.6	-27.3	0	0	0	110.2	Y11 R64 G68 N69 A70 T71 T150 P152	Y11-Y146 HydrophobicContact CD2-CD2 4.46Å; Y11-Y146 WeakPolarHBondContact CE1-O 3.29Å; Y11-Y146 HydrophobicContact CG-CD2 4.13Å; Y11-Y146 HydrophobicContact CG-CG 4.34Å; Y11-Y146 VanDerWaalsContact CZ-O 3.31Å; R64-Y146 WeakPolarHBondContact CB-OH 3.02Å; G68-Y146 WeakPolarHBondContact O-CD2 3.15Å; G68-Y146 WeakPolarHBondContact O-CE2 3.45Å; N69-Y146 PolarHBondContact O-N 3.31Å; A70-Y146 VanDerWaalsContact C-CE1 3.48Å; A70-Y146 VanDerWaalsContact C-CZ 3.4Å; A70-Y146 PolarHBondContact O-OH 3.39Å; A70-Y146 VanDerWaalsContact O-OH 3.11Å; T71-Y146 WeakPolarHBondContact CB-OH 3.32Å; T71-Y146 HydrophobicContact CG2-CE1 3.81Å; Y146-T150 CarbonylContact C-O 3.4Å; Y146-T150 VanDerWaalsContact CA-O 3.28Å; Y146-T150 WeakPolarHBondContact CA-O 3.46Å; Y146-P152 HydrophobicContact CE1-CB 4.42Å; Y146-P152 HydrophobicContact CE1-CG 3.83Å; Y146-P152 HydrophobicContact CE2-CG 4.24Å
147	T	83.5	Confident	91.4	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.043	12%	0.124	C	C	.	.			trans	-122.2	-159.8	-176.6	67.8	0	0	0	0	110.3	F149 T150 R151 E292	T147-F149 VanDerWaalsContact C-N 3.27Å; T147-F149 PolarHBondContact OG1-N 3.49Å; T147-T150 PolarHBondContact N-O 2.78Å; T147-T150 PolarHBondContact N-OG1 3.24Å; T147-T150 PolarHBondContact OG1-N 2.88Å; T147-T150 PolarHBondContact OG1-OG1 3.35Å; T147-R151 WeakPolarHBondContact O-CG 3.27Å; T147-R151 PolarHBondContact O-NE 3.37Å; T147-E292 HydrophobicContact CG2-CG 4.48Å
148	K	75.5	Confident	91.2	Very high	113 Å²	113	31.3 Å²	31.3	49%	0.491	15%	0.148	S	C	.	.	S	Bend	trans	-70.9	-22.9	164.2	-75.7	-176.3	168.9	-171.8	0	113	H17	H17-K148 WeakPolarHBondContact CB-O 3.36Å; H17-K148 WeakPolarHBondContact CD2-CG 3.27Å; H17-K148 WeakPolarHBondContact NE2-CE 3.25Å
149	F	77.8	Confident	91	Very high	26 Å²	26	37.4 Å²	37.4	11%	0.114	18%	0.181	C	C	.	.	S	Bend	trans	-117.5	-20	-167.1	-44.8	-72.8	0	0	0	113.4	F18 H36 P39 T147 E297	F18-F149 AromaticContact CE2-CD1 3.85Å; F18-F149 HydrophobicContact CE2-CD1 3.85Å; F18-F149 AromaticContact CE2-CE1 3.73Å; F18-F149 HydrophobicContact CE2-CE1 3.73Å; F18-F149 HydrophobicContact CZ-CD1 4.5Å; F18-F149 AromaticContact CZ-CE1 3.92Å; F18-F149 HydrophobicContact CZ-CE1 3.92Å; H36-F149 HydrophobicContact CB-CB 4.47Å; H36-F149 HydrophobicContact CB-CD1 3.74Å; H36-F149 AromaticContact CD2-CD1 3.67Å; H36-F149 AromaticContact CD2-CE1 3.96Å; H36-F149 AromaticContact CG-CD1 3.41Å; H36-F149 VanDerWaalsContact CG-CD1 3.41Å; H36-F149 AromaticContact ND1-CD1 3.7Å; P39-F149 VanDerWaalsContact CA-O 3.27Å; P39-F149 WeakPolarHBondContact CA-O 3.35Å; P39-F149 WeakPolarHBondContact CB-O 3.28Å; T147-F149 VanDerWaalsContact C-N 3.27Å; T147-F149 PolarHBondContact OG1-N 3.49Å; F149-E297 HydrophobicContact CD2-CB 3.71Å; F149-E297 HydrophobicContact CD2-CG 3.75Å; F149-E297 HydrophobicContact CE2-CB 3.6Å; F149-E297 HydrophobicContact CE2-CG 3.9Å
150	T	87.8	Confident	90.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.			trans	-119.9	114.2	175.4	46	0	0	0	0	109.7	P39 A104 I144 P145 Y146 T147 V295	P39-T150 WeakPolarHBondContact O-CA 3.07Å; A104-T150 HydrophobicContact CB-CG2 3.95Å; I144-T150 HydrophobicContact CG2-CG2 3.81Å; P145-T150 PolarHBondContact O-OG1 2.59Å; Y146-T150 CarbonylContact C-O 3.4Å; Y146-T150 VanDerWaalsContact CA-O 3.28Å; Y146-T150 WeakPolarHBondContact CA-O 3.46Å; T147-T150 PolarHBondContact N-O 2.78Å; T147-T150 PolarHBondContact N-OG1 3.24Å; T147-T150 PolarHBondContact OG1-N 2.88Å; T147-T150 PolarHBondContact OG1-OG1 3.35Å; T150-V295 HydrophobicContact CG2-CG1 3.56Å
151	R	90.5	Very high	90.5	Very high	37 Å²	37	46.5 Å²	46.5	14%	0.14	22%	0.224	C	C	.	.			trans	-150.5	147.2	177.6	-66	-174.6	175.9	-170.3	-7.8	109.8	L15 P39 W40 T147	L15-R151 VanDerWaalsContact O-CD 3.24Å; L15-R151 WeakPolarHBondContact O-CD 3.48Å; L15-R151 PolarHBondContact O-NH1 3.08Å; P39-R151 CarbonylContact C-O 3.56Å; P39-R151 HydrophobicContact CB-CB 4.14Å; P39-R151 HydrophobicContact CB-CG 4.49Å; P39-R151 HydrophobicContact CG-CB 3.95Å; P39-R151 HydrophobicContact CG-CG 4.46Å; P39-R151 PolarHBondContact O-N 2.86Å; W40-R151 WeakPolarHBondContact CA-O 3.2Å; W40-R151 VanDerWaalsContact CB-O 3.23Å; W40-R151 WeakPolarHBondContact CB-O 3.41Å; W40-R151 PolarHBondContact N-O 2.87Å; T147-R151 WeakPolarHBondContact O-CG 3.27Å; T147-R151 PolarHBondContact O-NE 3.37Å
152	P	94	Very high	90.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-79.8	148.2	-179.4	32.7	-32	0	0	0	111.3	C13 G14 L62 R64 Y146	C13-P152 WeakPolarHBondContact CA-O 3.14Å; C13-P152 HydrophobicContact CB-CG 4.21Å; G14-P152 PolarHBondContact N-O 2.96Å; L62-P152 VanDerWaalsContact O-CA 3.23Å; L62-P152 WeakPolarHBondContact O-CA 3.4Å; R64-P152 HydrophobicContact CB-CB 4.19Å; R64-P152 HydrophobicContact CB-CG 4.24Å; R64-P152 HydrophobicContact CG-CB 4.08Å; R64-P152 HydrophobicContact CG-CG 3.87Å; Y146-P152 HydrophobicContact CE1-CB 4.42Å; Y146-P152 HydrophobicContact CE1-CG 3.83Å; Y146-P152 HydrophobicContact CE2-CG 4.24Å
153	V	95	Very high	90.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-73.8	152.9	164.6	67.3	0	0	0	0	109.4	W40 L62 I63 V237 F244 Q246	W40-V153 HydrophobicContact CB-CB 3.99Å; W40-V153 HydrophobicContact CB-CG1 4.47Å; W40-V153 HydrophobicContact CD2-CB 3.9Å; W40-V153 HydrophobicContact CD2-CG2 4.35Å; W40-V153 HydrophobicContact CE3-CB 4.31Å; W40-V153 HydrophobicContact CG-CB 3.74Å; L62-V153 PolarHBondContact O-N 3.21Å; I63-V153 HydrophobicContact CG2-CG1 4.04Å; V153-V237 HydrophobicContact CG2-CG1 3.77Å; V153-F244 WeakPolarHBondContact CG2-O 3.47Å; V153-Q246 HydrophobicContact CG1-CB 3.92Å; V153-Q246 VanDerWaalsContact CG1-OE1 3.26Å; V153-Q246 HydrophobicContact CG2-CB 4.04Å
154	C	95.5	Very high	89.9	Confident	10 Å²	10	43 Å²	43	7%	0.068	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-74.9	134.1	172.5	-66	0	0	0	0	110.7	C13 F244 I245 Q246	C13-C154 HydrophobicContact CB-CB 4Å; C13-C154 WeakPolarHBondContact CB-SG 3.41Å; C13-C154 PolarHBondContact O-SG 3.29Å; C13-C154 WeakPolarHBondContact SG-CA 3.45Å; C13-C154 WeakPolarHBondContact SG-CB 3.32Å; C13-C154 CovalentContact SG-SG 2.05Å; C13-C154 PolarHBondContact SG-SG 3.14Å; C154-F244 PolarHBondContact N-O 2.9Å; C154-I245 HydrophobicContact CB-CG1 4.17Å; C154-I245 WeakPolarHBondContact O-CA 3.35Å; C154-Q246 PolarHBondContact O-N 2.97Å
155	L	95.6	Very high	89.4	Confident	38 Å²	38	46.5 Å²	46.5	20%	0.199	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-73.4	144	163.2	-68	176.2	0	0	0	109.9	I63 I65 L75 V269 I273 I276	I63-L155 HydrophobicContact CB-CD2 4.23Å; I63-L155 HydrophobicContact CB-CG 4.36Å; I63-L155 HydrophobicContact CD1-CD1 4.31Å; I63-L155 HydrophobicContact CD1-CD2 4.46Å; I63-L155 HydrophobicContact CG2-CD2 3.86Å; I63-L155 HydrophobicContact CG2-CG 4.45Å; I65-L155 HydrophobicContact CG1-CD1 4.4Å; L75-L155 HydrophobicContact CD2-CD2 4.17Å; L155-V269 HydrophobicContact CD2-CG1 4.27Å; L155-I273 HydrophobicContact CB-CD1 4.02Å; L155-I273 HydrophobicContact CD2-CD1 4.48Å; L155-I276 HydrophobicContact CD1-CG2 4.33Å
156	P	94.7	Very high	89.3	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.032	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-74.9	157.2	175.7	29.7	-34.5	0	0	0	111.7	A160 I245 Q246 F247 V269 P270 I273	P156-A160 HydrophobicContact CB-CB 4.01Å; P156-I245 HydrophobicContact CB-CG2 3.68Å; P156-I245 HydrophobicContact CG-CG2 4.41Å; P156-Q246 WeakPolarHBondContact CD-O 3.37Å; P156-Q246 WeakPolarHBondContact CG-O 3.4Å; P156-F247 HydrophobicContact CB-CE1 4.37Å; P156-V269 HydrophobicContact CG-CB 4.35Å; P156-V269 HydrophobicContact CG-CG1 4.03Å; P156-P270 HydrophobicContact CB-CG 3.98Å; P156-P270 HydrophobicContact CG-CB 4.39Å; P156-P270 HydrophobicContact CG-CG 3.67Å; P156-I273 HydrophobicContact CG-CD1 4.2Å; P156-I273 VanDerWaalsContact O-CD1 3.25Å; P156-I273 WeakPolarHBondContact O-CD1 3.41Å; P156-I273 WeakPolarHBondContact O-CG1 3.36Å
157	P	93	Very high	89	Confident	76 Å²	76	53.1 Å²	53.1	49%	0.494	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-54.9	148.9	162	-24.3	33.4	0	0	0	112.2	D159 A160	P157-D159 VanDerWaalsContact CB-OD1 3.3Å; P157-D159 WeakPolarHBondContact CB-OD1 3.38Å; P157-D159 PolarHBondContact O-N 3.26Å; P157-A160 HydrophobicContact CB-CB 4.29Å; P157-A160 WeakPolarHBondContact O-CB 3.4Å; P157-A160 PolarHBondContact O-N 3.38Å
158	K	91.8	Very high	89.2	Confident	117 Å²	117	52.8 Å²	52.8	51%	0.509	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.2	-178.7	70	-180	-169.9	176.7	0	114.2	P270 I273 E274	K158-P270 WeakPolarHBondContact CA-O 3.47Å; K158-I273 HydrophobicContact CB-CB 4.06Å; K158-I273 HydrophobicContact CB-CG1 4.45Å; K158-I273 HydrophobicContact CB-CG2 4.29Å; K158-E274 HydrophobicContact CD-CG 4.21Å; K158-E274 VanDerWaalsContact CD-OE1 3.24Å; K158-E274 WeakPolarHBondContact CD-OE1 3.3Å; K158-E274 WeakPolarHBondContact CE-OE1 3.33Å; K158-E274 IonicContact NZ-OE1 3.56Å; K158-E274 PolarHBondContact NZ-OE1 2.61Å
159	D	91.5	Very high	89.7	Confident	129 Å²	129	47.5 Å²	47.5	69%	0.69	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	9	179.7	62.8	-42.6	0	0	0	112.9	P157 K161	P157-D159 VanDerWaalsContact CB-OD1 3.3Å; P157-D159 WeakPolarHBondContact CB-OD1 3.38Å; P157-D159 PolarHBondContact O-N 3.26Å; D159-K161 PolarHBondContact O-N 2.71Å
160	A	91.3	Very high	90	Very high	18 Å²	18	46.3 Å²	46.3	15%	0.149	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-57.1	135.6	179.5	0	0	0	0	0	111.6	P156 P157 F247 Y268 P270	P156-A160 HydrophobicContact CB-CB 4.01Å; P157-A160 HydrophobicContact CB-CB 4.29Å; P157-A160 WeakPolarHBondContact O-CB 3.4Å; P157-A160 PolarHBondContact O-N 3.38Å; A160-F247 HydrophobicContact CB-CE1 3.85Å; A160-F247 HydrophobicContact CB-CZ 4.42Å; A160-Y268 PolarHBondContact O-OH 2.66Å; A160-P270 HydrophobicContact CB-CB 4.36Å; A160-P270 HydrophobicContact CB-CG 4.15Å
161	K	90.5	Very high	89.6	Confident	185 Å²	185	46.4 Å²	46.4	80%	0.804	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-75.9	159.5	176	-64	-175.9	180	-177.9	0	111	D159 F247	D159-K161 PolarHBondContact O-N 2.71Å; K161-F247 VanDerWaalsContact O-CE1 3.27Å; K161-F247 WeakPolarHBondContact O-CE1 3.04Å
162	L	89.3	Confident	88.9	Confident	48 Å²	48	44.8 Å²	44.8	25%	0.251	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-64.1	127.4	176.3	-165.2	65.2	0	0	0	109.9	V164 V194 W195 I218 Y268	L162-V164 HydrophobicContact CB-CG2 4.21Å; L162-V164 HydrophobicContact CD2-CG2 3.82Å; L162-V164 HydrophobicContact CG-CG2 3.86Å; L162-V164 PolarHBondContact O-N 2.87Å; L162-V194 HydrophobicContact CD1-CG1 3.73Å; L162-V194 HydrophobicContact CD2-CG1 4.29Å; L162-V194 HydrophobicContact CG-CG1 3.75Å; L162-W195 WeakPolarHBondContact CD2-O 3.38Å; L162-I218 HydrophobicContact CD1-CB 4.02Å; L162-I218 HydrophobicContact CD1-CD1 3.91Å; L162-I218 HydrophobicContact CD1-CG2 3.43Å; L162-I218 VanDerWaalsContact CD1-CG2 3.43Å; L162-Y268 HydrophobicContact CD1-CD2 4.32Å; L162-Y268 HydrophobicContact CD1-CE2 3.75Å; L162-Y268 PolarHBondContact N-OH 3.06Å
163	P	88.7	Confident	87.9	Confident	8 Å²	8	45 Å²	45	5%	0.052	25%	0.25	C	C	.	.			trans	-82.6	54.8	-172.3	36.5	-39	0	0	0	111.5	G165 E166 V194 C238 I240 F247	P163-G165 PolarHBondContact O-N 3.44Å; P163-E166 HydrophobicContact CB-CB 3.97Å; P163-E166 HydrophobicContact CB-CG 3.82Å; P163-E166 WeakPolarHBondContact O-CB 3.4Å; P163-E166 PolarHBondContact O-N 2.88Å; P163-V194 HydrophobicContact CG-CB 4.5Å; P163-V194 HydrophobicContact CG-CG1 4.47Å; P163-V194 HydrophobicContact CG-CG2 4.23Å; P163-C238 HydrophobicContact CB-CB 4.28Å; P163-C238 HydrophobicContact CG-CB 4.3Å; P163-C238 WeakPolarHBondContact CG-SG 3.47Å; P163-I240 HydrophobicContact CB-CD1 4.25Å; P163-F247 HydrophobicContact CB-CD2 4.29Å; P163-F247 HydrophobicContact CB-CE1 4.4Å; P163-F247 HydrophobicContact CB-CE2 4.13Å; P163-F247 HydrophobicContact CB-CG 4.47Å; P163-F247 HydrophobicContact CB-CZ 4.18Å; P163-F247 HydrophobicContact CG-CB 4.08Å; P163-F247 HydrophobicContact CG-CD1 3.85Å; P163-F247 HydrophobicContact CG-CD2 3.84Å; P163-F247 HydrophobicContact CG-CE1 4.18Å; P163-F247 HydrophobicContact CG-CE2 4.17Å; P163-F247 HydrophobicContact CG-CG 3.65Å; P163-F247 HydrophobicContact CG-CZ 4.32Å
164	V	88.3	Confident	86.2	Confident	77 Å²	77	45.2 Å²	45.2	47%	0.467	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	125.4	179.2	-177.4	0	0	0	0	109.1	L162 E166	L162-V164 HydrophobicContact CB-CG2 4.21Å; L162-V164 HydrophobicContact CD2-CG2 3.82Å; L162-V164 HydrophobicContact CG-CG2 3.86Å; L162-V164 PolarHBondContact O-N 2.87Å; V164-E166 VanDerWaalsContact C-N 3.35Å
165	G	83.2	Confident	84	Confident	75 Å²	75	47.6 Å²	47.6	77%	0.773	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-8.6	-177.1	0	0	0	0	0	115.7	P163	P163-G165 PolarHBondContact O-N 3.44Å
166	E	88.1	Confident	81.5	Confident	86 Å²	86	48 Å²	48	40%	0.402	26%	0.263	S	S	.	.	S	Bend	trans	-77.3	162	177.2	-62.1	-73.8	179.8	0	0	112.2	P163 V164 C168 I240	P163-E166 HydrophobicContact CB-CB 3.97Å; P163-E166 HydrophobicContact CB-CG 3.82Å; P163-E166 WeakPolarHBondContact O-CB 3.4Å; P163-E166 PolarHBondContact O-N 2.88Å; V164-E166 VanDerWaalsContact C-N 3.35Å; E166-C168 PolarHBondContact O-N 3.26Å; E166-C168 VanDerWaalsContact O-N 3.11Å; E166-I240 HydrophobicContact CB-CD1 3.95Å; E166-I240 HydrophobicContact CG-CD1 3.54Å
167	E	84	Confident	78.7	Confident	60 Å²	60	51.3 Å²	51.3	28%	0.28	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	95.6	177.8	-53.7	-151.9	124.4	0	0	111.4	Y169 R191 C238 K239	E167-Y169 HydrophobicContact CB-CE2 3.98Å; E167-Y169 WeakPolarHBondContact O-CE2 3.47Å; E167-Y169 PolarHBondContact OE2-OH 2.86Å; E167-R191 IonicContact OE1-CZ 3.18Å; E167-R191 IonicContact OE1-NH1 3.91Å; E167-R191 PolarHBondContact OE1-NH1 3.41Å; E167-R191 IonicContact OE1-NH2 2.88Å; E167-R191 PolarHBondContact OE1-NH2 3.22Å; E167-C238 WeakPolarHBondContact O-CA 3.2Å; E167-K239 HydrophobicContact CB-CB 4.43Å; E167-K239 PolarHBondContact O-N 2.79Å
168	C	87.1	Confident	76	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	145.9	180	-54.4	0	0	0	0	113.3	E166 R191 V192 V194 L236 V237 C238	E166-C168 PolarHBondContact O-N 3.26Å; E166-C168 VanDerWaalsContact O-N 3.11Å; C168-R191 CarbonylContact O-C 3.48Å; C168-R191 WeakPolarHBondContact O-CA 3.41Å; C168-V192 HydrophobicContact CB-CG2 4.34Å; C168-V192 WeakPolarHBondContact CB-O 3.45Å; C168-V192 PolarHBondContact O-N 3.37Å; C168-V194 HydrophobicContact CB-CG2 4.14Å; C168-V194 VanDerWaalsContact SG-CG2 3.6Å; C168-L236 HydrophobicContact CB-CD1 3.95Å; C168-V237 CarbonylContact C-O 3.57Å; C168-V237 WeakPolarHBondContact CA-O 3.04Å; C168-C238 HydrophobicContact CB-CB 4.07Å; C168-C238 WeakPolarHBondContact CB-SG 3.21Å; C168-C238 WeakPolarHBondContact SG-CB 3.29Å; C168-C238 CovalentContact SG-SG 2.04Å; C168-C238 PolarHBondContact SG-SG 3.26Å
169	Y	85.6	Confident	73.3	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147	-175.2	-53.8	-87	0	0	0	111.2	Y22 W31 E167 M189 V190 R191 L236 V237 F244	Y22-Y169 HydrophobicContact CE1-CE1 4.05Å; Y22-Y169 PolarHBondContact OH-OH 3.3Å; W31-Y169 HydrophobicContact CZ2-CD1 4.42Å; W31-Y169 HydrophobicContact CZ2-CE1 4.2Å; E167-Y169 HydrophobicContact CB-CE2 3.98Å; E167-Y169 WeakPolarHBondContact O-CE2 3.47Å; E167-Y169 PolarHBondContact OE2-OH 2.86Å; Y169-M189 HydrophobicContact CD1-CE 3.26Å; Y169-M189 HydrophobicContact CE1-CE 3.88Å; Y169-M189 HydrophobicContact CG-CE 3.84Å; Y169-V190 VanDerWaalsContact CA-O 3.31Å; Y169-V190 WeakPolarHBondContact CA-O 3.21Å; Y169-R191 HydrophobicContact CD1-CB 3.98Å; Y169-R191 HydrophobicContact CD1-CG 4.41Å; Y169-R191 HydrophobicContact CE1-CB 3.93Å; Y169-R191 HydrophobicContact CE1-CG 4.09Å; Y169-L236 WeakPolarHBondContact O-CA 3.36Å; Y169-V237 PolarHBondContact N-O 3.11Å; Y169-V237 PolarHBondContact O-N 2.89Å; Y169-F244 AromaticContact CD2-CE1 3.8Å; Y169-F244 HydrophobicContact CD2-CE1 3.8Å; Y169-F244 AromaticContact CE2-CE1 3.9Å; Y169-F244 HydrophobicContact CE2-CE1 3.9Å
170	V	84.2	Confident	70.5	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.4	167.5	-179.6	0	0	0	0	107.5	M189 V190 V192 L236 V250 Y266	V170-M189 CarbonylContact O-C 3.22Å; V170-M189 WeakPolarHBondContact O-CA 3.11Å; V170-M189 WeakPolarHBondContact O-CB 3.34Å; V170-V190 HydrophobicContact CB-CG1 3.98Å; V170-V190 PolarHBondContact N-O 3.08Å; V170-V190 PolarHBondContact O-N 3.17Å; V170-V192 HydrophobicContact CG2-CG2 4.08Å; V170-L236 HydrophobicContact CG2-CB 4.29Å; V170-L236 HydrophobicContact CG2-CD1 3.69Å; V170-V250 HydrophobicContact CG1-CG2 3.55Å; V170-Y266 HydrophobicContact CG2-CE1 3.71Å
171	A	79.8	Confident	68	Low	2 Å²	2	45.6 Å²	45.6	2%	0.017	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.8	175	0	0	0	0	0	111.4	V33 F38 H41 R188 M189	V33-A171 HydrophobicContact CG2-CB 4.27Å; F38-A171 HydrophobicContact CD1-CB 3.6Å; F38-A171 HydrophobicContact CE1-CB 3.78Å; F38-A171 HydrophobicContact CG-CB 4.14Å; F38-A171 HydrophobicContact CZ-CB 4.45Å; H41-A171 PolarHBondContact CE1-O 3.08Å; H41-A171 VanDerWaalsContact CE1-O 3.24Å; H41-A171 PolarHBondContact ND1-O 3.23Å; A171-R188 CarbonylContact C-O 3.59Å; A171-R188 WeakPolarHBondContact CA-O 3.24Å; A171-M189 HydrophobicContact CB-CB 4.06Å
172	G	76.3	Confident	65.6	Low	2 Å²	2	41.4 Å²	41.4	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	165.3	-176.2	0	0	0	0	0	114.2	G174 R188 D231	G172-G174 VanDerWaalsContact C-N 3.3Å; G172-R188 PolarHBondContact N-O 3.28Å; G172-R188 PolarHBondContact O-N 3.34Å; G172-D231 WeakPolarHBondContact CA-OD1 3.4Å
173	H	71.9	Confident	63.8	Low	5 Å²	5	39.8 Å²	39.8	2%	0.023	22%	0.223	C	C	.	.			trans	-97.8	25.4	168	-61	102.7	0	0	0	111.5	H41 H106 R108 S183 E186 L187	H41-H173 AromaticContact NE2-ND1 3.87Å; H106-H173 PolarHBondContact O-NE2 3.36Å; R108-H173 VanDerWaalsContact CD-CB 3.44Å; R108-H173 HydrophobicContact CG-CB 3.98Å; H173-S183 WeakPolarHBondContact O-CB 3.46Å; H173-S183 PolarHBondContact O-OG 2.89Å; H173-E186 VanDerWaalsContact CD2-C 3.46Å; H173-E186 PolarHBondContact CD2-O 3.19Å; H173-L187 WeakPolarHBondContact NE2-CA 3.28Å; H173-L187 PolarHBondContact NE2-N 2.78Å
174	G	59.2	Low	62.2	Low	4 Å²	4	39.7 Å²	39.7	4%	0.041	22%	0.222	C	C	.	.			trans	-62.2	166.9	175.3	0	0	0	0	0	112.4	G172 L176 P184 D231	G172-G174 VanDerWaalsContact C-N 3.3Å; G174-L176 PolarHBondContact O-N 2.89Å; G174-L176 VanDerWaalsContact O-N 3.11Å; G174-P184 WeakPolarHBondContact O-CD 3.3Å; G174-D231 WeakPolarHBondContact CA-OD1 3.49Å; G174-D231 PolarHBondContact N-OD1 3.38Å
175	K	50.1	Low	61.3	Low	60 Å²	60	40.7 Å²	40.7	26%	0.261	22%	0.222	S	C	.	.			trans	-61.8	119.7	-174.6	-70.3	178.6	168.6	-133.8	0	110.6	F177 S180 Q228 K229	K175-F177 WeakPolarHBondContact CB-O 3.46Å; K175-F177 PolarHBondContact O-N 3.44Å; K175-F177 VanDerWaalsContact O-N 3.11Å; K175-S180 WeakPolarHBondContact CD-O 3.25Å; K175-S180 PolarHBondContact NZ-O 3.24Å; K175-Q228 PolarHBondContact O-OE1 3.44Å; K175-K229 WeakPolarHBondContact CG-O 3.25Å; K175-K229 PolarHBondContact N-O 2.89Å
176	L	42.7	Very low	60.6	Low	47 Å²	47	39 Å²	39	25%	0.246	19%	0.194	C	C	.	.	S	Bend	trans	-48.1	-39.5	176.4	-84.1	-172.5	0	0	0	112.7	I27 G174 P184 R188	I27-L176 HydrophobicContact CD1-CB 3.52Å; I27-L176 HydrophobicContact CD1-CD1 4.14Å; I27-L176 HydrophobicContact CD1-CD2 3.93Å; I27-L176 HydrophobicContact CD1-CG 4.06Å; I27-L176 WeakPolarHBondContact CD1-O 3.26Å; G174-L176 PolarHBondContact O-N 2.89Å; G174-L176 VanDerWaalsContact O-N 3.11Å; L176-P184 HydrophobicContact CD1-CB 4Å; L176-P184 HydrophobicContact CD2-CB 3.87Å; L176-P184 HydrophobicContact CD2-CG 3.94Å; L176-P184 HydrophobicContact CG-CB 3.74Å; L176-P184 HydrophobicContact CG-CG 3.94Å; L176-R188 HydrophobicContact CD2-CG 3.7Å
177	F	36	Very low	60	Low	74 Å²	74	35.2 Å²	35.2	33%	0.325	18%	0.176	S	C	.	.	S	Bend	trans	-129.4	140.6	169.9	-49.4	-96.9	0	0	0	107.4	I27 K175 Q179 S180	I27-F177 HydrophobicContact CB-CE1 4.18Å; I27-F177 HydrophobicContact CD1-CD1 3.97Å; I27-F177 HydrophobicContact CD1-CD2 3.73Å; I27-F177 HydrophobicContact CD1-CE1 3.58Å; I27-F177 HydrophobicContact CD1-CE2 3.31Å; I27-F177 HydrophobicContact CD1-CG 4.06Å; I27-F177 HydrophobicContact CD1-CZ 3.23Å; I27-F177 HydrophobicContact CG1-CD1 4.35Å; I27-F177 HydrophobicContact CG1-CE1 3.63Å; I27-F177 HydrophobicContact CG1-CE2 4.11Å; I27-F177 HydrophobicContact CG1-CZ 3.5Å; I27-F177 VanDerWaalsContact CG1-CZ 3.5Å; I27-F177 HydrophobicContact CG2-CD1 3.62Å; I27-F177 HydrophobicContact CG2-CE1 3.47Å; I27-F177 VanDerWaalsContact CG2-CE1 3.47Å; I27-F177 HydrophobicContact CG2-CG 4.5Å; I27-F177 HydrophobicContact CG2-CZ 4.25Å; K175-F177 WeakPolarHBondContact CB-O 3.46Å; K175-F177 PolarHBondContact O-N 3.44Å; K175-F177 VanDerWaalsContact O-N 3.11Å; F177-Q179 WeakPolarHBondContact O-CA 3.45Å; F177-Q179 PolarHBondContact O-N 3.02Å; F177-S180 PolarHBondContact N-OG 3.28Å; F177-S180 PolarHBondContact O-N 3.2Å; F177-S180 PolarHBondContact O-OG 3.31Å; F177-S180 VanDerWaalsContact O-OG 3.1Å
178	M	36	Very low	59.5	Low	36 Å²	36	33.7 Å²	33.7	18%	0.177	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn		28.7	56.4	92	-78.2	-111.5	166.6	0	0	113.5	E255 P998 C1001 S1002 K1005 M1009	M178-E255 HydrophobicContact CE-CG 4.1Å; M178-E255 WeakPolarHBondContact CE-OE1 3.17Å; M178-E255 WeakPolarHBondContact CG-OE1 3.37Å; M178-P998 HydrophobicContact SD-CB 4.49Å; M178-P998 HydrophobicContact SD-CG 4.46Å; M178-C1001 HydrophobicContact SD-CB 4.14Å; M178-C1001 VanDerWaalsContact SD-SG 3.62Å; M178-S1002 WeakPolarHBondContact O-CB 3.11Å; M178-S1002 PolarHBondContact O-OG 2.87Å; M178-K1005 HydrophobicContact CB-CD 3.56Å; M178-K1005 HydrophobicContact CG-CD 3.75Å; M178-K1005 WeakPolarHBondContact O-CB 3.49Å; M178-K1005 HydrophobicContact SD-CD 3.46Å; M178-K1005 WeakPolarHBondContact SD-CD 3.22Å; M178-K1005 WeakPolarHBondContact SD-CE 3.37Å; M178-K1005 HydrophobicContact SD-CG 4.29Å; M178-K1005 PolarHBondContact SD-NZ 3.16Å; M178-M1009 HydrophobicContact SD-SD 4.33Å
179	Q	34.7	Very low	58.9	Low	53 Å²	53	33.9 Å²	33.9	25%	0.248	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	46.3	-174.7	-55.5	163.5	19.9	0	0	118.9	F177 T1004 K1005	F177-Q179 WeakPolarHBondContact O-CA 3.45Å; F177-Q179 PolarHBondContact O-N 3.02Å; Q179-T1004 PolarHBondContact OE1-O 3.12Å; Q179-T1004 VanDerWaalsContact OE1-O 3.05Å; Q179-K1005 HydrophobicContact CB-CB 3.73Å; Q179-K1005 HydrophobicContact CG-CB 3.68Å; Q179-K1005 HydrophobicContact CG-CD 4Å; Q179-K1005 HydrophobicContact CG-CG 4.04Å; Q179-K1005 VanDerWaalsContact OE1-N 3.16Å
180	S	33.8	Very low	58.1	Low	13 Å²	13	34.5 Å²	34.5	9%	0.091	17%	0.173	C	C	.	.			trans	-68.4	144	138	56.3	0	0	0	0	110.3	K175 F177 L182	K175-S180 WeakPolarHBondContact CD-O 3.25Å; K175-S180 PolarHBondContact NZ-O 3.24Å; F177-S180 PolarHBondContact N-OG 3.28Å; F177-S180 PolarHBondContact O-N 3.2Å; F177-S180 PolarHBondContact O-OG 3.31Å; F177-S180 VanDerWaalsContact O-OG 3.1Å; S180-L182 VanDerWaalsContact C-N 3.27Å; S180-L182 VanDerWaalsContact CB-O 3.22Å; S180-L182 WeakPolarHBondContact CB-O 3.4Å; S180-L182 PolarHBondContact OG-O 3.46Å
181	N	39.4	Very low	57.7	Low	118 Å²	118	38.9 Å²	38.9	63%	0.631	19%	0.189	S	C	*	.	S	Bend	trans	-77.4	-24.5	152.3	-78.4	-22.4	0	0	0	110.1	S183	N181-S183 VanDerWaalsContact C-N 3.28Å; N181-S183 PolarHBondContact O-N 3.12Å
182	L	38.5	Very low	57.5	Low	97 Å²	97	38.8 Å²	38.8	51%	0.508	19%	0.189	S	C	.	.			trans	-63.7	83	164.7	-58.8	135	0	0	0	111	S180 E753	S180-L182 VanDerWaalsContact C-N 3.27Å; S180-L182 VanDerWaalsContact CB-O 3.22Å; S180-L182 WeakPolarHBondContact CB-O 3.4Å; S180-L182 PolarHBondContact OG-O 3.46Å; L182-E753 WeakPolarHBondContact CD2-OE2 3.49Å
183	S	53	Low	57.6	Low	15 Å²	15	41.4 Å²	41.4	11%	0.105	21%	0.207	C	C	.	.			trans	-57.1	142	140.4	-76.3	0	0	0	0	108	R108 H173 N181	R108-S183 VanDerWaalsContact CZ-CB 3.43Å; R108-S183 VanDerWaalsContact NH1-CB 3.32Å; R108-S183 VanDerWaalsContact NH2-C 3.28Å; R108-S183 VanDerWaalsContact NH2-CB 3.3Å; R108-S183 PolarHBondContact NH2-O 3.26Å; H173-S183 WeakPolarHBondContact O-CB 3.46Å; H173-S183 PolarHBondContact O-OG 2.89Å; N181-S183 VanDerWaalsContact C-N 3.28Å; N181-S183 PolarHBondContact O-N 3.12Å
184	P	55.1	Low	58.3	Low	5 Å²	5	41.3 Å²	41.3	3%	0.032	21%	0.207	C	C	.	.			trans	-64.2	146.2	-178.9	29.7	-31.6	0	0	0	109.4	R108 G174 L176 E186 R188	R108-P184 PolarHBondContact NE-O 3.29Å; R108-P184 PolarHBondContact NH2-O 2.97Å; G174-P184 WeakPolarHBondContact O-CD 3.3Å; L176-P184 HydrophobicContact CD1-CB 4Å; L176-P184 HydrophobicContact CD2-CB 3.87Å; L176-P184 HydrophobicContact CD2-CG 3.94Å; L176-P184 HydrophobicContact CG-CB 3.74Å; L176-P184 HydrophobicContact CG-CG 3.94Å; P184-E186 WeakPolarHBondContact CB-O 3.43Å; P184-E186 WeakPolarHBondContact CG-O 3.28Å; P184-R188 HydrophobicContact CB-CG 3.91Å; P184-R188 HydrophobicContact CG-CG 3.58Å
185	E	67.9	Low	59.6	Low	99 Å²	99	43.8 Å²	43.8	46%	0.463	22%	0.215	S	C	.	.	S	Bend	trans	-67.3	-37.9	170.3	-59.5	-160	142.3	0	0	109.4	M107 R108 N109	M107-E185 CarbonylContact C-O 3.52Å; M107-E185 VanDerWaalsContact CA-O 3.27Å; M107-E185 WeakPolarHBondContact CA-O 3.03Å; R108-E185 PolarHBondContact N-O 3.25Å; N109-E185 PolarHBondContact ND2-OE1 3.33Å; N109-E185 PolarHBondContact ND2-OE2 3.46Å
186	E	68.8	Low	61.4	Low	40 Å²	40	42.1 Å²	42.1	19%	0.187	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-88.6	149.9	-176.3	-36	90.2	147.6	0	0	112.9	E32 H106 M107 H173 P184 R188	E32-E186 HydrophobicContact CG-CB 4.01Å; E32-E186 WeakPolarHBondContact OE1-CB 3.2Å; H106-E186 CarbonylContact O-C 3.33Å; H106-E186 WeakPolarHBondContact O-CA 3.45Å; M107-E186 HydrophobicContact CE-CG 3.87Å; M107-E186 HydrophobicContact CG-CG 4.42Å; H173-E186 VanDerWaalsContact CD2-C 3.46Å; H173-E186 PolarHBondContact CD2-O 3.19Å; P184-E186 WeakPolarHBondContact CB-O 3.43Å; P184-E186 WeakPolarHBondContact CG-O 3.28Å; E186-R188 PolarHBondContact O-N 3.16Å; E186-R188 IonicContact OE1-NH2 2.8Å; E186-R188 PolarHBondContact OE1-NH2 3Å; E186-R188 IonicContact OE2-CZ 2.79Å; E186-R188 IonicContact OE2-NE 3.14Å; E186-R188 IonicContact OE2-NH2 2.7Å; E186-R188 PolarHBondContact OE2-NH2 3.04Å
187	L	74.9	Confident	63.6	Low	5 Å²	5	43.6 Å²	43.6	3%	0.026	22%	0.215	C	C	.	.			trans	-68.1	131	177.3	-176.1	63.1	0	0	0	110.3	E32 V33 F38 H41 H106 H173	E32-L187 WeakPolarHBondContact CG-O 3.13Å; V33-L187 HydrophobicContact CB-CB 4.21Å; V33-L187 HydrophobicContact CB-CD2 4.11Å; V33-L187 HydrophobicContact CB-CG 4.01Å; V33-L187 HydrophobicContact CG1-CD2 3.96Å; V33-L187 HydrophobicContact CG1-CG 4.42Å; V33-L187 HydrophobicContact CG2-CB 4.47Å; V33-L187 HydrophobicContact CG2-CD2 4.09Å; V33-L187 HydrophobicContact CG2-CG 3.82Å; V33-L187 PolarHBondContact N-O 3.27Å; F38-L187 HydrophobicContact CB-CD2 4.35Å; H41-L187 HydrophobicContact CB-CD2 4.16Å; H41-L187 VanDerWaalsContact CD2-CD1 3.48Å; H41-L187 WeakPolarHBondContact CD2-CD1 3.45Å; H41-L187 WeakPolarHBondContact NE2-CD1 3.35Å; H106-L187 PolarHBondContact O-N 2.86Å; H173-L187 WeakPolarHBondContact NE2-CA 3.28Å; H173-L187 PolarHBondContact NE2-N 2.78Å
188	R	73.5	Confident	66	Low	28 Å²	28	46.2 Å²	46.2	11%	0.106	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	157.2	178.7	-56.3	-63.9	175.7	179.3	-12.8	110.4	W31 E32 A171 G172 L176 P184 E186	W31-R188 CarbonylContact O-C 3.49Å; W31-R188 WeakPolarHBondContact O-CA 3.49Å; E32-R188 VanDerWaalsContact CB-NH1 3.25Å; E32-R188 IonicContact OE2-CZ 2.73Å; E32-R188 IonicContact OE2-NH1 3.41Å; E32-R188 PolarHBondContact OE2-NH1 3.32Å; E32-R188 IonicContact OE2-NH2 2.85Å; E32-R188 PolarHBondContact OE2-NH2 2.97Å; A171-R188 CarbonylContact C-O 3.59Å; A171-R188 WeakPolarHBondContact CA-O 3.24Å; G172-R188 PolarHBondContact N-O 3.28Å; G172-R188 PolarHBondContact O-N 3.34Å; L176-R188 HydrophobicContact CD2-CG 3.7Å; P184-R188 HydrophobicContact CB-CG 3.91Å; P184-R188 HydrophobicContact CG-CG 3.58Å; E186-R188 PolarHBondContact O-N 3.16Å; E186-R188 IonicContact OE1-NH2 2.8Å; E186-R188 PolarHBondContact OE1-NH2 3Å; E186-R188 IonicContact OE2-CZ 2.79Å; E186-R188 IonicContact OE2-NE 3.14Å; E186-R188 IonicContact OE2-NH2 2.7Å; E186-R188 PolarHBondContact OE2-NH2 3.04Å
189	M	74.4	Confident	68.4	Low	4 Å²	4	48.7 Å²	48.7	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.4	172.1	61.4	178.7	-66.3	0	0	111.7	P20 G30 W31 V33 F38 Y169 V170 A171	P20-M189 HydrophobicContact CB-CE 4.45Å; G30-M189 CarbonylContact C-O 3.53Å; G30-M189 VanDerWaalsContact CA-O 3.28Å; G30-M189 WeakPolarHBondContact CA-O 3.5Å; W31-M189 HydrophobicContact CG-CG 4.15Å; W31-M189 HydrophobicContact CZ2-CE 4.28Å; W31-M189 PolarHBondContact N-O 3.21Å; W31-M189 VanDerWaalsContact NE1-CG 3.31Å; W31-M189 PolarHBondContact NE1-SD 3.15Å; W31-M189 PolarHBondContact O-N 3.08Å; V33-M189 HydrophobicContact CG2-CB 3.51Å; V33-M189 HydrophobicContact CG2-CG 3.53Å; V33-M189 HydrophobicContact CG2-SD 3.84Å; F38-M189 HydrophobicContact CD2-SD 4.35Å; F38-M189 HydrophobicContact CE2-CE 3.64Å; F38-M189 HydrophobicContact CE2-SD 3.49Å; F38-M189 WeakPolarHBondContact CE2-SD 2.98Å; F38-M189 HydrophobicContact CZ-CE 3.63Å; F38-M189 HydrophobicContact CZ-SD 4.03Å; Y169-M189 HydrophobicContact CD1-CE 3.26Å; Y169-M189 HydrophobicContact CE1-CE 3.88Å; Y169-M189 HydrophobicContact CG-CE 3.84Å; V170-M189 CarbonylContact O-C 3.22Å; V170-M189 WeakPolarHBondContact O-CA 3.11Å; V170-M189 WeakPolarHBondContact O-CB 3.34Å; A171-M189 HydrophobicContact CB-CB 4.06Å
190	V	70.6	Confident	70.9	Confident	16 Å²	16	46.3 Å²	46.3	10%	0.097	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.4	175.2	51.9	0	0	0	0	108.4	G29 Y169 V170 V192	G29-V190 WeakPolarHBondContact O-CG2 2.99Å; Y169-V190 VanDerWaalsContact CA-O 3.31Å; Y169-V190 WeakPolarHBondContact CA-O 3.21Å; V170-V190 HydrophobicContact CB-CG1 3.98Å; V170-V190 PolarHBondContact N-O 3.08Å; V170-V190 PolarHBondContact O-N 3.17Å; V190-V192 HydrophobicContact CG1-CG1 4.21Å; V190-V192 HydrophobicContact CG2-CG1 3.99Å
191	R	74.3	Confident	73.4	Confident	93 Å²	93	48.2 Å²	48.2	35%	0.351	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.1	165.8	179.7	-176.5	179.5	134.9	3.6	108.1	W31 E167 C168 Y169	W31-R191 HydrophobicContact CH2-CB 3.44Å; W31-R191 VanDerWaalsContact CH2-CB 3.44Å; W31-R191 HydrophobicContact CZ2-CB 3.92Å; W31-R191 HydrophobicContact CZ3-CB 4.45Å; E167-R191 IonicContact OE1-CZ 3.18Å; E167-R191 IonicContact OE1-NH1 3.91Å; E167-R191 PolarHBondContact OE1-NH1 3.41Å; E167-R191 IonicContact OE1-NH2 2.88Å; E167-R191 PolarHBondContact OE1-NH2 3.22Å; C168-R191 CarbonylContact O-C 3.48Å; C168-R191 WeakPolarHBondContact O-CA 3.41Å; Y169-R191 HydrophobicContact CD1-CB 3.98Å; Y169-R191 HydrophobicContact CD1-CG 4.41Å; Y169-R191 HydrophobicContact CE1-CB 3.93Å; Y169-R191 HydrophobicContact CE1-CG 4.09Å
192	V	75.6	Confident	75.4	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.4	177.3	-63.9	0	0	0	0	110.1	C168 V170 V190 A220 L236	C168-V192 HydrophobicContact CB-CG2 4.34Å; C168-V192 WeakPolarHBondContact CB-O 3.45Å; C168-V192 PolarHBondContact O-N 3.37Å; V170-V192 HydrophobicContact CG2-CG2 4.08Å; V190-V192 HydrophobicContact CG1-CG1 4.21Å; V190-V192 HydrophobicContact CG2-CG1 3.99Å; V192-A220 HydrophobicContact CB-CB 4.25Å; V192-A220 HydrophobicContact CG2-CB 3.99Å; V192-L236 HydrophobicContact CG2-CD1 3.37Å
193	S	79.6	Confident	77.2	Confident	57 Å²	57	42.5 Å²	42.5	40%	0.399	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-87.2	128.4	168.9	-62.5	0	0	0	0	109	A220 G221 T222	S193-A220 CarbonylContact O-C 3.53Å; S193-A220 WeakPolarHBondContact O-CA 3.24Å; S193-A220 WeakPolarHBondContact O-CB 3.33Å; S193-G221 PolarHBondContact O-N 3.36Å; S193-T222 WeakPolarHBondContact OG-CG2 3.18Å
194	V	86.7	Confident	78.1	Confident	3 Å²	3	42 Å²	42	2%	0.018	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-78.5	129.7	169.7	177.6	0	0	0	0	108.7	L162 P163 C168 I218 A220 L236	L162-V194 HydrophobicContact CD1-CG1 3.73Å; L162-V194 HydrophobicContact CD2-CG1 4.29Å; L162-V194 HydrophobicContact CG-CG1 3.75Å; P163-V194 HydrophobicContact CG-CB 4.5Å; P163-V194 HydrophobicContact CG-CG1 4.47Å; P163-V194 HydrophobicContact CG-CG2 4.23Å; C168-V194 HydrophobicContact CB-CG2 4.14Å; C168-V194 VanDerWaalsContact SG-CG2 3.6Å; V194-I218 HydrophobicContact CG1-CD1 4.38Å; V194-A220 HydrophobicContact CG2-CB 4.09Å; V194-L236 HydrophobicContact CG2-CD2 4.13Å
195	W	85.2	Confident	78.7	Confident	56 Å²	56	43.3 Å²	43.3	21%	0.212	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-89.1	157.3	-174.5	-68	21.4	0	0	0	110.2	L162 D199 S203 C219 G221 K262	L162-W195 WeakPolarHBondContact CD2-O 3.38Å; W195-D199 HydrophobicContact CB-CB 4.07Å; W195-D199 HydrophobicContact CD2-CB 4.47Å; W195-D199 HydrophobicContact CE3-CB 3.92Å; W195-S203 VanDerWaalsContact CZ3-CB 3.48Å; W195-C219 HydrophobicContact CB-CB 4.27Å; W195-C219 PolarHBondContact N-O 3.21Å; W195-G221 PolarHBondContact NE1-O 2.68Å; W195-K262 HydrophobicContact CH2-CB 4.03Å
196	S	89.3	Confident	79.2	Confident	24 Å²	24	43.2 Å²	43.2	17%	0.168	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-64	167	169.1	73.2	0	0	0	0	111.1	E198 D199 C200	S196-E198 WeakPolarHBondContact CB-OE2 3.33Å; S196-E198 PolarHBondContact O-N 2.74Å; S196-D199 WeakPolarHBondContact CB-OD2 3.37Å; S196-D199 WeakPolarHBondContact OG-CB 3.28Å; S196-D199 PolarHBondContact OG-N 2.94Å; S196-D199 PolarHBondContact OG-OD2 2.82Å; S196-C200 WeakPolarHBondContact O-CB 3.46Å; S196-C200 PolarHBondContact O-N 2.92Å
197	K	87.9	Confident	79.3	Confident	78 Å²	78	47.1 Å²	47.1	34%	0.339	26%	0.256	S	S	.	.	H	α-helix	trans	-64.9	-36.4	176.7	-177.1	170.9	178.6	166.4	0	110.3	C200 I201 F214 N215	K197-C200 WeakPolarHBondContact O-CB 3.12Å; K197-C200 PolarHBondContact O-N 3.49Å; K197-I201 HydrophobicContact CG-CD1 3.98Å; K197-I201 WeakPolarHBondContact O-CD1 3.1Å; K197-I201 VanDerWaalsContact O-CG1 3.24Å; K197-I201 WeakPolarHBondContact O-CG1 3.47Å; K197-I201 PolarHBondContact O-N 2.99Å; K197-F214 HydrophobicContact CD-CB 4.49Å; K197-F214 VanDerWaalsContact CE-O 3.23Å; K197-F214 WeakPolarHBondContact CE-O 3.01Å; K197-F214 HydrophobicContact CG-CB 4.34Å; K197-F214 PolarHBondContact NZ-O 3.11Å; K197-N215 PolarHBondContact NZ-OD1 3.45Å
198	E	87.9	Confident	79.2	Confident	130 Å²	130	50.3 Å²	50.3	61%	0.607	27%	0.267	S	S	*	.	H	α-helix	trans	-66.2	-50	179.7	-61.8	63.8	-141.8	0	0	110.6	S196 C200 I201 A202	S196-E198 WeakPolarHBondContact CB-OE2 3.33Å; S196-E198 PolarHBondContact O-N 2.74Å; E198-C200 VanDerWaalsContact C-N 3.32Å; E198-C200 PolarHBondContact O-N 2.66Å; E198-I201 PolarHBondContact O-N 3.38Å; E198-A202 WeakPolarHBondContact O-CB 3.41Å; E198-A202 PolarHBondContact O-N 2.74Å
199	D	85.9	Confident	79.4	Confident	87 Å²	87	51.9 Å²	51.9	47%	0.465	28%	0.276	S	S	.	.	H	α-helix	trans	-63.3	-38.3	175	-62.9	-47.9	0	0	0	111.6	W195 S196 A202 S203	W195-D199 HydrophobicContact CB-CB 4.07Å; W195-D199 HydrophobicContact CD2-CB 4.47Å; W195-D199 HydrophobicContact CE3-CB 3.92Å; S196-D199 WeakPolarHBondContact CB-OD2 3.37Å; S196-D199 WeakPolarHBondContact OG-CB 3.28Å; S196-D199 PolarHBondContact OG-N 2.94Å; S196-D199 PolarHBondContact OG-OD2 2.82Å; D199-A202 PolarHBondContact O-N 2.89Å; D199-S203 WeakPolarHBondContact O-CB 3.45Å; D199-S203 PolarHBondContact O-N 2.99Å
200	C	85.8	Confident	79.6	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.02	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-48	177.1	-177.6	0	0	0	0	111.3	S196 K197 E198 S203 V204 C219	S196-C200 WeakPolarHBondContact O-CB 3.46Å; S196-C200 PolarHBondContact O-N 2.92Å; K197-C200 WeakPolarHBondContact O-CB 3.12Å; K197-C200 PolarHBondContact O-N 3.49Å; E198-C200 VanDerWaalsContact C-N 3.32Å; E198-C200 PolarHBondContact O-N 2.66Å; C200-S203 WeakPolarHBondContact O-CB 3.44Å; C200-S203 PolarHBondContact O-N 2.99Å; C200-S203 VanDerWaalsContact O-N 3.17Å; C200-S203 PolarHBondContact O-OG 2.7Å; C200-V204 PolarHBondContact O-N 2.98Å; C200-C219 WeakPolarHBondContact CA-SG 3.39Å; C200-C219 HydrophobicContact CB-CB 3.53Å; C200-C219 WeakPolarHBondContact CB-SG 3.34Å; C200-C219 WeakPolarHBondContact SG-CB 3.1Å; C200-C219 PolarHBondContact SG-N 3.45Å; C200-C219 VanDerWaalsContact SG-N 3.36Å; C200-C219 CovalentContact SG-SG 2.04Å; C200-C219 PolarHBondContact SG-SG 3.43Å
201	I	86.2	Confident	79.7	Confident	54 Å²	54	62.2 Å²	62.2	28%	0.277	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-47.8	174.7	-69.3	162.9	0	0	0	110.4	K197 E198 S203 V204 Q209 F214	K197-I201 HydrophobicContact CG-CD1 3.98Å; K197-I201 WeakPolarHBondContact O-CD1 3.1Å; K197-I201 VanDerWaalsContact O-CG1 3.24Å; K197-I201 WeakPolarHBondContact O-CG1 3.47Å; K197-I201 PolarHBondContact O-N 2.99Å; E198-I201 PolarHBondContact O-N 3.38Å; I201-S203 PolarHBondContact O-N 2.88Å; I201-V204 PolarHBondContact O-N 2.93Å; I201-V204 VanDerWaalsContact O-N 3.14Å; I201-Q209 PolarHBondContact O-NE2 2.02Å; I201-Q209 VanDerWaalsContact O-NE2 3.1Å; I201-F214 HydrophobicContact CB-CE1 4.4Å; I201-F214 HydrophobicContact CB-CZ 4.38Å; I201-F214 HydrophobicContact CD1-CD2 4.45Å; I201-F214 HydrophobicContact CD1-CG 4.36Å; I201-F214 HydrophobicContact CG1-CD1 3.7Å; I201-F214 HydrophobicContact CG1-CD2 3.89Å; I201-F214 HydrophobicContact CG1-CE1 3.69Å; I201-F214 HydrophobicContact CG1-CE2 3.88Å; I201-F214 HydrophobicContact CG1-CG 3.8Å; I201-F214 HydrophobicContact CG1-CZ 3.77Å
202	A	82.5	Confident	79.9	Confident	86 Å²	86	59 Å²	59	71%	0.711	31%	0.312	S	S	*	.	H	α-helix	trans	-64.6	-17.9	178.3	0	0	0	0	0	114	E198 D199	E198-A202 WeakPolarHBondContact O-CB 3.41Å; E198-A202 PolarHBondContact O-N 2.74Å; D199-A202 PolarHBondContact O-N 2.89Å
203	S	75.3	Confident	80.5	Confident	8 Å²	8	61.3 Å²	61.3	6%	0.056	32%	0.324	C	S	.	.	H	α-helix	trans	-82.1	-24.3	175.9	82.7	0	0	0	0	114	W195 D199 C200 I201 D261 S263	W195-S203 VanDerWaalsContact CZ3-CB 3.48Å; D199-S203 WeakPolarHBondContact O-CB 3.45Å; D199-S203 PolarHBondContact O-N 2.99Å; C200-S203 WeakPolarHBondContact O-CB 3.44Å; C200-S203 PolarHBondContact O-N 2.99Å; C200-S203 VanDerWaalsContact O-N 3.17Å; C200-S203 PolarHBondContact O-OG 2.7Å; I201-S203 PolarHBondContact O-N 2.88Å; S203-D261 VanDerWaalsContact O-OD1 3.07Å; S203-S263 PolarHBondContact OG-OG 2.74Å
204	V	72.7	Confident	80.9	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.03	31%	0.312	C	S	.	.	S	Bend	trans	-92	131.9	-174.6	175.6	0	0	0	0	110.3	C200 I201 R208 Q209 M212 F214	C200-V204 PolarHBondContact O-N 2.98Å; I201-V204 PolarHBondContact O-N 2.93Å; I201-V204 VanDerWaalsContact O-N 3.14Å; V204-R208 HydrophobicContact CG1-CB 4.22Å; V204-Q209 HydrophobicContact CB-CG 4.11Å; V204-Q209 HydrophobicContact CG1-CG 3.85Å; V204-Q209 PolarHBondContact O-NE2 3.34Å; V204-M212 HydrophobicContact CG1-CG 4.29Å; V204-F214 HydrophobicContact CB-CZ 4.38Å; V204-F214 HydrophobicContact CG2-CE1 4.24Å; V204-F214 HydrophobicContact CG2-CZ 4.24Å
205	D	68.1	Low	80.9	Confident	32 Å²	32	64.5 Å²	64.5	17%	0.171	34%	0.335	C	S	.	.			trans	-45.4	121.8	171.2	-175.7	-18.7	0	0	0	110.9	D207 R208 Q209 L260	D205-D207 PolarHBondContact O-N 2.85Å; D205-D207 VanDerWaalsContact O-N 3.08Å; D205-D207 PolarHBondContact OD1-N 2.93Å; D205-R208 HydrophobicContact CB-CB 4.35Å; D205-R208 HydrophobicContact CB-CG 4.42Å; D205-R208 WeakPolarHBondContact O-CA 3.44Å; D205-R208 WeakPolarHBondContact O-CB 3.46Å; D205-R208 PolarHBondContact O-N 3.05Å; D205-Q209 PolarHBondContact O-N 3.45Å; D205-L260 HydrophobicContact CB-CB 4.45Å; D205-L260 HydrophobicContact CB-CD1 4.46Å; D205-L260 WeakPolarHBondContact OD2-CD1 3.48Å
206	P	77.3	Confident	81.2	Confident	98 Å²	98	62.9 Å²	62.9	64%	0.636	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-49.2	-37.8	-176.6	-31.1	36.5	0	0	0	114.5	R208 Q209	P206-R208 PolarHBondContact O-N 2.82Å; P206-R208 VanDerWaalsContact O-N 3.14Å; P206-Q209 PolarHBondContact O-N 3.12Å
207	D	72.3	Confident	81.2	Confident	122 Å²	122	61.9 Å²	61.9	65%	0.652	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-65.5	-18.4	180	-80.3	-21.9	0	0	0	113.6	D205 K210	D205-D207 PolarHBondContact O-N 2.85Å; D205-D207 VanDerWaalsContact O-N 3.08Å; D205-D207 PolarHBondContact OD1-N 2.93Å; D207-K210 WeakPolarHBondContact O-CE 3.48Å; D207-K210 PolarHBondContact O-NZ 2.81Å; D207-K210 VanDerWaalsContact O-NZ 3.08Å
208	R	72.3	Confident	81.3	Confident	71 Å²	71	58.7 Å²	58.7	27%	0.268	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-109.5	-8.8	-175.7	-67.3	177.5	155.7	-159.8	-19.9	113.9	V204 D205 P206 K210 D211 L257	V204-R208 HydrophobicContact CG1-CB 4.22Å; D205-R208 HydrophobicContact CB-CB 4.35Å; D205-R208 HydrophobicContact CB-CG 4.42Å; D205-R208 WeakPolarHBondContact O-CA 3.44Å; D205-R208 WeakPolarHBondContact O-CB 3.46Å; D205-R208 PolarHBondContact O-N 3.05Å; P206-R208 PolarHBondContact O-N 2.82Å; P206-R208 VanDerWaalsContact O-N 3.14Å; R208-K210 PolarHBondContact O-N 2.97Å; R208-K210 VanDerWaalsContact O-N 3.17Å; R208-D211 WeakPolarHBondContact O-CB 3.49Å; R208-D211 PolarHBondContact O-N 3.36Å; R208-L257 VanDerWaalsContact NH1-CB 3.26Å; R208-L257 VanDerWaalsContact NH1-CD2 3.27Å
209	Q	77.7	Confident	81.3	Confident	62 Å²	62	52.6 Å²	52.6	29%	0.29	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-59.3	-28.9	176.5	-68	-179	12.3	0	0	112.3	I201 V204 D205 P206 D211 M212 F214	I201-Q209 PolarHBondContact O-NE2 2.02Å; I201-Q209 VanDerWaalsContact O-NE2 3.1Å; V204-Q209 HydrophobicContact CB-CG 4.11Å; V204-Q209 HydrophobicContact CG1-CG 3.85Å; V204-Q209 PolarHBondContact O-NE2 3.34Å; D205-Q209 PolarHBondContact O-N 3.45Å; P206-Q209 PolarHBondContact O-N 3.12Å; Q209-D211 VanDerWaalsContact C-N 3.25Å; Q209-D211 PolarHBondContact O-N 3.32Å; Q209-M212 PolarHBondContact O-N 3.15Å; Q209-F214 HydrophobicContact CB-CE2 4.33Å; Q209-F214 HydrophobicContact CG-CZ 4.44Å
210	K	78.6	Confident	81.1	Confident	167 Å²	167	48.4 Å²	48.4	73%	0.726	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-66.4	-19.5	173.4	73.5	-167.5	-179.1	-149	0	115	D207 R208	D207-K210 WeakPolarHBondContact O-CE 3.48Å; D207-K210 PolarHBondContact O-NZ 2.81Å; D207-K210 VanDerWaalsContact O-NZ 3.08Å; R208-K210 PolarHBondContact O-N 2.97Å; R208-K210 VanDerWaalsContact O-N 3.17Å
211	D	73.5	Confident	80.2	Confident	70 Å²	70	48.4 Å²	48.4	37%	0.374	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-90.7	-13.3	179.5	-75	-67.1	0	0	0	112.5	K128 R208 Q209	K128-D211 IonicContact NZ-OD1 3.58Å; K128-D211 PolarHBondContact NZ-OD1 2.87Å; R208-D211 WeakPolarHBondContact O-CB 3.49Å; R208-D211 PolarHBondContact O-N 3.36Å; Q209-D211 VanDerWaalsContact C-N 3.25Å; Q209-D211 PolarHBondContact O-N 3.32Å
212	M	78.2	Confident	78.6	Confident	24 Å²	24	48 Å²	48	12%	0.118	26%	0.261	C	S	.	.			trans	-93.8	139.3	178.8	-69.3	-68.2	-57.7	0	0	111.8	V204 Q209 F214 Q217 F252 K265	V204-M212 HydrophobicContact CG1-CG 4.29Å; Q209-M212 PolarHBondContact O-N 3.15Å; M212-F214 HydrophobicContact CB-CD2 4Å; M212-F214 HydrophobicContact CB-CE1 4.15Å; M212-F214 HydrophobicContact CB-CE2 3.51Å; M212-F214 HydrophobicContact CB-CZ 3.61Å; M212-F214 HydrophobicContact CE-CE1 4.24Å; M212-F214 HydrophobicContact CG-CE1 4.37Å; M212-F214 HydrophobicContact CG-CE2 4.31Å; M212-F214 HydrophobicContact CG-CZ 3.92Å; M212-Q217 HydrophobicContact CE-CB 3.84Å; M212-F252 HydrophobicContact SD-CE2 4.27Å; M212-F252 HydrophobicContact SD-CZ 3.7Å; M212-K265 HydrophobicContact CE-CG 3.75Å; M212-K265 HydrophobicContact SD-CG 4.19Å
213	D	87.5	Confident	77	Confident	50 Å²	50	46.7 Å²	46.7	27%	0.267	26%	0.255	S	S	.	.			trans	-106.6	91.2	163.1	174.8	18.3	0	0	0	110.1	P132 N215 T216 Q217	P132-D213 HydrophobicContact CB-CB 3.98Å; P132-D213 HydrophobicContact CG-CB 4.45Å; D213-N215 PolarHBondContact O-N 3.41Å; D213-N215 VanDerWaalsContact OD1-CB 3.28Å; D213-N215 WeakPolarHBondContact OD1-CB 3.37Å; D213-N215 PolarHBondContact OD1-N 3.29Å; D213-N215 PolarHBondContact OD1-ND2 2.83Å; D213-N215 VanDerWaalsContact OD1-ND2 3.15Å; D213-T216 PolarHBondContact O-N 3.11Å; D213-T216 WeakPolarHBondContact OD2-CB 3.37Å; D213-T216 VanDerWaalsContact OD2-CG2 3.22Å; D213-T216 WeakPolarHBondContact OD2-CG2 3.42Å; D213-T216 PolarHBondContact OD2-OG1 3.17Å; D213-Q217 WeakPolarHBondContact O-CB 3.24Å; D213-Q217 PolarHBondContact O-N 2.05Å
214	F	87.1	Confident	75.2	Confident	32 Å²	32	53.9 Å²	53.9	14%	0.14	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	11.4	176.5	-55.8	-84.8	0	0	0	114.6	K197 I201 V204 Q209 M212	K197-F214 HydrophobicContact CD-CB 4.49Å; K197-F214 VanDerWaalsContact CE-O 3.23Å; K197-F214 WeakPolarHBondContact CE-O 3.01Å; K197-F214 HydrophobicContact CG-CB 4.34Å; K197-F214 PolarHBondContact NZ-O 3.11Å; I201-F214 HydrophobicContact CB-CE1 4.4Å; I201-F214 HydrophobicContact CB-CZ 4.38Å; I201-F214 HydrophobicContact CD1-CD2 4.45Å; I201-F214 HydrophobicContact CD1-CG 4.36Å; I201-F214 HydrophobicContact CG1-CD1 3.7Å; I201-F214 HydrophobicContact CG1-CD2 3.89Å; I201-F214 HydrophobicContact CG1-CE1 3.69Å; I201-F214 HydrophobicContact CG1-CE2 3.88Å; I201-F214 HydrophobicContact CG1-CG 3.8Å; I201-F214 HydrophobicContact CG1-CZ 3.77Å; V204-F214 HydrophobicContact CB-CZ 4.38Å; V204-F214 HydrophobicContact CG2-CE1 4.24Å; V204-F214 HydrophobicContact CG2-CZ 4.24Å; Q209-F214 HydrophobicContact CB-CE2 4.33Å; Q209-F214 HydrophobicContact CG-CZ 4.44Å; M212-F214 HydrophobicContact CB-CD2 4Å; M212-F214 HydrophobicContact CB-CE1 4.15Å; M212-F214 HydrophobicContact CB-CE2 3.51Å; M212-F214 HydrophobicContact CB-CZ 3.61Å; M212-F214 HydrophobicContact CE-CE1 4.24Å; M212-F214 HydrophobicContact CG-CE1 4.37Å; M212-F214 HydrophobicContact CG-CE2 4.31Å; M212-F214 HydrophobicContact CG-CZ 3.92Å
215	N	88.6	Confident	73.9	Confident	95 Å²	95	56.4 Å²	56.4	51%	0.508	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-28.7	164.2	-53.9	-56.6	0	0	0	112.2	K197 D213 K271	K197-N215 PolarHBondContact NZ-OD1 3.45Å; D213-N215 PolarHBondContact O-N 3.41Å; D213-N215 VanDerWaalsContact OD1-CB 3.28Å; D213-N215 WeakPolarHBondContact OD1-CB 3.37Å; D213-N215 PolarHBondContact OD1-N 3.29Å; D213-N215 PolarHBondContact OD1-ND2 2.83Å; D213-N215 VanDerWaalsContact OD1-ND2 3.15Å; N215-K271 WeakPolarHBondContact O-CG 3.16Å
216	T	90.5	Very high	72.8	Confident	23 Å²	23	55.7 Å²	55.7	14%	0.141	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-2.8	-179.2	66.3	0	0	0	0	114.3	D213 Y268 K271 Y272	D213-T216 PolarHBondContact O-N 3.11Å; D213-T216 WeakPolarHBondContact OD2-CB 3.37Å; D213-T216 VanDerWaalsContact OD2-CG2 3.22Å; D213-T216 WeakPolarHBondContact OD2-CG2 3.42Å; D213-T216 PolarHBondContact OD2-OG1 3.17Å; T216-Y268 WeakPolarHBondContact O-CB 3.43Å; T216-Y268 PolarHBondContact O-N 3.17Å; T216-K271 HydrophobicContact CG2-CB 4.31Å; T216-Y272 WeakPolarHBondContact CB-OH 3.43Å; T216-Y272 HydrophobicContact CG2-CE2 4.27Å; T216-Y272 PolarHBondContact OG1-OH 3.29Å
217	Q	90	Very high	71.2	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.7	174.2	-62.5	171.5	-54.2	0	0	110.6	G131 M212 D213 Y266	G131-Q217 PolarHBondContact O-NE2 3.32Å; M212-Q217 HydrophobicContact CE-CB 3.84Å; D213-Q217 WeakPolarHBondContact O-CB 3.24Å; D213-Q217 PolarHBondContact O-N 2.05Å; Q217-Y266 CarbonylContact C-O 3.6Å; Q217-Y266 WeakPolarHBondContact CA-O 3.34Å
218	I	90.4	Very high	70.1	Confident	11 Å²	11	47.2 Å²	47.2	6%	0.056	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	156.5	178.6	58.9	163.2	0	0	0	111.3	L162 V194 L236 K265 Y266 Y268	L162-I218 HydrophobicContact CD1-CB 4.02Å; L162-I218 HydrophobicContact CD1-CD1 3.91Å; L162-I218 HydrophobicContact CD1-CG2 3.43Å; L162-I218 VanDerWaalsContact CD1-CG2 3.43Å; V194-I218 HydrophobicContact CG1-CD1 4.38Å; I218-L236 HydrophobicContact CD1-CD2 4.07Å; I218-K265 WeakPolarHBondContact O-CA 3.38Å; I218-Y266 PolarHBondContact N-O 2.99Å; I218-Y266 PolarHBondContact O-N 3.24Å; I218-Y268 HydrophobicContact CD1-CD2 3.83Å; I218-Y268 HydrophobicContact CD1-CE2 4.38Å; I218-Y268 HydrophobicContact CG1-CD2 4.19Å; I218-Y268 HydrophobicContact CG2-CD1 4.27Å; I218-Y268 HydrophobicContact CG2-CD2 3.66Å; I218-Y268 HydrophobicContact CG2-CE2 4.24Å; I218-Y268 HydrophobicContact CG2-CG 3.69Å
219	C	87.2	Confident	68.8	Low	1 Å²	1	49.9 Å²	49.9	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	141.3	174.7	-60.7	0	0	0	0	111.5	W195 C200 S263 S264	W195-C219 HydrophobicContact CB-CB 4.27Å; W195-C219 PolarHBondContact N-O 3.21Å; C200-C219 WeakPolarHBondContact CA-SG 3.39Å; C200-C219 HydrophobicContact CB-CB 3.53Å; C200-C219 WeakPolarHBondContact CB-SG 3.34Å; C200-C219 WeakPolarHBondContact SG-CB 3.1Å; C200-C219 PolarHBondContact SG-N 3.45Å; C200-C219 VanDerWaalsContact SG-N 3.36Å; C200-C219 CovalentContact SG-SG 2.04Å; C200-C219 PolarHBondContact SG-SG 3.43Å; C219-S263 WeakPolarHBondContact CB-OG 3.07Å; C219-S263 PolarHBondContact SG-OG 2.92Å; C219-S263 VanDerWaalsContact SG-OG 3.39Å; C219-S264 WeakPolarHBondContact CA-O 3.36Å
220	A	80.7	Confident	67.3	Low	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.9	164.5	0	0	0	0	0	111.7	V192 S193 V194 L236 S264 Y266	V192-A220 HydrophobicContact CB-CB 4.25Å; V192-A220 HydrophobicContact CG2-CB 3.99Å; S193-A220 CarbonylContact O-C 3.53Å; S193-A220 WeakPolarHBondContact O-CA 3.24Å; S193-A220 WeakPolarHBondContact O-CB 3.33Å; V194-A220 HydrophobicContact CG2-CB 4.09Å; A220-L236 HydrophobicContact CB-CD2 4.39Å; A220-S264 PolarHBondContact N-O 2.97Å; A220-S264 PolarHBondContact O-N 2.61Å; A220-Y266 HydrophobicContact CB-CD2 4.08Å; A220-Y266 HydrophobicContact CB-CE2 3.58Å
221	G	67.4	Low	66.4	Low	3 Å²	3	40.7 Å²	40.7	3%	0.031	22%	0.218	C	C	.	.			trans	160.6	162.2	175.9	0	0	0	0	0	113.2	S193 W195 E225	S193-G221 PolarHBondContact O-N 3.36Å; W195-G221 PolarHBondContact NE1-O 2.68Å; G221-E225 CarbonylContact C-O 3.5Å; G221-E225 VanDerWaalsContact CA-O 3.28Å; G221-E225 WeakPolarHBondContact CA-O 3.48Å
222	T	53.2	Low	66.3	Low	46 Å²	46	38.2 Å²	38.2	28%	0.282	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-119.4	80.3	175.1	36.4	0	0	0	0	109.9	S193 R224 E225	S193-T222 WeakPolarHBondContact OG-CG2 3.18Å; T222-R224 PolarHBondContact O-N 2.73Å; T222-E225 WeakPolarHBondContact CB-OE2 3.43Å; T222-E225 PolarHBondContact N-O 3.15Å; T222-E225 WeakPolarHBondContact O-CB 3.41Å; T222-E225 WeakPolarHBondContact O-CG 3.44Å; T222-E225 PolarHBondContact O-N 3Å; T222-E225 WeakPolarHBondContact OG1-CB 3.35Å; T222-E225 PolarHBondContact OG1-OE2 3.36Å
223	G	48.5	Very low	66.3	Low	57 Å²	57	37.1 Å²	37.1	59%	0.588	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	70	-96.1	179.1	0	0	0	0	0	113.3
224	R	38.1	Very low	66.2	Low	159 Å²	159	34.7 Å²	34.7	60%	0.6	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	7.4	177.7	-71.5	-175.5	173.3	-173	-5.7	113.2	T222 R999	T222-R224 PolarHBondContact O-N 2.73Å; R224-R999 VanDerWaalsContact NH1-CB 3.29Å; R224-R999 VanDerWaalsContact NH1-CG 3.33Å
225	E	45.7	Very low	66.4	Low	59 Å²	59	33.5 Å²	33.5	28%	0.276	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-112.7	120	-169.6	-51.9	175.2	157.7	0	0	108.7	G29 G221 T222	G29-E225 VanDerWaalsContact CA-OE1 3.23Å; G29-E225 WeakPolarHBondContact CA-OE1 3.24Å; G29-E225 PolarHBondContact N-OE1 2.05Å; G221-E225 CarbonylContact C-O 3.5Å; G221-E225 VanDerWaalsContact CA-O 3.28Å; G221-E225 WeakPolarHBondContact CA-O 3.48Å; T222-E225 WeakPolarHBondContact CB-OE2 3.43Å; T222-E225 PolarHBondContact N-O 3.15Å; T222-E225 WeakPolarHBondContact O-CB 3.41Å; T222-E225 WeakPolarHBondContact O-CG 3.44Å; T222-E225 PolarHBondContact O-N 3Å; T222-E225 WeakPolarHBondContact OG1-CB 3.35Å; T222-E225 PolarHBondContact OG1-OE2 3.36Å
226	G	44.9	Very low	66.5	Low	16 Å²	16	29 Å²	29	17%	0.165	16%	0.16	C	C	.	.			trans	-170	167.7	-175.1	0	0	0	0	0	110.4
227	S	43.8	Very low	66.7	Low	4 Å²	4	27.9 Å²	27.9	3%	0.028	15%	0.153	C	C	.	.			trans	-59.5	137.7	-179.1	54.8	0	0	0	0	112.9	S264	S227-S264 PolarHBondContact N-OG 2.8Å; S227-S264 VanDerWaalsContact N-OG 3.14Å; S227-S264 WeakPolarHBondContact OG-CB 3.2Å; S227-S264 PolarHBondContact OG-OG 2.81Å
228	Q	47.5	Very low	66.8	Low	38 Å²	38	27.7 Å²	27.7	18%	0.178	15%	0.153	C	C	.	.			trans	-113.8	170.2	-178.1	-64	-178.7	47.3	0	0	111.6	K175 G230 D231	K175-Q228 PolarHBondContact O-OE1 3.44Å; Q228-G230 PolarHBondContact O-N 3.14Å; Q228-G230 VanDerWaalsContact O-N 3.16Å; Q228-D231 PolarHBondContact N-OD2 3.26Å; Q228-D231 WeakPolarHBondContact O-CB 3.25Å; Q228-D231 PolarHBondContact O-N 3.37Å
229	K	45.4	Very low	66.8	Low	128 Å²	128	30.9 Å²	30.9	56%	0.557	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	121.3	-175.7	-168.5	158.5	-167.9	139.9	0	111.8	K175	K175-K229 WeakPolarHBondContact CG-O 3.25Å; K175-K229 PolarHBondContact N-O 2.89Å
230	G	46.7	Very low	66.9	Low	14 Å²	14	32.8 Å²	32.8	14%	0.144	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.8	-10.1	-173.9	0	0	0	0	0	114.6	Q228 S232	Q228-G230 PolarHBondContact O-N 3.14Å; Q228-G230 VanDerWaalsContact O-N 3.16Å; G230-S232 VanDerWaalsContact C-N 3.25Å
231	D	60.1	Low	67.1	Low	21 Å²	21	41.5 Å²	41.5	11%	0.112	21%	0.214	C	C	.	.			trans	-81.7	-8.9	162.2	-59.6	-41	0	0	0	111.9	G172 G174 Q228 G233 G234 V250	G172-D231 WeakPolarHBondContact CA-OD1 3.4Å; G174-D231 WeakPolarHBondContact CA-OD1 3.49Å; G174-D231 PolarHBondContact N-OD1 3.38Å; Q228-D231 PolarHBondContact N-OD2 3.26Å; Q228-D231 WeakPolarHBondContact O-CB 3.25Å; Q228-D231 PolarHBondContact O-N 3.37Å; D231-G233 PolarHBondContact O-N 2.88Å; D231-G234 WeakPolarHBondContact O-CA 3.29Å; D231-G234 PolarHBondContact O-N 2.87Å; D231-V250 HydrophobicContact CB-CG1 4.31Å; D231-V250 WeakPolarHBondContact O-CB 3.41Å
232	S	71	Confident	67.9	Low	19 Å²	19	47.2 Å²	47.2	13%	0.133	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-37.1	127.9	173	-71.4	0	0	0	0	112.9	C58 G59 H79 G230 G234	C58-S232 CarbonylContact C-O 3.56Å; C58-S232 WeakPolarHBondContact CA-O 3.22Å; C58-S232 VanDerWaalsContact CB-O 3.24Å; C58-S232 WeakPolarHBondContact CB-O 3.48Å; G59-S232 PolarHBondContact N-O 3.27Å; H79-S232 WeakPolarHBondContact NE2-CB 3.42Å; H79-S232 PolarHBondContact NE2-OG 2.85Å; G230-S232 VanDerWaalsContact C-N 3.25Å; S232-G234 PolarHBondContact O-N 2.88Å
233	G	78.1	Confident	69.7	Low	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-8.2	-177.3	0	0	0	0	0	115.6	G59 T76 D231 V250	G59-G233 CarbonylContact C-O 3.52Å; G59-G233 CarbonylContact O-C 3.55Å; G59-G233 VanDerWaalsContact O-C 3.22Å; G59-G233 WeakPolarHBondContact O-CA 3.13Å; T76-G233 WeakPolarHBondContact OG1-CA 3.43Å; D231-G233 PolarHBondContact O-N 2.88Å; G233-V250 PolarHBondContact N-O 3.37Å
234	G	85.1	Confident	71.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.224	C	C	.	.			trans	-63.2	150.6	173.4	0	0	0	0	0	112.8	D231 S232 I249 V250	D231-G234 WeakPolarHBondContact O-CA 3.29Å; D231-G234 PolarHBondContact O-N 2.87Å; S232-G234 PolarHBondContact O-N 2.88Å; G234-I249 WeakPolarHBondContact O-CA 3.18Å; G234-V250 WeakPolarHBondContact O-CG2 3.08Å; G234-V250 PolarHBondContact O-N 2.96Å
235	A	91.6	Very high	74.5	Confident	6 Å²	6	41.8 Å²	41.8	5%	0.05	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.3	-179.1	0	0	0	0	0	112.4	V237 Q246	A235-V237 HydrophobicContact CB-CG1 3.74Å; A235-Q246 HydrophobicContact CB-CG 3.94Å
236	L	91.5	Very high	76.9	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	104.1	160.4	173.4	65.9	0	0	0	108	C168 Y169 V170 V192 V194 I218 A220 Q246 F247 G248 Y266	C168-L236 HydrophobicContact CB-CD1 3.95Å; Y169-L236 WeakPolarHBondContact O-CA 3.36Å; V170-L236 HydrophobicContact CG2-CB 4.29Å; V170-L236 HydrophobicContact CG2-CD1 3.69Å; V192-L236 HydrophobicContact CG2-CD1 3.37Å; V194-L236 HydrophobicContact CG2-CD2 4.13Å; I218-L236 HydrophobicContact CD1-CD2 4.07Å; A220-L236 HydrophobicContact CB-CD2 4.39Å; L236-Q246 CarbonylContact O-C 3.57Å; L236-Q246 WeakPolarHBondContact O-CA 3.17Å; L236-F247 PolarHBondContact O-N 3.47Å; L236-G248 PolarHBondContact N-O 3.27Å; L236-G248 PolarHBondContact O-N 3Å; L236-Y266 HydrophobicContact CB-CD1 3.78Å; L236-Y266 HydrophobicContact CB-CE1 3.98Å; L236-Y266 HydrophobicContact CD1-CE1 4.43Å; L236-Y266 HydrophobicContact CD2-CD1 3.91Å; L236-Y266 HydrophobicContact CD2-CD2 4.27Å; L236-Y266 HydrophobicContact CD2-CE1 4.24Å; L236-Y266 HydrophobicContact CD2-CG 3.95Å; L236-Y266 HydrophobicContact CG-CD1 4.38Å; L236-Y266 HydrophobicContact CG-CE1 4.45Å
237	V	93	Very high	79.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.1	-176.8	-58.3	0	0	0	0	110.7	F38 W40 V153 C168 Y169 A235 F244 I245 Q246	F38-V237 HydrophobicContact CE1-CG2 3.74Å; F38-V237 HydrophobicContact CZ-CG2 4.42Å; W40-V237 HydrophobicContact CZ2-CG2 4.48Å; V153-V237 HydrophobicContact CG2-CG1 3.77Å; C168-V237 CarbonylContact C-O 3.57Å; C168-V237 WeakPolarHBondContact CA-O 3.04Å; Y169-V237 PolarHBondContact N-O 3.11Å; Y169-V237 PolarHBondContact O-N 2.89Å; A235-V237 HydrophobicContact CB-CG1 3.74Å; V237-F244 HydrophobicContact CB-CB 4.4Å; V237-F244 HydrophobicContact CB-CD1 4.35Å; V237-F244 HydrophobicContact CG2-CD1 3.93Å; V237-I245 CarbonylContact C-O 3.54Å; V237-I245 WeakPolarHBondContact CA-O 3.08Å; V237-Q246 HydrophobicContact CG1-CB 4.35Å
238	C	92.9	Very high	81.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.2	176.6	-56.2	0	0	0	0	109.9	P163 E167 C168 I240 I245 F247	P163-C238 HydrophobicContact CB-CB 4.28Å; P163-C238 HydrophobicContact CG-CB 4.3Å; P163-C238 WeakPolarHBondContact CG-SG 3.47Å; E167-C238 WeakPolarHBondContact O-CA 3.2Å; C168-C238 HydrophobicContact CB-CB 4.07Å; C168-C238 WeakPolarHBondContact CB-SG 3.21Å; C168-C238 WeakPolarHBondContact SG-CB 3.29Å; C168-C238 CovalentContact SG-SG 2.04Å; C168-C238 PolarHBondContact SG-SG 3.26Å; C238-I240 HydrophobicContact CB-CD1 4.23Å; C238-I240 PolarHBondContact O-N 2.7Å; C238-I245 PolarHBondContact N-O 3.36Å; C238-I245 PolarHBondContact O-N 3.45Å; C238-F247 HydrophobicContact CB-CD2 3.78Å; C238-F247 HydrophobicContact CB-CE2 4.13Å
239	K	90.4	Very high	83.7	Confident	77 Å²	77	36.7 Å²	36.7	34%	0.335	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	100.1	176.1	-173.9	-173.7	173.8	-169.9	0	109.1	E167 K241 R243 F244	E167-K239 HydrophobicContact CB-CB 4.43Å; E167-K239 PolarHBondContact O-N 2.79Å; K239-K241 VanDerWaalsContact CE-O 3.27Å; K239-K241 WeakPolarHBondContact CE-O 3.41Å; K239-K241 WeakPolarHBondContact CG-O 3.27Å; K239-R243 WeakPolarHBondContact CA-O 3.28Å; K239-F244 HydrophobicContact CB-CD1 4.15Å; K239-F244 HydrophobicContact CB-CE1 3.83Å; K239-F244 HydrophobicContact CB-CZ 4.16Å; K239-F244 HydrophobicContact CD-CZ 4.22Å; K239-F244 HydrophobicContact CG-CE1 4.37Å; K239-F244 HydrophobicContact CG-CE2 4.49Å; K239-F244 HydrophobicContact CG-CZ 4.22Å
240	I	89.8	Confident	85.7	Confident	41 Å²	41	30.8 Å²	30.8	21%	0.21	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.1	175.6	-52.1	-56.9	0	0	0	108	P163 E166 C238 D242 R243 I245 F247	P163-I240 HydrophobicContact CB-CD1 4.25Å; E166-I240 HydrophobicContact CB-CD1 3.95Å; E166-I240 HydrophobicContact CG-CD1 3.54Å; C238-I240 HydrophobicContact CB-CD1 4.23Å; C238-I240 PolarHBondContact O-N 2.7Å; I240-D242 PolarHBondContact O-N 2.95Å; I240-R243 PolarHBondContact N-O 3.01Å; I240-R243 PolarHBondContact O-N 3.07Å; I240-R243 VanDerWaalsContact O-N 3.16Å; I240-I245 HydrophobicContact CB-CD1 3.86Å; I240-I245 HydrophobicContact CB-CG1 4.44Å; I240-I245 HydrophobicContact CG1-CD1 3.97Å; I240-I245 HydrophobicContact CG1-CG1 4.4Å; I240-I245 HydrophobicContact CG2-CD1 4.48Å; I240-F247 HydrophobicContact CD1-CE2 4.19Å; I240-F247 HydrophobicContact CG1-CE2 3.82Å; I240-F247 HydrophobicContact CG1-CZ 4.35Å
241	K	85	Confident	87.3	Confident	184 Å²	184	30.3 Å²	30.3	80%	0.8	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	-118.7	-166.6	-52.8	175.4	-177.6	179.4	0	109.3	K239	K239-K241 VanDerWaalsContact CE-O 3.27Å; K239-K241 WeakPolarHBondContact CE-O 3.41Å; K239-K241 WeakPolarHBondContact CG-O 3.27Å
242	D	83.9	Confident	87.8	Confident	123 Å²	123	29.7 Å²	29.7	66%	0.658	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	5.1	-179.6	-56.6	-55.3	0	0	0	114.3	L15 I240	L15-D242 WeakPolarHBondContact CD2-O 3.34Å; I240-D242 PolarHBondContact O-N 2.95Å
243	R	90.1	Very high	86.9	Confident	107 Å²	107	29 Å²	29	40%	0.404	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.5	-176.3	-60.5	-176.2	-170.6	-78.3	-2.9	112.5	C13 L15 K239 I240	C13-R243 PolarHBondContact O-NH1 3.16Å; L15-R243 HydrophobicContact CG-CG 4.49Å; K239-R243 WeakPolarHBondContact CA-O 3.28Å; I240-R243 PolarHBondContact N-O 3.01Å; I240-R243 PolarHBondContact O-N 3.07Å; I240-R243 VanDerWaalsContact O-N 3.16Å
244	F	93.2	Very high	85.4	Confident	14 Å²	14	31 Å²	31	6%	0.061	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	121.5	166.6	-69.7	-87.5	0	0	0	110.5	G14 P16 P20 W40 V153 C154 Y169 V237 K239	G14-F244 VanDerWaalsContact CA-O 3.27Å; G14-F244 WeakPolarHBondContact CA-O 3.34Å; G14-F244 WeakPolarHBondContact O-CD2 3.37Å; G14-F244 PolarHBondContact O-N 3.23Å; P16-F244 HydrophobicContact CG-CD2 4.37Å; P16-F244 HydrophobicContact CG-CE2 4.22Å; P20-F244 HydrophobicContact CG-CE2 4.16Å; P20-F244 HydrophobicContact CG-CZ 3.79Å; W40-F244 HydrophobicContact CH2-CB 3.66Å; W40-F244 AromaticContact CH2-CD2 3.69Å; W40-F244 HydrophobicContact CH2-CD2 3.69Å; W40-F244 AromaticContact CH2-CG 3.74Å; W40-F244 HydrophobicContact CH2-CG 3.74Å; W40-F244 HydrophobicContact CZ2-CB 3.81Å; W40-F244 HydrophobicContact CZ2-CD1 4.42Å; W40-F244 HydrophobicContact CZ2-CD2 4.26Å; W40-F244 AromaticContact CZ2-CG 3.91Å; W40-F244 HydrophobicContact CZ2-CG 3.91Å; W40-F244 HydrophobicContact CZ3-CB 4.44Å; V153-F244 WeakPolarHBondContact CG2-O 3.47Å; C154-F244 PolarHBondContact N-O 2.9Å; Y169-F244 AromaticContact CD2-CE1 3.8Å; Y169-F244 HydrophobicContact CD2-CE1 3.8Å; Y169-F244 AromaticContact CE2-CE1 3.9Å; Y169-F244 HydrophobicContact CE2-CE1 3.9Å; V237-F244 HydrophobicContact CB-CB 4.4Å; V237-F244 HydrophobicContact CB-CD1 4.35Å; V237-F244 HydrophobicContact CG2-CD1 3.93Å; K239-F244 HydrophobicContact CB-CD1 4.15Å; K239-F244 HydrophobicContact CB-CE1 3.83Å; K239-F244 HydrophobicContact CB-CZ 4.16Å; K239-F244 HydrophobicContact CD-CZ 4.22Å; K239-F244 HydrophobicContact CG-CE1 4.37Å; K239-F244 HydrophobicContact CG-CE2 4.49Å; K239-F244 HydrophobicContact CG-CZ 4.22Å
245	I	95.3	Very high	83.4	Confident	26 Å²	26	33.1 Å²	33.1	13%	0.133	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.9	-179.6	-53.7	-176.5	0	0	0	108.6	C154 P156 V237 C238 I240 F247	C154-I245 HydrophobicContact CB-CG1 4.17Å; C154-I245 WeakPolarHBondContact O-CA 3.35Å; P156-I245 HydrophobicContact CB-CG2 3.68Å; P156-I245 HydrophobicContact CG-CG2 4.41Å; V237-I245 CarbonylContact C-O 3.54Å; V237-I245 WeakPolarHBondContact CA-O 3.08Å; C238-I245 PolarHBondContact N-O 3.36Å; C238-I245 PolarHBondContact O-N 3.45Å; I240-I245 HydrophobicContact CB-CD1 3.86Å; I240-I245 HydrophobicContact CB-CG1 4.44Å; I240-I245 HydrophobicContact CG1-CD1 3.97Å; I240-I245 HydrophobicContact CG1-CG1 4.4Å; I240-I245 HydrophobicContact CG2-CD1 4.48Å; I245-F247 HydrophobicContact CB-CD2 4.25Å; I245-F247 HydrophobicContact CB-CE2 3.87Å; I245-F247 HydrophobicContact CG2-CD2 4.15Å; I245-F247 HydrophobicContact CG2-CE2 3.81Å; I245-F247 HydrophobicContact CG2-CZ 4.39Å; I245-F247 PolarHBondContact O-N 3.4Å
246	Q	95.6	Very high	81.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	100.8	-178.6	-177.2	174.3	3.3	0	0	111.6	S61 V153 C154 P156 A235 L236 V237 G248 V269	S61-Q246 PolarHBondContact OG-NE2 3.09Å; S61-Q246 PolarHBondContact OG-OE1 3.33Å; S61-Q246 VanDerWaalsContact OG-OE1 3.05Å; V153-Q246 HydrophobicContact CG1-CB 3.92Å; V153-Q246 VanDerWaalsContact CG1-OE1 3.26Å; V153-Q246 HydrophobicContact CG2-CB 4.04Å; C154-Q246 PolarHBondContact O-N 2.97Å; P156-Q246 WeakPolarHBondContact CD-O 3.37Å; P156-Q246 WeakPolarHBondContact CG-O 3.4Å; A235-Q246 HydrophobicContact CB-CG 3.94Å; L236-Q246 CarbonylContact O-C 3.57Å; L236-Q246 WeakPolarHBondContact O-CA 3.17Å; V237-Q246 HydrophobicContact CG1-CB 4.35Å; Q246-G248 WeakPolarHBondContact CG-O 3.42Å; Q246-G248 PolarHBondContact NE2-O 3.08Å; Q246-V269 HydrophobicContact CG-CG2 4.32Å
247	F	95	Very high	78.4	Confident	11 Å²	11	37 Å²	37	5%	0.048	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-21.9	178	-81.4	-89.8	0	0	0	113.8	P156 A160 K161 P163 L236 C238 I240 I245 Y268 V269 P270	P156-F247 HydrophobicContact CB-CE1 4.37Å; A160-F247 HydrophobicContact CB-CE1 3.85Å; A160-F247 HydrophobicContact CB-CZ 4.42Å; K161-F247 VanDerWaalsContact O-CE1 3.27Å; K161-F247 WeakPolarHBondContact O-CE1 3.04Å; P163-F247 HydrophobicContact CB-CD2 4.29Å; P163-F247 HydrophobicContact CB-CE1 4.4Å; P163-F247 HydrophobicContact CB-CE2 4.13Å; P163-F247 HydrophobicContact CB-CG 4.47Å; P163-F247 HydrophobicContact CB-CZ 4.18Å; P163-F247 HydrophobicContact CG-CB 4.08Å; P163-F247 HydrophobicContact CG-CD1 3.85Å; P163-F247 HydrophobicContact CG-CD2 3.84Å; P163-F247 HydrophobicContact CG-CE1 4.18Å; P163-F247 HydrophobicContact CG-CE2 4.17Å; P163-F247 HydrophobicContact CG-CG 3.65Å; P163-F247 HydrophobicContact CG-CZ 4.32Å; L236-F247 PolarHBondContact O-N 3.47Å; C238-F247 HydrophobicContact CB-CD2 3.78Å; C238-F247 HydrophobicContact CB-CE2 4.13Å; I240-F247 HydrophobicContact CD1-CE2 4.19Å; I240-F247 HydrophobicContact CG1-CE2 3.82Å; I240-F247 HydrophobicContact CG1-CZ 4.35Å; I245-F247 HydrophobicContact CB-CD2 4.25Å; I245-F247 HydrophobicContact CB-CE2 3.87Å; I245-F247 HydrophobicContact CG2-CD2 4.15Å; I245-F247 HydrophobicContact CG2-CE2 3.81Å; I245-F247 HydrophobicContact CG2-CZ 4.39Å; I245-F247 PolarHBondContact O-N 3.4Å; F247-Y268 HydrophobicContact CD1-CE2 4.19Å; F247-Y268 WeakPolarHBondContact O-CD2 3.47Å; F247-V269 PolarHBondContact O-N 3.11Å; F247-P270 HydrophobicContact CD1-CG 4.08Å; F247-P270 HydrophobicContact CE1-CG 4.48Å
248	G	92.7	Very high	75.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	166.5	-177.8	0	0	0	0	0	114.8	L236 Q246 T267	L236-G248 PolarHBondContact N-O 3.27Å; L236-G248 PolarHBondContact O-N 3Å; Q246-G248 WeakPolarHBondContact CG-O 3.42Å; Q246-G248 PolarHBondContact NE2-O 3.08Å; G248-T267 VanDerWaalsContact CA-O 3.25Å; G248-T267 WeakPolarHBondContact CA-O 3.47Å
249	I	92.1	Very high	73.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131	169.9	-59.3	165.1	0	0	0	106.8	L75 A77 I135 G234 S251 Y266 T267 V269	L75-I249 HydrophobicContact CD1-CD1 4.01Å; L75-I249 HydrophobicContact CD2-CD1 4.02Å; L75-I249 HydrophobicContact CD2-CG1 4.44Å; L75-I249 HydrophobicContact CG-CD1 3.74Å; L75-I249 HydrophobicContact CG-CG1 4.39Å; A77-I249 HydrophobicContact CB-CG2 3.98Å; I135-I249 HydrophobicContact CB-CD1 4.28Å; I135-I249 HydrophobicContact CD1-CD1 3.85Å; I135-I249 HydrophobicContact CG1-CD1 3.6Å; G234-I249 WeakPolarHBondContact O-CA 3.18Å; I249-S251 PolarHBondContact O-N 3.12Å; I249-S251 VanDerWaalsContact O-N 3.09Å; I249-Y266 CarbonylContact O-C 3.59Å; I249-Y266 WeakPolarHBondContact O-CA 3.37Å; I249-Y266 WeakPolarHBondContact O-CB 3.49Å; I249-T267 PolarHBondContact N-O 2.92Å; I249-T267 VanDerWaalsContact N-O 3.16Å; I249-T267 PolarHBondContact O-N 3.03Å; I249-V269 HydrophobicContact CD1-CG2 3.99Å; I249-V269 HydrophobicContact CG1-CG2 3.76Å
250	V	87.4	Confident	70.6	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	113	176.9	176	0	0	0	0	109.3	V170 D231 G233 G234 Y266	V170-V250 HydrophobicContact CG1-CG2 3.55Å; D231-V250 HydrophobicContact CB-CG1 4.31Å; D231-V250 WeakPolarHBondContact O-CB 3.41Å; G233-V250 PolarHBondContact N-O 3.37Å; G234-V250 WeakPolarHBondContact O-CG2 3.08Å; G234-V250 PolarHBondContact O-N 2.96Å; V250-Y266 HydrophobicContact CB-CD1 4.47Å; V250-Y266 HydrophobicContact CB-CE1 4.4Å; V250-Y266 HydrophobicContact CG2-CD1 4.06Å; V250-Y266 HydrophobicContact CG2-CE1 3.62Å
251	S	80.6	Confident	68.8	Low	5 Å²	5	44.5 Å²	44.5	4%	0.035	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-65.4	-178.6	-178.5	0	0	0	0	110.7	H79 D134 I249 K265	H79-S251 PolarHBondContact CE1-O 2.91Å; D134-S251 WeakPolarHBondContact CB-OG 3.39Å; D134-S251 WeakPolarHBondContact OD2-CA 3.38Å; D134-S251 VanDerWaalsContact OD2-CB 3.29Å; D134-S251 WeakPolarHBondContact OD2-CB 3.39Å; D134-S251 PolarHBondContact OD2-OG 2.78Å; I249-S251 PolarHBondContact O-N 3.12Å; I249-S251 VanDerWaalsContact O-N 3.09Å; S251-K265 PolarHBondContact N-O 3.07Å; S251-K265 VanDerWaalsContact N-O 3.09Å
252	F	68.8	Low	67.3	Low	7 Å²	7	42.6 Å²	42.6	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.3	175.5	54	-89.1	0	0	0	112.4	F130 M212 L257 K265	F130-F252 HydrophobicContact CB-CD1 4.07Å; F130-F252 HydrophobicContact CB-CE1 3.96Å; F130-F252 HydrophobicContact CB-CE2 4.47Å; F130-F252 HydrophobicContact CB-CG 4.38Å; F130-F252 HydrophobicContact CB-CZ 4.16Å; F130-F252 HydrophobicContact CD1-CB 3.66Å; F130-F252 HydrophobicContact CD1-CD1 4.01Å; F130-F252 HydrophobicContact CD1-CD2 4.18Å; F130-F252 AromaticContact CD1-CG 3.71Å; F130-F252 HydrophobicContact CD1-CG 3.71Å; F130-F252 HydrophobicContact CE1-CB 4.1Å; F130-F252 VanDerWaalsContact O-CE1 3.3Å; F130-F252 WeakPolarHBondContact O-CE1 3.4Å; M212-F252 HydrophobicContact SD-CE2 4.27Å; M212-F252 HydrophobicContact SD-CZ 3.7Å; F252-L257 HydrophobicContact CD2-CD1 3.85Å; F252-L257 HydrophobicContact CE2-CD1 3.58Å; F252-K265 HydrophobicContact CD1-CB 4.28Å; F252-K265 HydrophobicContact CD2-CB 3.87Å; F252-K265 HydrophobicContact CD2-CD 4.46Å; F252-K265 HydrophobicContact CD2-CG 4.15Å; F252-K265 HydrophobicContact CE1-CB 4.06Å; F252-K265 HydrophobicContact CE2-CB 3.63Å; F252-K265 HydrophobicContact CE2-CD 4.07Å; F252-K265 HydrophobicContact CE2-CG 3.52Å; F252-K265 HydrophobicContact CG-CB 4.19Å; F252-K265 HydrophobicContact CZ-CB 3.74Å; F252-K265 HydrophobicContact CZ-CG 3.77Å; F252-K265 PolarHBondContact N-O 2.04Å; F252-K265 PolarHBondContact O-N 3.38Å
253	G	52.3	Low	66.4	Low	5 Å²	5	36.9 Å²	36.9	5%	0.052	20%	0.195	C	C	.	.			trans	-96.7	171	-178.3	0	0	0	0	0	113.1	E255 D256	G253-E255 PolarHBondContact O-N 3.19Å; G253-D256 PolarHBondContact N-OD2 2.82Å; G253-D256 PolarHBondContact O-N 2.79Å
254	S	46.3	Very low	65.6	Low	41 Å²	41	31.8 Å²	31.8	29%	0.287	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	1.9	161.4	53.9	0	0	0	0	113.9	D261	S254-D261 WeakPolarHBondContact CB-O 3.14Å
255	E	44.1	Very low	65.1	Low	46 Å²	46	31.1 Å²	31.1	22%	0.215	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-29	177.6	-45.5	-156.8	133.9	0	0	113.6	M178 G253 K1005	M178-E255 HydrophobicContact CE-CG 4.1Å; M178-E255 WeakPolarHBondContact CE-OE1 3.17Å; M178-E255 WeakPolarHBondContact CG-OE1 3.37Å; G253-E255 PolarHBondContact O-N 3.19Å; E255-K1005 IonicContact OE1-NZ 2.72Å; E255-K1005 PolarHBondContact OE1-NZ 2.87Å; E255-K1005 IonicContact OE2-NZ 3.28Å; E255-K1005 PolarHBondContact OE2-NZ 3Å
256	D	43.3	Very low	64.8	Low	63 Å²	63	29.9 Å²	29.9	34%	0.337	17%	0.167	S	C	.	.	S	Bend	trans	-80.9	-11.7	179.1	-54.3	-65.3	0	0	0	111.1	F130 G253	F130-D256 HydrophobicContact CD1-CB 4.3Å; F130-D256 HydrophobicContact CE1-CB 3.46Å; F130-D256 VanDerWaalsContact CE1-CB 3.46Å; F130-D256 HydrophobicContact CZ-CB 3.86Å; G253-D256 PolarHBondContact N-OD2 2.82Å; G253-D256 PolarHBondContact O-N 2.79Å
257	L	34.8	Very low	64.6	Low	25 Å²	25	29.9 Å²	29.9	13%	0.131	17%	0.167	C	C	.	.	S	Bend	trans	-127.9	137	-175.2	-65.4	-178.6	0	0	0	110.5	F130 R208 F252	F130-L257 HydrophobicContact CD2-CD2 4.43Å; R208-L257 VanDerWaalsContact NH1-CB 3.26Å; R208-L257 VanDerWaalsContact NH1-CD2 3.27Å; F252-L257 HydrophobicContact CD2-CD1 3.85Å; F252-L257 HydrophobicContact CE2-CD1 3.58Å
258	I	37.7	Very low	64.6	Low	64 Å²	64	30.3 Å²	30.3	33%	0.328	17%	0.168	S	C	.	.			trans	-42.3	138.4	-177.6	-59.2	157.8	0	0	0	112.5	L260 D261 R1016	I258-L260 PolarHBondContact O-N 2.92Å; I258-D261 PolarHBondContact O-N 2.8Å; I258-R1016 VanDerWaalsContact CD1-NH1 3.28Å
259	A	37.8	Very low	64.7	Low	89 Å²	89	30.3 Å²	30.3	74%	0.736	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.6	16.3	-171.1	0	0	0	0	0	121.2
260	L	37.5	Very low	64.9	Low	108 Å²	108	30.4 Å²	30.4	57%	0.565	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-30.4	168.3	-75	161.1	0	0	0	112.2	D205 I258	D205-L260 HydrophobicContact CB-CB 4.45Å; D205-L260 HydrophobicContact CB-CD1 4.46Å; D205-L260 WeakPolarHBondContact OD2-CD1 3.48Å; I258-L260 PolarHBondContact O-N 2.92Å
261	D	51.6	Low	65.2	Low	13 Å²	13	36.3 Å²	36.3	7%	0.07	19%	0.194	C	C	.	.			trans	-81.7	121.4	-168.2	-154.7	-9.9	0	0	0	112.2	S203 S254 I258 K265	S203-D261 VanDerWaalsContact O-OD1 3.07Å; S254-D261 WeakPolarHBondContact CB-O 3.14Å; I258-D261 PolarHBondContact O-N 2.8Å; D261-K265 IonicContact OD1-NZ 2.73Å; D261-K265 PolarHBondContact OD1-NZ 3.49Å; D261-K265 WeakPolarHBondContact OD2-CE 3.35Å; D261-K265 IonicContact OD2-NZ 3.14Å; D261-K265 PolarHBondContact OD2-NZ 2.86Å
262	K	54.3	Low	65.9	Low	145 Å²	145	36.8 Å²	36.8	63%	0.63	20%	0.195	S	C	*	.			trans	-95.7	-1.7	-165.4	-67.7	179.1	-176.1	167.6	0	115.6	W195	W195-K262 HydrophobicContact CH2-CB 4.03Å
263	S	64.9	Low	67.2	Low	2 Å²	2	37.8 Å²	37.8	1%	0.014	20%	0.201	C	C	.	.	S	Bend	trans	-138.4	157.2	-170.5	59.8	0	0	0	0	112.7	S203 C219 K265	S203-S263 PolarHBondContact OG-OG 2.74Å; C219-S263 WeakPolarHBondContact CB-OG 3.07Å; C219-S263 PolarHBondContact SG-OG 2.92Å; C219-S263 VanDerWaalsContact SG-OG 3.39Å; S263-K265 WeakPolarHBondContact O-CD 3.48Å; S263-K265 PolarHBondContact O-NZ 3.48Å; S263-K265 PolarHBondContact OG-NZ 2.84Å
264	S	72.8	Confident	69.2	Low	1 Å²	1	43.4 Å²	43.4	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	149.1	168.9	-72	0	0	0	0	111	C219 A220 S227 Y266	C219-S264 WeakPolarHBondContact CA-O 3.36Å; A220-S264 PolarHBondContact N-O 2.97Å; A220-S264 PolarHBondContact O-N 2.61Å; S227-S264 PolarHBondContact N-OG 2.8Å; S227-S264 VanDerWaalsContact N-OG 3.14Å; S227-S264 WeakPolarHBondContact OG-CB 3.2Å; S227-S264 PolarHBondContact OG-OG 2.81Å; S264-Y266 WeakPolarHBondContact O-CD2 3.24Å; S264-Y266 VanDerWaalsContact O-CE2 3.31Å; S264-Y266 WeakPolarHBondContact O-CE2 3.49Å
265	K	82	Confident	71.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.8	-173.9	-80	58	167.7	161.2	0	110.5	M212 I218 S251 F252 D261 S263	M212-K265 HydrophobicContact CE-CG 3.75Å; M212-K265 HydrophobicContact SD-CG 4.19Å; I218-K265 WeakPolarHBondContact O-CA 3.38Å; S251-K265 PolarHBondContact N-O 3.07Å; S251-K265 VanDerWaalsContact N-O 3.09Å; F252-K265 HydrophobicContact CD1-CB 4.28Å; F252-K265 HydrophobicContact CD2-CB 3.87Å; F252-K265 HydrophobicContact CD2-CD 4.46Å; F252-K265 HydrophobicContact CD2-CG 4.15Å; F252-K265 HydrophobicContact CE1-CB 4.06Å; F252-K265 HydrophobicContact CE2-CB 3.63Å; F252-K265 HydrophobicContact CE2-CD 4.07Å; F252-K265 HydrophobicContact CE2-CG 3.52Å; F252-K265 HydrophobicContact CG-CB 4.19Å; F252-K265 HydrophobicContact CZ-CB 3.74Å; F252-K265 HydrophobicContact CZ-CG 3.77Å; F252-K265 PolarHBondContact N-O 2.04Å; F252-K265 PolarHBondContact O-N 3.38Å; D261-K265 IonicContact OD1-NZ 2.73Å; D261-K265 PolarHBondContact OD1-NZ 3.49Å; D261-K265 WeakPolarHBondContact OD2-CE 3.35Å; D261-K265 IonicContact OD2-NZ 3.14Å; D261-K265 PolarHBondContact OD2-NZ 2.86Å; S263-K265 WeakPolarHBondContact O-CD 3.48Å; S263-K265 PolarHBondContact O-NZ 3.48Å; S263-K265 PolarHBondContact OG-NZ 2.84Å
266	Y	89	Confident	74	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.7	-175.3	-54.7	-104.5	0	0	0	110.5	V170 Q217 I218 A220 L236 I249 V250 S264 Y268	V170-Y266 HydrophobicContact CG2-CE1 3.71Å; Q217-Y266 CarbonylContact C-O 3.6Å; Q217-Y266 WeakPolarHBondContact CA-O 3.34Å; I218-Y266 PolarHBondContact N-O 2.99Å; I218-Y266 PolarHBondContact O-N 3.24Å; A220-Y266 HydrophobicContact CB-CD2 4.08Å; A220-Y266 HydrophobicContact CB-CE2 3.58Å; L236-Y266 HydrophobicContact CB-CD1 3.78Å; L236-Y266 HydrophobicContact CB-CE1 3.98Å; L236-Y266 HydrophobicContact CD1-CE1 4.43Å; L236-Y266 HydrophobicContact CD2-CD1 3.91Å; L236-Y266 HydrophobicContact CD2-CD2 4.27Å; L236-Y266 HydrophobicContact CD2-CE1 4.24Å; L236-Y266 HydrophobicContact CD2-CG 3.95Å; L236-Y266 HydrophobicContact CG-CD1 4.38Å; L236-Y266 HydrophobicContact CG-CE1 4.45Å; I249-Y266 CarbonylContact O-C 3.59Å; I249-Y266 WeakPolarHBondContact O-CA 3.37Å; I249-Y266 WeakPolarHBondContact O-CB 3.49Å; V250-Y266 HydrophobicContact CB-CD1 4.47Å; V250-Y266 HydrophobicContact CB-CE1 4.4Å; V250-Y266 HydrophobicContact CG2-CD1 4.06Å; V250-Y266 HydrophobicContact CG2-CE1 3.62Å; S264-Y266 WeakPolarHBondContact O-CD2 3.24Å; S264-Y266 VanDerWaalsContact O-CE2 3.31Å; S264-Y266 WeakPolarHBondContact O-CE2 3.49Å; Y266-Y268 PolarHBondContact O-N 3.17Å
267	T	92.6	Very high	76.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.6	170.3	-56.1	0	0	0	0	109.3	D134 I135 G248 I249 V269 Y272	D134-T267 WeakPolarHBondContact O-CB 3.24Å; D134-T267 PolarHBondContact O-OG1 3.12Å; I135-T267 HydrophobicContact CB-CG2 4.14Å; G248-T267 VanDerWaalsContact CA-O 3.25Å; G248-T267 WeakPolarHBondContact CA-O 3.47Å; I249-T267 PolarHBondContact N-O 2.92Å; I249-T267 VanDerWaalsContact N-O 3.16Å; I249-T267 PolarHBondContact O-N 3.03Å; T267-V269 PolarHBondContact O-N 2.74Å; T267-Y272 HydrophobicContact CG2-CD2 3.95Å; T267-Y272 HydrophobicContact CG2-CE2 3.46Å; T267-Y272 VanDerWaalsContact CG2-CE2 3.46Å
268	Y	94.2	Very high	79.3	Confident	20 Å²	20	43.3 Å²	43.3	8%	0.078	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	96.1	-171.2	-171.7	-136.9	0	0	0	111.9	A160 L162 T216 I218 F247 Y266 P270 K271 Y272	A160-Y268 PolarHBondContact O-OH 2.66Å; L162-Y268 HydrophobicContact CD1-CD2 4.32Å; L162-Y268 HydrophobicContact CD1-CE2 3.75Å; L162-Y268 PolarHBondContact N-OH 3.06Å; T216-Y268 WeakPolarHBondContact O-CB 3.43Å; T216-Y268 PolarHBondContact O-N 3.17Å; I218-Y268 HydrophobicContact CD1-CD2 3.83Å; I218-Y268 HydrophobicContact CD1-CE2 4.38Å; I218-Y268 HydrophobicContact CG1-CD2 4.19Å; I218-Y268 HydrophobicContact CG2-CD1 4.27Å; I218-Y268 HydrophobicContact CG2-CD2 3.66Å; I218-Y268 HydrophobicContact CG2-CE2 4.24Å; I218-Y268 HydrophobicContact CG2-CG 3.69Å; F247-Y268 HydrophobicContact CD1-CE2 4.19Å; F247-Y268 WeakPolarHBondContact O-CD2 3.47Å; Y266-Y268 PolarHBondContact O-N 3.17Å; Y268-P270 HydrophobicContact CD2-CG 4.14Å; Y268-P270 HydrophobicContact CE1-CB 4.25Å; Y268-P270 HydrophobicContact CE1-CG 4.24Å; Y268-P270 HydrophobicContact CE2-CG 3.67Å; Y268-K271 HydrophobicContact CD1-CG 3.82Å; Y268-K271 HydrophobicContact CE1-CG 4.36Å; Y268-K271 PolarHBondContact O-N 3.26Å; Y268-Y272 WeakPolarHBondContact O-CD2 3.27Å
269	V	95.4	Very high	82	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-53.7	-39.5	-170.1	177.5	0	0	0	0	115	L75 L155 P156 Q246 F247 I249 T267 K271 Y272 I273 I276	L75-V269 HydrophobicContact CD2-CG1 4.27Å; L75-V269 HydrophobicContact CD2-CG2 4.38Å; L155-V269 HydrophobicContact CD2-CG1 4.27Å; P156-V269 HydrophobicContact CG-CB 4.35Å; P156-V269 HydrophobicContact CG-CG1 4.03Å; Q246-V269 HydrophobicContact CG-CG2 4.32Å; F247-V269 PolarHBondContact O-N 3.11Å; I249-V269 HydrophobicContact CD1-CG2 3.99Å; I249-V269 HydrophobicContact CG1-CG2 3.76Å; T267-V269 PolarHBondContact O-N 2.74Å; V269-K271 PolarHBondContact O-N 3.4Å; V269-K271 VanDerWaalsContact O-N 3.07Å; V269-Y272 PolarHBondContact O-N 2.87Å; V269-I273 HydrophobicContact CG1-CD1 4.17Å; V269-I273 PolarHBondContact O-N 3.27Å; V269-I276 HydrophobicContact CG1-CD1 4.23Å
270	P	95.1	Very high	84.7	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.013	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-50.6	-35.1	177.9	-30.6	37.1	0	0	0	114.6	P156 K158 A160 F247 Y268 Y272 I273	P156-P270 HydrophobicContact CB-CG 3.98Å; P156-P270 HydrophobicContact CG-CB 4.39Å; P156-P270 HydrophobicContact CG-CG 3.67Å; K158-P270 WeakPolarHBondContact CA-O 3.47Å; A160-P270 HydrophobicContact CB-CB 4.36Å; A160-P270 HydrophobicContact CB-CG 4.15Å; F247-P270 HydrophobicContact CD1-CG 4.08Å; F247-P270 HydrophobicContact CE1-CG 4.48Å; Y268-P270 HydrophobicContact CD2-CG 4.14Å; Y268-P270 HydrophobicContact CE1-CB 4.25Å; Y268-P270 HydrophobicContact CE1-CG 4.24Å; Y268-P270 HydrophobicContact CE2-CG 3.67Å; P270-Y272 VanDerWaalsContact C-N 3.26Å; P270-Y272 PolarHBondContact O-N 3.07Å; P270-I273 WeakPolarHBondContact O-CG1 3.32Å
271	K	94.2	Very high	87.3	Confident	126 Å²	126	39.5 Å²	39.5	55%	0.548	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-74.3	-13.6	179.7	-64.1	-56.5	-173.1	-176.4	0	114.7	N215 T216 Y268 V269	N215-K271 WeakPolarHBondContact O-CG 3.16Å; T216-K271 HydrophobicContact CG2-CB 4.31Å; Y268-K271 HydrophobicContact CD1-CG 3.82Å; Y268-K271 HydrophobicContact CE1-CG 4.36Å; Y268-K271 PolarHBondContact O-N 3.26Å; V269-K271 PolarHBondContact O-N 3.4Å; V269-K271 VanDerWaalsContact O-N 3.07Å
272	Y	95.1	Very high	89.3	Confident	16 Å²	16	43 Å²	43	6%	0.063	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-108.7	3.7	-177.5	-65.3	-87.3	0	0	0	113.1	R133 I135 T216 T267 Y268 V269 P270 E274 W275 I276	R133-Y272 VanDerWaalsContact CA-OH 3.32Å; R133-Y272 WeakPolarHBondContact CA-OH 3.08Å; R133-Y272 HydrophobicContact CG-CE1 4.31Å; R133-Y272 PolarHBondContact N-OH 3.24Å; I135-Y272 HydrophobicContact CD1-CD1 4.3Å; I135-Y272 HydrophobicContact CD1-CD2 4.19Å; I135-Y272 HydrophobicContact CD1-CG 3.77Å; I135-Y272 HydrophobicContact CG2-CD1 3.79Å; I135-Y272 HydrophobicContact CG2-CE1 3.88Å; I135-Y272 HydrophobicContact CG2-CG 4.25Å; T216-Y272 WeakPolarHBondContact CB-OH 3.43Å; T216-Y272 HydrophobicContact CG2-CE2 4.27Å; T216-Y272 PolarHBondContact OG1-OH 3.29Å; T267-Y272 HydrophobicContact CG2-CD2 3.95Å; T267-Y272 HydrophobicContact CG2-CE2 3.46Å; T267-Y272 VanDerWaalsContact CG2-CE2 3.46Å; Y268-Y272 WeakPolarHBondContact O-CD2 3.27Å; V269-Y272 PolarHBondContact O-N 2.87Å; P270-Y272 VanDerWaalsContact C-N 3.26Å; P270-Y272 PolarHBondContact O-N 3.07Å; Y272-E274 VanDerWaalsContact C-N 3.35Å; Y272-E274 PolarHBondContact O-N 3.03Å; Y272-W275 HydrophobicContact CD1-CE3 4.45Å; Y272-W275 CarbonylContact O-C 3.51Å; Y272-W275 WeakPolarHBondContact O-CA 3.33Å; Y272-W275 WeakPolarHBondContact O-CB 3.3Å; Y272-W275 PolarHBondContact O-N 3.39Å; Y272-I276 WeakPolarHBondContact O-CG1 3.06Å; Y272-I276 PolarHBondContact O-N 3.01Å
273	I	95.4	Very high	91.2	Very high	27 Å²	27	36.5 Å²	36.5	14%	0.138	18%	0.183	C	C	.	.	H	α-helix	trans	-56.1	-45.2	-177.4	-65.1	-64.4	0	0	0	112.6	L155 P156 K158 V269 P270 W275 I276 V277	L155-I273 HydrophobicContact CB-CD1 4.02Å; L155-I273 HydrophobicContact CD2-CD1 4.48Å; P156-I273 HydrophobicContact CG-CD1 4.2Å; P156-I273 VanDerWaalsContact O-CD1 3.25Å; P156-I273 WeakPolarHBondContact O-CD1 3.41Å; P156-I273 WeakPolarHBondContact O-CG1 3.36Å; K158-I273 HydrophobicContact CB-CB 4.06Å; K158-I273 HydrophobicContact CB-CG1 4.45Å; K158-I273 HydrophobicContact CB-CG2 4.29Å; V269-I273 HydrophobicContact CG1-CD1 4.17Å; V269-I273 PolarHBondContact O-N 3.27Å; P270-I273 WeakPolarHBondContact O-CG1 3.32Å; I273-W275 VanDerWaalsContact C-N 3.32Å; I273-W275 PolarHBondContact O-N 2.85Å; I273-I276 HydrophobicContact CD1-CD1 4.49Å; I273-I276 PolarHBondContact O-N 3.43Å; I273-V277 WeakPolarHBondContact O-CG2 3.43Å; I273-V277 PolarHBondContact O-N 3.02Å
274	E	94.7	Very high	92.5	Very high	123 Å²	123	40.9 Å²	40.9	58%	0.575	21%	0.206	S	C	*	.	H	α-helix	trans	-67.2	-34.3	178.1	-64.6	-179	166	0	0	112	K158 Y272 S278	K158-E274 HydrophobicContact CD-CG 4.21Å; K158-E274 VanDerWaalsContact CD-OE1 3.24Å; K158-E274 WeakPolarHBondContact CD-OE1 3.3Å; K158-E274 WeakPolarHBondContact CE-OE1 3.33Å; K158-E274 IonicContact NZ-OE1 3.56Å; K158-E274 PolarHBondContact NZ-OE1 2.61Å; Y272-E274 VanDerWaalsContact C-N 3.35Å; Y272-E274 PolarHBondContact O-N 3.03Å; E274-S278 WeakPolarHBondContact O-CB 3.46Å; E274-S278 PolarHBondContact O-N 3.25Å
275	W	95.4	Very high	93.4	Very high	65 Å²	65	44.2 Å²	44.2	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-69.6	-40	173.5	173.2	84.6	0	0	0	112.3	R122 D123 I135 V137 Y272 I273 V277 S278 A279	R122-W275 HydrophobicContact CB-CZ2 4.24Å; D123-W275 VanDerWaalsContact O-CZ2 3.27Å; D123-W275 WeakPolarHBondContact O-CZ2 3.41Å; I135-W275 HydrophobicContact CB-CZ3 4.46Å; I135-W275 HydrophobicContact CD1-CE3 4.17Å; I135-W275 HydrophobicContact CD1-CZ3 3.87Å; I135-W275 HydrophobicContact CG1-CH2 4.45Å; I135-W275 HydrophobicContact CG1-CZ3 3.76Å; I135-W275 HydrophobicContact CG2-CE3 4.32Å; I135-W275 HydrophobicContact CG2-CH2 4.33Å; I135-W275 HydrophobicContact CG2-CZ3 3.98Å; V137-W275 HydrophobicContact CG2-CH2 3.87Å; V137-W275 HydrophobicContact CG2-CZ3 3.73Å; Y272-W275 HydrophobicContact CD1-CE3 4.45Å; Y272-W275 CarbonylContact O-C 3.51Å; Y272-W275 WeakPolarHBondContact O-CA 3.33Å; Y272-W275 WeakPolarHBondContact O-CB 3.3Å; Y272-W275 PolarHBondContact O-N 3.39Å; I273-W275 VanDerWaalsContact C-N 3.32Å; I273-W275 PolarHBondContact O-N 2.85Å; W275-V277 VanDerWaalsContact C-N 3.34Å; W275-V277 PolarHBondContact O-N 2.93Å; W275-S278 PolarHBondContact O-N 3.03Å; W275-A279 HydrophobicContact CZ2-CB 4.44Å; W275-A279 WeakPolarHBondContact O-CB 3.24Å; W275-A279 PolarHBondContact O-N 3.11Å
276	I	95.7	Very high	93.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-43.2	175	-68.6	166.1	0	0	0	110.4	I63 I65 L75 I135 V137 L155 V269 Y272 I273 A279 D280	I63-I276 HydrophobicContact CD1-CG2 3.97Å; I65-I276 HydrophobicContact CD1-CG2 4.19Å; I65-I276 HydrophobicContact CG1-CG2 4.45Å; L75-I276 HydrophobicContact CD1-CD1 4.07Å; L75-I276 HydrophobicContact CD1-CG1 4.34Å; L75-I276 HydrophobicContact CD2-CD1 4.17Å; I135-I276 HydrophobicContact CD1-CD1 4.29Å; I135-I276 HydrophobicContact CD1-CG1 4.45Å; V137-I276 HydrophobicContact CG2-CG1 4.24Å; V137-I276 HydrophobicContact CG2-CG2 4.39Å; L155-I276 HydrophobicContact CD1-CG2 4.33Å; V269-I276 HydrophobicContact CG1-CD1 4.23Å; Y272-I276 WeakPolarHBondContact O-CG1 3.06Å; Y272-I276 PolarHBondContact O-N 3.01Å; I273-I276 HydrophobicContact CD1-CD1 4.49Å; I273-I276 PolarHBondContact O-N 3.43Å; I276-A279 PolarHBondContact O-N 3.06Å; I276-D280 PolarHBondContact O-N 2.93Å; I276-D280 VanDerWaalsContact O-N 3.08Å
277	V	95.2	Very high	93.9	Very high	49 Å²	49	51.2 Å²	51.2	30%	0.297	26%	0.26	S	S	.	.	H	α-helix	trans	-66.6	-41.1	176.7	173.5	0	0	0	0	111.7	I65 I273 W275 D280 Q281	I65-V277 HydrophobicContact CD1-CG2 4.36Å; I65-V277 HydrophobicContact CG1-CG2 4.38Å; I65-V277 HydrophobicContact CG2-CG2 4.06Å; I273-V277 WeakPolarHBondContact O-CG2 3.43Å; I273-V277 PolarHBondContact O-N 3.02Å; W275-V277 VanDerWaalsContact C-N 3.34Å; W275-V277 PolarHBondContact O-N 2.93Å; V277-D280 PolarHBondContact O-N 3.48Å; V277-Q281 WeakPolarHBondContact O-CG 3.19Å; V277-Q281 PolarHBondContact O-N 2.91Å
278	S	95	Very high	93.8	Very high	58 Å²	58	56.4 Å²	56.4	41%	0.406	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-42.7	174.8	-176.7	0	0	0	0	112	E274 W275 D280 Q281 V282	E274-S278 WeakPolarHBondContact O-CB 3.46Å; E274-S278 PolarHBondContact O-N 3.25Å; W275-S278 PolarHBondContact O-N 3.03Å; S278-D280 VanDerWaalsContact C-N 3.35Å; S278-D280 PolarHBondContact O-N 3.17Å; S278-Q281 WeakPolarHBondContact O-CB 3.41Å; S278-Q281 PolarHBondContact O-N 2.76Å; S278-Q281 VanDerWaalsContact O-N 3.12Å; S278-V282 WeakPolarHBondContact O-CG2 3.39Å; S278-V282 PolarHBondContact O-N 2.04Å
279	A	94.1	Very high	93.5	Very high	4 Å²	4	60 Å²	60	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-58.8	-43.5	176.2	0	0	0	0	0	112.1	R122 W275 I276 Q281 V282 M283	R122-A279 HydrophobicContact CB-CB 4.2Å; R122-A279 HydrophobicContact CG-CB 4.33Å; W275-A279 HydrophobicContact CZ2-CB 4.44Å; W275-A279 WeakPolarHBondContact O-CB 3.24Å; W275-A279 PolarHBondContact O-N 3.11Å; I276-A279 PolarHBondContact O-N 3.06Å; A279-Q281 VanDerWaalsContact C-N 3.3Å; A279-Q281 PolarHBondContact O-N 2.91Å; A279-V282 PolarHBondContact O-N 2.92Å; A279-M283 WeakPolarHBondContact O-CE 3.24Å; A279-M283 VanDerWaalsContact O-CG 3.31Å; A279-M283 WeakPolarHBondContact O-CG 3.46Å; A279-M283 PolarHBondContact O-N 3.04Å; A279-M283 VanDerWaalsContact O-N 3.08Å
280	D	93.6	Very high	93.1	Very high	31 Å²	31	61 Å²	61	17%	0.166	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-38.4	174.9	-176.5	57.6	0	0	0	112.7	I65 L73 R139 I276 V277 S278	I65-D280 HydrophobicContact CD1-CB 3.33Å; L73-D280 HydrophobicContact CD1-CB 4.46Å; L73-D280 WeakPolarHBondContact CD1-OD1 3.3Å; R139-D280 IonicContact CZ-OD1 2.71Å; R139-D280 PolarHBondContact NH2-O 2.76Å; R139-D280 IonicContact NH2-OD1 2.62Å; R139-D280 PolarHBondContact NH2-OD1 3.02Å; I276-D280 PolarHBondContact O-N 2.93Å; I276-D280 VanDerWaalsContact O-N 3.08Å; V277-D280 PolarHBondContact O-N 3.48Å; S278-D280 VanDerWaalsContact C-N 3.35Å; S278-D280 PolarHBondContact O-N 3.17Å
281	Q	93.7	Very high	92.5	Very high	147 Å²	147	63.3 Å²	63.3	69%	0.687	32%	0.324	S	S	*	.	H	α-helix	trans	-72.1	-28.1	179.3	-69	172.1	-2.2	0	0	113.9	V277 S278 A279	V277-Q281 WeakPolarHBondContact O-CG 3.19Å; V277-Q281 PolarHBondContact O-N 2.91Å; S278-Q281 WeakPolarHBondContact O-CB 3.41Å; S278-Q281 PolarHBondContact O-N 2.76Å; S278-Q281 VanDerWaalsContact O-N 3.12Å; A279-Q281 VanDerWaalsContact C-N 3.3Å; A279-Q281 PolarHBondContact O-N 2.91Å
282	V	93.7	Very high	91.7	Very high	87 Å²	87	61.7 Å²	61.7	53%	0.527	32%	0.318	S	S	.	.	H	α-helix	trans	-106.6	0	-175.1	-54.5	0	0	0	0	114.8	R122 S278 A279	R122-V282 PolarHBondContact NH2-O 2.88Å; S278-V282 WeakPolarHBondContact O-CG2 3.39Å; S278-V282 PolarHBondContact O-N 2.04Å; A279-V282 PolarHBondContact O-N 2.92Å
283	M	93.3	Very high	90.4	Very high	7 Å²	7	63.4 Å²	63.4	3%	0.034	33%	0.327	C	S	.	.	S	Bend	trans	-84.9	152.3	170.3	-78.4	-175.7	-61.2	0	0	111.2	L73 D120 R122 V137 R139 A279	L73-M283 HydrophobicContact CD2-CE 3.92Å; D120-M283 HydrophobicContact CB-CB 4.27Å; D120-M283 HydrophobicContact CB-CG 4.32Å; D120-M283 WeakPolarHBondContact OD2-CA 3.25Å; D120-M283 WeakPolarHBondContact OD2-CB 3.45Å; R122-M283 HydrophobicContact CG-CG 3.69Å; R122-M283 HydrophobicContact CG-SD 4.15Å; V137-M283 HydrophobicContact CB-CE 4.32Å; V137-M283 HydrophobicContact CG1-CE 3.71Å; R139-M283 HydrophobicContact CB-CE 4.24Å; R139-M283 HydrophobicContact CB-SD 4.06Å; R139-M283 VanDerWaalsContact NH1-CB 3.35Å; R139-M283 PolarHBondContact NH1-O 2.87Å; A279-M283 WeakPolarHBondContact O-CE 3.24Å; A279-M283 VanDerWaalsContact O-CG 3.31Å; A279-M283 WeakPolarHBondContact O-CG 3.46Å; A279-M283 PolarHBondContact O-N 3.04Å; A279-M283 VanDerWaalsContact O-N 3.08Å
284	D	92.6	Very high	89.2	Confident	94 Å²	94	65.6 Å²	65.6	50%	0.503	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-61.5	127.4	175.1	-78.3	-20.4	0	0	0	111.3	D120 R139	D120-D284 HydrophobicContact CB-CB 4.37Å; D120-D284 PolarHBondContact OD2-N 2.92Å; R139-D284 WeakPolarHBondContact CD-O 3.16Å; R139-D284 PolarHBondContact NH1-O 2.79Å
285	P	91.8	Very high	88	Confident	71 Å²	71	59.9 Å²	59.9	46%	0.461	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-71.9	144.3	-173.4	27.5	-35	0	0	0	113.1	R119 H287	R119-P285 PolarHBondContact NE-O 3.4Å; R119-P285 PolarHBondContact NH2-O 3Å; P285-H287 PolarHBondContact O-NE2 3.29Å
286	T	91.7	Very high	86.3	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.012	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-92.8	125.9	173.4	-63.6	0	0	0	0	111.2	D72 R119 L140 E141 K143	D72-T286 HydrophobicContact CB-CG2 4.43Å; D72-T286 WeakPolarHBondContact OD2-CB 3.37Å; R119-T286 WeakPolarHBondContact CD-OG1 3.15Å; L140-T286 WeakPolarHBondContact O-CG2 3.36Å; L140-T286 PolarHBondContact O-OG1 2.81Å; E141-T286 VanDerWaalsContact O-CG2 3.3Å; E141-T286 WeakPolarHBondContact O-CG2 3.48Å; K143-T286 WeakPolarHBondContact CE-O 3.35Å; K143-T286 HydrophobicContact CG-CG2 4.16Å; K143-T286 PolarHBondContact NZ-O 3.16Å
287	H	89	Confident	84.3	Confident	145 Å²	145	58.9 Å²	58.9	67%	0.671	31%	0.311	S	S	*	.			trans	-99	-27.6	-174	-56.4	-67.8	0	0	0	113.8	P285	P285-H287 PolarHBondContact O-NE2 3.29Å
288	E	90.2	Very high	82.1	Confident	110 Å²	110	60.6 Å²	60.6	51%	0.514	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-89.9	140.7	-179.7	-69.5	-175.7	-155.1	0	0	112.3	K142 K143	K142-E288 WeakPolarHBondContact CE-OE2 3.49Å; K142-E288 HydrophobicContact CG-CB 4.22Å; K142-E288 IonicContact NZ-OE2 3.8Å; K142-E288 PolarHBondContact NZ-OE2 2.62Å; K143-E288 PolarHBondContact N-O 2.96Å
289	I	88.6	Confident	79.7	Confident	96 Å²	96	60.1 Å²	60.1	49%	0.492	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-102.5	131.8	165.7	-60.6	169.1	0	0	0	107.4	A70 K143	A70-I289 HydrophobicContact CB-CG2 4.48Å; K143-I289 HydrophobicContact CB-CB 4.46Å; K143-I289 HydrophobicContact CB-CG1 4.01Å; K143-I289 HydrophobicContact CD-CG1 4.24Å
290	M	86.7	Confident	77.2	Confident	19 Å²	19	60.3 Å²	60.3	9%	0.094	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-66.4	132.5	172.5	175.8	171.3	-79	0	0	109.6	T114 V116 K142 K143 I144 P145 E292 D294 V295	T114-M290 HydrophobicContact CG2-CE 3.72Å; T114-M290 HydrophobicContact CG2-SD 3.41Å; T114-M290 WeakPolarHBondContact CG2-SD 3.39Å; V116-M290 HydrophobicContact CG2-CE 3.58Å; K142-M290 HydrophobicContact CB-CB 4.2Å; K143-M290 WeakPolarHBondContact O-CB 3.47Å; K143-M290 PolarHBondContact O-N 3.42Å; I144-M290 HydrophobicContact CD1-SD 4.43Å; P145-M290 VanDerWaalsContact CD-O 3.29Å; P145-M290 WeakPolarHBondContact CD-O 3.27Å; P145-M290 WeakPolarHBondContact CG-O 3.5Å; M290-E292 PolarHBondContact O-N 3.19Å; M290-D294 HydrophobicContact CG-CB 3.69Å; M290-D294 HydrophobicContact SD-CB 4.14Å; M290-V295 HydrophobicContact CG-CG2 4.17Å; M290-V295 HydrophobicContact SD-CG2 3.82Å
291	P	82.7	Confident	74.7	Confident	51 Å²	51	60.1 Å²	60.1	33%	0.331	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-53.1	138.8	170.3	-27.6	36.6	0	0	0	111.7	E293 D294 V295	P291-E293 HydrophobicContact CB-CG 3.81Å; P291-E293 PolarHBondContact O-N 2.89Å; P291-E293 VanDerWaalsContact O-N 3.08Å; P291-D294 HydrophobicContact CB-CB 4.32Å; P291-D294 WeakPolarHBondContact CD-OD2 3.33Å; P291-D294 WeakPolarHBondContact CG-OD2 3.44Å; P291-D294 WeakPolarHBondContact O-CB 3.12Å; P291-D294 PolarHBondContact O-N 2.9Å; P291-V295 PolarHBondContact O-N 3.27Å
292	E	77.7	Confident	72	Confident	92 Å²	92	54.5 Å²	54.5	43%	0.43	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.4	-179.9	-72.7	-179.4	179.6	0	0	113	P145 T147 M290 V295	P145-E292 HydrophobicContact CB-CG 3.79Å; P145-E292 HydrophobicContact CG-CB 4.4Å; P145-E292 HydrophobicContact CG-CG 3.76Å; T147-E292 HydrophobicContact CG2-CG 4.48Å; M290-E292 PolarHBondContact O-N 3.19Å; E292-V295 PolarHBondContact O-N 3.06Å
293	E	66.7	Low	69.8	Low	52 Å²	52	53.5 Å²	53.5	24%	0.243	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.1	176.2	66.1	-144.6	-176.3	0	0	115.7	P291 R304 R311	P291-E293 HydrophobicContact CB-CG 3.81Å; P291-E293 PolarHBondContact O-N 2.89Å; P291-E293 VanDerWaalsContact O-N 3.08Å; E293-R304 PolarHBondContact O-NH2 2.66Å; E293-R311 IonicContact OE1-CZ 3.2Å; E293-R311 IonicContact OE1-NH1 3.91Å; E293-R311 PolarHBondContact OE1-NH1 2.88Å; E293-R311 IonicContact OE1-NH2 3.16Å; E293-R311 PolarHBondContact OE1-NH2 3.05Å; E293-R311 IonicContact OE2-CZ 2.71Å; E293-R311 IonicContact OE2-NE 3.73Å; E293-R311 IonicContact OE2-NH1 2.94Å; E293-R311 PolarHBondContact OE2-NH1 2.95Å; E293-R311 IonicContact OE2-NH2 2.77Å; E293-R311 PolarHBondContact OE2-NH2 3.1Å
294	D	70.9	Confident	67.6	Low	74 Å²	74	56.9 Å²	56.9	40%	0.396	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-18.6	172	-74.6	-19.2	0	0	0	111.9	T114 M290 P291 R304	T114-D294 PolarHBondContact OG1-O 3.29Å; M290-D294 HydrophobicContact CG-CB 3.69Å; M290-D294 HydrophobicContact SD-CB 4.14Å; P291-D294 HydrophobicContact CB-CB 4.32Å; P291-D294 WeakPolarHBondContact CD-OD2 3.33Å; P291-D294 WeakPolarHBondContact CG-OD2 3.44Å; P291-D294 WeakPolarHBondContact O-CB 3.12Å; P291-D294 PolarHBondContact O-N 2.9Å; D294-R304 IonicContact OD1-NH2 3.66Å
295	V	69.9	Low	65.3	Low	3 Å²	3	56.4 Å²	56.4	2%	0.018	28%	0.277	C	S	.	.	S	Bend	trans	-68.2	129.8	159	-176.8	0	0	0	0	107.7	T114 I144 P145 T150 M290 P291 E292 E297	T114-V295 WeakPolarHBondContact OG1-CA 3.38Å; I144-V295 HydrophobicContact CG2-CG2 4.24Å; P145-V295 HydrophobicContact CG-CG2 3.7Å; T150-V295 HydrophobicContact CG2-CG1 3.56Å; M290-V295 HydrophobicContact CG-CG2 4.17Å; M290-V295 HydrophobicContact SD-CG2 3.82Å; P291-V295 PolarHBondContact O-N 3.27Å; E292-V295 PolarHBondContact O-N 3.06Å; V295-E297 PolarHBondContact O-N 2.58Å
296	H	59.2	Low	63.4	Low	18 Å²	18	56.3 Å²	56.3	8%	0.083	27%	0.271	C	S	.	.			trans	-75.5	71.7	176.6	-169.2	72.2	0	0	0	108.2	D112 T114	D112-H296 PolarHBondContact O-ND1 2.8Å; T114-H296 WeakPolarHBondContact OG1-CB 3.38Å; T114-H296 PolarHBondContact OG1-N 2.92Å
297	E	55.1	Low	61.4	Low	27 Å²	27	60.6 Å²	60.6	13%	0.126	29%	0.287	C	S	.	.			trans	-48.7	137.5	146.9	-51.7	-160.3	114.2	0	0	107.1	F149 V295 L299 R307	F149-E297 HydrophobicContact CD2-CB 3.71Å; F149-E297 HydrophobicContact CD2-CG 3.75Å; F149-E297 HydrophobicContact CE2-CB 3.6Å; F149-E297 HydrophobicContact CE2-CG 3.9Å; V295-E297 PolarHBondContact O-N 2.58Å; E297-L299 HydrophobicContact CB-CG 4.13Å; E297-L299 PolarHBondContact O-N 3.04Å; E297-R307 IonicContact OE2-CZ 3.12Å; E297-R307 IonicContact OE2-NH1 3.89Å; E297-R307 PolarHBondContact OE2-NH1 2.99Å; E297-R307 IonicContact OE2-NH2 3.46Å
298	Y	47.7	Very low	59.8	Low	85 Å²	85	57.5 Å²	57.5	33%	0.333	28%	0.275	S	S	.	.	S	Bend	trans	-74.9	54.7	171.5	-166.4	-96.8	0	0	0	110	H36	H36-Y298 WeakPolarHBondContact NE2-CB 3.39Å; H36-Y298 AromaticContact NE2-CG 3.9Å
299	L	44.9	Very low	58	Low	48 Å²	48	56.3 Å²	56.3	25%	0.251	27%	0.271	S	S	.	.			trans	-68.5	119.4	147.4	-63.3	-165.6	0	0	0	105.3	E297 E303	E297-L299 HydrophobicContact CB-CG 4.13Å; E297-L299 PolarHBondContact O-N 3.04Å; L299-E303 WeakPolarHBondContact CA-OE2 3.06Å; L299-E303 HydrophobicContact CB-CB 3.69Å; L299-E303 HydrophobicContact CD1-CB 4.29Å; L299-E303 HydrophobicContact CD2-CB 3.91Å; L299-E303 HydrophobicContact CG-CB 4.15Å
300	T	41.1	Very low	56.3	Low	8 Å²	8	56 Å²	56	5%	0.049	27%	0.271	C	S	.	.			trans	-50.3	156.6	163.2	56.3	0	0	0	0	109.7	K302 E303 R304 Y624 P627	T300-K302 CarbonylContact O-C 3.57Å; T300-K302 PolarHBondContact O-N 2.81Å; T300-K302 VanDerWaalsContact OG1-CB 3.31Å; T300-K302 WeakPolarHBondContact OG1-CB 3.09Å; T300-E303 WeakPolarHBondContact CB-OE2 3.37Å; T300-E303 PolarHBondContact N-OE2 2.04Å; T300-E303 PolarHBondContact O-N 2.87Å; T300-E303 PolarHBondContact OG1-N 3.35Å; T300-E303 PolarHBondContact OG1-OE2 3.43Å; T300-R304 PolarHBondContact O-N 2.96Å; T300-Y624 HydrophobicContact CG2-CE1 3.71Å; T300-P627 HydrophobicContact CG2-CG 4.39Å
301	I	41.4	Very low	54.6	Low	26 Å²	26	61.3 Å²	61.3	13%	0.133	29%	0.29	C	S	.	.	H	α-helix	trans	-48.9	-30.1	173.7	-60.8	173.2	0	0	0	110.8	D112 N305 P627 M631	D112-I301 WeakPolarHBondContact OD2-CG1 3.34Å; I301-N305 VanDerWaalsContact O-CB 3.22Å; I301-N305 WeakPolarHBondContact O-CB 3.43Å; I301-N305 PolarHBondContact O-N 2.85Å; I301-N305 PolarHBondContact O-ND2 2.9Å; I301-P627 HydrophobicContact CD1-CB 4.14Å; I301-P627 HydrophobicContact CG1-CB 4.41Å; I301-M631 HydrophobicContact CD1-CE 4.13Å; I301-M631 HydrophobicContact CD1-CG 3.81Å; I301-M631 HydrophobicContact CD1-SD 3.76Å; I301-M631 HydrophobicContact CG2-CG 4.1Å; I301-M631 HydrophobicContact CG2-SD 3.92Å
302	K	37.8	Very low	52.9	Low	30 Å²	30	62.3 Å²	62.3	13%	0.13	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-48.8	171.8	-143.5	176.1	-154.7	172.2	0	114	T300 N305 Q306 V630	T300-K302 CarbonylContact O-C 3.57Å; T300-K302 PolarHBondContact O-N 2.81Å; T300-K302 VanDerWaalsContact OG1-CB 3.31Å; T300-K302 WeakPolarHBondContact OG1-CB 3.09Å; K302-N305 PolarHBondContact O-N 2.97Å; K302-Q306 VanDerWaalsContact O-CB 3.28Å; K302-Q306 WeakPolarHBondContact O-CB 3.45Å; K302-Q306 PolarHBondContact O-N 3.22Å; K302-V630 HydrophobicContact CB-CB 4.39Å; K302-V630 HydrophobicContact CB-CG1 3.63Å; K302-V630 HydrophobicContact CB-CG2 3.92Å; K302-V630 HydrophobicContact CD-CG1 4.28Å; K302-V630 HydrophobicContact CD-CG2 3.51Å; K302-V630 HydrophobicContact CG-CB 4.38Å; K302-V630 HydrophobicContact CG-CG1 3.61Å; K302-V630 HydrophobicContact CG-CG2 3.81Å
303	E	47	Very low	51.4	Low	65 Å²	65	65.6 Å²	65.6	30%	0.304	31%	0.311	S	S	.	.	H	α-helix	trans	-75.5	-35.2	-178.3	-74.1	149.4	148.7	0	0	111.3	L299 T300 Q306 R307 Y624	L299-E303 WeakPolarHBondContact CA-OE2 3.06Å; L299-E303 HydrophobicContact CB-CB 3.69Å; L299-E303 HydrophobicContact CD1-CB 4.29Å; L299-E303 HydrophobicContact CD2-CB 3.91Å; L299-E303 HydrophobicContact CG-CB 4.15Å; T300-E303 WeakPolarHBondContact CB-OE2 3.37Å; T300-E303 PolarHBondContact N-OE2 2.04Å; T300-E303 PolarHBondContact O-N 2.87Å; T300-E303 PolarHBondContact OG1-N 3.35Å; T300-E303 PolarHBondContact OG1-OE2 3.43Å; E303-Q306 PolarHBondContact O-N 2.9Å; E303-R307 VanDerWaalsContact O-CB 3.29Å; E303-R307 WeakPolarHBondContact O-CB 3.28Å; E303-R307 PolarHBondContact O-N 2.92Å; E303-Y624 PolarHBondContact OE1-OH 2.03Å; E303-Y624 PolarHBondContact OE2-OH 2.91Å
304	R	46	Very low	50.5	Low	78 Å²	78	67.8 Å²	67.8	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-46.4	169.3	-158.5	176.4	-160.9	178.1	7.1	110.8	E293 D294 T300 Q306 R307 N308	E293-R304 PolarHBondContact O-NH2 2.66Å; D294-R304 IonicContact OD1-NH2 3.66Å; T300-R304 PolarHBondContact O-N 2.96Å; R304-Q306 PolarHBondContact O-N 2.96Å; R304-R307 PolarHBondContact O-N 3.18Å; R304-N308 WeakPolarHBondContact O-CB 3.39Å; R304-N308 VanDerWaalsContact O-CG 3.25Å; R304-N308 PolarHBondContact O-N 3.26Å; R304-N308 PolarHBondContact O-ND2 3.25Å
305	N	46.1	Very low	49.1	Very low	85 Å²	85	68.1 Å²	68.1	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-66.7	-34.3	175.4	-73.8	-17.4	0	0	0	113	I301 K302 L309	I301-N305 VanDerWaalsContact O-CB 3.22Å; I301-N305 WeakPolarHBondContact O-CB 3.43Å; I301-N305 PolarHBondContact O-N 2.85Å; I301-N305 PolarHBondContact O-ND2 2.9Å; K302-N305 PolarHBondContact O-N 2.97Å; N305-L309 WeakPolarHBondContact O-CB 3.27Å; N305-L309 PolarHBondContact O-N 3.34Å
306	Q	50.6	Low	47.5	Very low	69 Å²	69	71.3 Å²	71.3	32%	0.322	38%	0.379	S	S	.	.	H	α-helix	trans	-68.6	-40.3	174.1	-168.4	72.1	54.4	0	0	111.6	K302 E303 R304 L309 N310	K302-Q306 VanDerWaalsContact O-CB 3.28Å; K302-Q306 WeakPolarHBondContact O-CB 3.45Å; K302-Q306 PolarHBondContact O-N 3.22Å; E303-Q306 PolarHBondContact O-N 2.9Å; R304-Q306 PolarHBondContact O-N 2.96Å; Q306-L309 PolarHBondContact O-N 3Å; Q306-N310 WeakPolarHBondContact O-CB 3.31Å; Q306-N310 PolarHBondContact O-N 3.46Å; Q306-N310 PolarHBondContact O-OD1 2.88Å
307	R	50.6	Low	46.2	Very low	92 Å²	92	75.5 Å²	75.5	35%	0.347	41%	0.41	S	S	.	.	H	α-helix	trans	-65.3	-40.9	174.9	-160.6	177.2	-170.2	171.1	2.9	110.7	E297 E303 R304 N310 R311	E297-R307 IonicContact OE2-CZ 3.12Å; E297-R307 IonicContact OE2-NH1 3.89Å; E297-R307 PolarHBondContact OE2-NH1 2.99Å; E297-R307 IonicContact OE2-NH2 3.46Å; E303-R307 VanDerWaalsContact O-CB 3.29Å; E303-R307 WeakPolarHBondContact O-CB 3.28Å; E303-R307 PolarHBondContact O-N 2.92Å; R304-R307 PolarHBondContact O-N 3.18Å; R307-N310 PolarHBondContact O-N 3.45Å; R307-R311 WeakPolarHBondContact O-CB 3.24Å; R307-R311 PolarHBondContact O-N 2.69Å
308	N	54.3	Low	44.9	Very low	79 Å²	79	81.7 Å²	81.7	42%	0.422	44%	0.443	S	S	.	.	H	α-helix	trans	-65.1	-41.1	172.2	-71.6	-16.4	0	0	0	112.6	R304 N310 R311 S312	R304-N308 WeakPolarHBondContact O-CB 3.39Å; R304-N308 VanDerWaalsContact O-CG 3.25Å; R304-N308 PolarHBondContact O-N 3.26Å; R304-N308 PolarHBondContact O-ND2 3.25Å; N308-N310 VanDerWaalsContact C-N 3.34Å; N308-R311 WeakPolarHBondContact O-CB 3.33Å; N308-R311 PolarHBondContact O-N 2.95Å; N308-S312 PolarHBondContact O-N 2.89Å; N308-S312 PolarHBondContact O-OG 3.22Å
309	L	52.4	Low	44.2	Very low	85 Å²	85	84.5 Å²	84.5	45%	0.445	47%	0.469	S	S	.	.	H	α-helix	trans	-63.3	-38.7	173.1	-120.5	81.5	0	0	0	112.3	N305 Q306 S312 K313	N305-L309 WeakPolarHBondContact O-CB 3.27Å; N305-L309 PolarHBondContact O-N 3.34Å; Q306-L309 PolarHBondContact O-N 3Å; L309-S312 WeakPolarHBondContact CA-OG 3.12Å; L309-S312 PolarHBondContact O-OG 2.75Å; L309-K313 WeakPolarHBondContact O-CB 3.49Å; L309-K313 VanDerWaalsContact O-CG 3.27Å; L309-K313 WeakPolarHBondContact O-CG 3.47Å; L309-K313 PolarHBondContact O-N 2.81Å
310	N	54.1	Low	43.5	Very low	89 Å²	89	86.1 Å²	86.1	48%	0.476	50%	0.497	S	S	.	.	H	α-helix	trans	-69.7	-38.7	177.6	-69.1	-4.6	0	0	0	110.3	Q306 R307 N308 K313 S314	Q306-N310 WeakPolarHBondContact O-CB 3.31Å; Q306-N310 PolarHBondContact O-N 3.46Å; Q306-N310 PolarHBondContact O-OD1 2.88Å; R307-N310 PolarHBondContact O-N 3.45Å; N308-N310 VanDerWaalsContact C-N 3.34Å; N310-K313 PolarHBondContact O-N 2.67Å; N310-S314 PolarHBondContact O-N 3.17Å; N310-S314 PolarHBondContact O-OG 3.29Å
311	R	50	Low	43	Very low	131 Å²	131	89.5 Å²	89.5	49%	0.494	53%	0.533	S	S	.	.	H	α-helix	trans	-60.2	-47.5	172.3	-101	-176.4	159	-172.7	-0.9	113.1	E293 R307 N308 K313 S314 A315	E293-R311 IonicContact OE1-CZ 3.2Å; E293-R311 IonicContact OE1-NH1 3.91Å; E293-R311 PolarHBondContact OE1-NH1 2.88Å; E293-R311 IonicContact OE1-NH2 3.16Å; E293-R311 PolarHBondContact OE1-NH2 3.05Å; E293-R311 IonicContact OE2-CZ 2.71Å; E293-R311 IonicContact OE2-NE 3.73Å; E293-R311 IonicContact OE2-NH1 2.94Å; E293-R311 PolarHBondContact OE2-NH1 2.95Å; E293-R311 IonicContact OE2-NH2 2.77Å; E293-R311 PolarHBondContact OE2-NH2 3.1Å; R307-R311 WeakPolarHBondContact O-CB 3.24Å; R307-R311 PolarHBondContact O-N 2.69Å; N308-R311 WeakPolarHBondContact O-CB 3.33Å; N308-R311 PolarHBondContact O-N 2.95Å; R311-K313 VanDerWaalsContact C-N 3.31Å; R311-K313 PolarHBondContact O-N 3.35Å; R311-S314 WeakPolarHBondContact CA-OG 3.36Å; R311-S314 PolarHBondContact O-N 3.22Å; R311-S314 PolarHBondContact O-OG 3.22Å; R311-A315 PolarHBondContact O-N 3.13Å
312	S	47.7	Very low	42.5	Very low	73 Å²	73	100.2 Å²	100.2	51%	0.51	57%	0.572	S	S	.	*	H	α-helix	trans	-70.2	-27	177.3	50.9	0	0	0	0	112.8	N308 L309 A315	N308-S312 PolarHBondContact O-N 2.89Å; N308-S312 PolarHBondContact O-OG 3.22Å; L309-S312 WeakPolarHBondContact CA-OG 3.12Å; L309-S312 PolarHBondContact O-OG 2.75Å; S312-A315 CarbonylContact O-C 3.54Å; S312-A315 PolarHBondContact O-N 3.4Å
313	K	47.1	Very low	42	Very low	160 Å²	160	105.5 Å²	105.5	70%	0.696	61%	0.607	S	S	*	*	H	α-helix	trans	-74.9	-23.8	169.9	-75.4	178.4	178	-172.6	0	114.5	L309 N310 R311 A315	L309-K313 WeakPolarHBondContact O-CB 3.49Å; L309-K313 VanDerWaalsContact O-CG 3.27Å; L309-K313 WeakPolarHBondContact O-CG 3.47Å; L309-K313 PolarHBondContact O-N 2.81Å; N310-K313 PolarHBondContact O-N 2.67Å; R311-K313 VanDerWaalsContact C-N 3.31Å; R311-K313 PolarHBondContact O-N 3.35Å; K313-A315 VanDerWaalsContact C-N 3.27Å
314	S	47	Very low	41.2	Very low	99 Å²	99	107 Å²	107	69%	0.692	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-2.5	171.4	50.2	0	0	0	0	114.2	N310 R311	N310-S314 PolarHBondContact O-N 3.17Å; N310-S314 PolarHBondContact O-OG 3.29Å; R311-S314 WeakPolarHBondContact CA-OG 3.36Å; R311-S314 PolarHBondContact O-N 3.22Å; R311-S314 PolarHBondContact O-OG 3.22Å
315	A	42.3	Very low	40.4	Very low	81 Å²	81	109.7 Å²	109.7	67%	0.669	66%	0.656	S	S	*	*	S	Bend	trans	-143.8	76.5	-176.8	0	0	0	0	0	112.2	R311 S312 K313	R311-A315 PolarHBondContact O-N 3.13Å; S312-A315 CarbonylContact O-C 3.54Å; S312-A315 PolarHBondContact O-N 3.4Å; K313-A315 VanDerWaalsContact C-N 3.27Å
316	G	34.5	Very low	39.8	Very low	70 Å²	70	111.1 Å²	111.1	72%	0.722	67%	0.67	S	S	*	*			trans	132.7	119.9	164.5	0	0	0	0	0	116.4
317	S	31.9	Very low	38.9	Very low	106 Å²	106	113 Å²	113	74%	0.741	69%	0.688	S	S	*	*			trans	-47	139.6	171.5	-174.9	0	0	0	0	116.9
318	L	29.5	Very low	38.2	Very low	157 Å²	157	114.7 Å²	114.7	82%	0.822	71%	0.711	S	S	*	*			trans	33.9	128.7	142	-62.8	161.3	0	0	0	120.9
319	V	32.6	Very low	37.8	Very low	144 Å²	144	115 Å²	115	87%	0.873	72%	0.715	S	S	*	*				164.6	130.4	110.1	160.4	0	0	0	0	111.8
320	G	29.9	Very low	37.7	Very low	81 Å²	81	117.1 Å²	117.1	84%	0.835	72%	0.717	S	S	*	*			trans	62.3	108.5	142.5	0	0	0	0	0	121.5
321	G	29.7	Very low	37.6	Very low	79 Å²	79	118.7 Å²	118.7	81%	0.814	72%	0.72	S	S	*	*			trans	-168.6	101.1	168.3	0	0	0	0	0	114.4
322	R	30.8	Very low	37.7	Very low	251 Å²	251	115.5 Å²	115.5	95%	0.947	72%	0.716	S	S	*	*			trans	-25	129.1	-177.9	-68.8	172.6	173.8	168.2	-2.5	117.7	A324	R322-A324 PolarHBondContact O-N 3.4Å
323	T	28.2	Very low	38.2	Very low	142 Å²	142	119 Å²	119	87%	0.871	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-70.6	117	168.8	48.1	0	0	0	0	112.1
324	A	31	Very low	39	Very low	95 Å²	95	115.4 Å²	115.4	79%	0.785	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-82.8	130.5	158.4	0	0	0	0	0	109.1	R322	R322-A324 PolarHBondContact O-N 3.4Å
325	T	29.1	Very low	40.1	Very low	136 Å²	136	112.1 Å²	112.1	83%	0.834	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-68.3	132.1	176.5	29.4	0	0	0	0	110.9
326	P	32.7	Very low	42.1	Very low	115 Å²	115	115.4 Å²	115.4	75%	0.747	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-66.1	151.6	174.6	-19.1	32	0	0	0	112.1
327	P	32.5	Very low	44.8	Very low	109 Å²	109	113.3 Å²	113.3	71%	0.708	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-65.1	154.4	171.4	28.9	-34.7	0	0	0	111.6
328	P	36.2	Very low	47.7	Very low	127 Å²	127	108.3 Å²	108.3	83%	0.825	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-67.4	142.4	-173.8	27	-34.6	0	0	0	113.2
329	V	44.7	Very low	50.6	Low	84 Å²	84	103.9 Å²	103.9	51%	0.509	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-77.6	132.1	-178.2	-178.8	0	0	0	0	110.1	L639	V329-L639 HydrophobicContact CB-CD2 4.41Å; V329-L639 HydrophobicContact CG1-CB 4.26Å; V329-L639 HydrophobicContact CG1-CD2 4.22Å; V329-L639 HydrophobicContact CG2-CD2 4.05Å
330	R	50.3	Low	53.2	Low	131 Å²	131	98.3 Å²	98.3	49%	0.494	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-61.1	137.5	169.5	-77.7	-170	-177.3	-175.8	2.3	109.3	D334 E342	R330-D334 HydrophobicContact CB-CB 4.28Å; R330-E342 IonicContact CZ-OE1 3.5Å; R330-E342 IonicContact NH1-OE1 3.45Å; R330-E342 PolarHBondContact NH1-OE1 3.36Å; R330-E342 IonicContact NH2-OE1 2.61Å; R330-E342 PolarHBondContact NH2-OE1 3.16Å
331	K	52.5	Low	55.7	Low	122 Å²	122	95 Å²	95	53%	0.53	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-68	154.1	-178.5	-66.4	-161.8	-173.6	177.6	0	110.1	E333 D334	K331-E333 HydrophobicContact CB-CB 4.2Å; K331-E333 HydrophobicContact CB-CG 4.36Å; K331-E333 WeakPolarHBondContact CD-OE1 3.12Å; K331-E333 IonicContact NZ-OE1 2.72Å; K331-E333 PolarHBondContact NZ-OE1 2.93Å; K331-E333 PolarHBondContact O-N 2.89Å; K331-D334 PolarHBondContact N-OD2 2.88Å; K331-D334 WeakPolarHBondContact O-CB 3.38Å; K331-D334 PolarHBondContact O-N 3.13Å
332	P	51.4	Low	57.9	Low	63 Å²	63	98.2 Å²	98.2	41%	0.409	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-59.6	-19.8	174.3	-18.6	30.6	0	0	0	113.3	D334 N398	P332-D334 VanDerWaalsContact C-N 3.31Å; P332-N398 HydrophobicContact CB-CB 3.39Å
333	E	57.4	Low	59.9	Low	147 Å²	147	89.8 Å²	89.8	69%	0.687	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-68.6	-22.1	173.8	-53.4	170	-112.9	0	0	113.6	K331	K331-E333 HydrophobicContact CB-CB 4.2Å; K331-E333 HydrophobicContact CB-CG 4.36Å; K331-E333 WeakPolarHBondContact CD-OE1 3.12Å; K331-E333 IonicContact NZ-OE1 2.72Å; K331-E333 PolarHBondContact NZ-OE1 2.93Å; K331-E333 PolarHBondContact O-N 2.89Å
334	D	64	Low	62.4	Low	84 Å²	84	83.7 Å²	83.7	45%	0.449	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-83.9	-14	-172.5	-62	-31.5	0	0	0	113.3	R330 K331 P332 K336	R330-D334 HydrophobicContact CB-CB 4.28Å; K331-D334 PolarHBondContact N-OD2 2.88Å; K331-D334 WeakPolarHBondContact O-CB 3.38Å; K331-D334 PolarHBondContact O-N 3.13Å; P332-D334 VanDerWaalsContact C-N 3.31Å; D334-K336 PolarHBondContact O-N 2.97Å
335	Y	71.3	Confident	64.8	Low	31 Å²	31	82.4 Å²	82.4	12%	0.122	45%	0.445	C	S	.	.			trans	-82.1	102.6	-177.5	-71.9	-78.1	0	0	0	111.8	V481	Y335-V481 HydrophobicContact CD1-CG2 4.16Å
336	K	83.7	Confident	67.5	Low	150 Å²	150	77 Å²	77	65%	0.652	41%	0.411	S	S	*	.			trans	-89.9	141.7	173.2	-63	178.1	-176.6	177.2	0	110.5	D334 T339 V481	D334-K336 PolarHBondContact O-N 2.97Å; K336-T339 WeakPolarHBondContact O-CB 3.49Å; K336-T339 PolarHBondContact O-OG1 2.77Å; K336-V481 WeakPolarHBondContact O-CG1 3.34Å
337	C	91.7	Very high	69.7	Low	25 Å²	25	76.9 Å²	76.9	17%	0.169	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	156.7	173.1	62.6	0	0	0	0	111.3	T339 Q393 P482 C484	C337-T339 PolarHBondContact O-N 3Å; C337-T339 PolarHBondContact O-OG1 2.9Å; C337-Q393 HydrophobicContact CB-CG 4.31Å; C337-P482 CarbonylContact C-O 3.53Å; C337-P482 VanDerWaalsContact CA-O 3.28Å; C337-P482 WeakPolarHBondContact CA-O 3.48Å; C337-P482 HydrophobicContact CB-CG 4.24Å; C337-C484 HydrophobicContact CB-CB 4.04Å; C337-C484 WeakPolarHBondContact CB-SG 3.2Å; C337-C484 PolarHBondContact O-SG 3.1Å; C337-C484 WeakPolarHBondContact SG-CA 3.35Å; C337-C484 WeakPolarHBondContact SG-CB 3.47Å; C337-C484 CovalentContact SG-SG 2.05Å; C337-C484 PolarHBondContact SG-SG 3.03Å
338	G	91.5	Very high	71.7	Confident	1 Å²	1	74 Å²	74	1%	0.01	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	14.3	175.5	0	0	0	0	0	114.6	P482 W572	G338-P482 PolarHBondContact N-O 2.75Å; G338-W572 VanDerWaalsContact CA-O 3.24Å; G338-W572 WeakPolarHBondContact CA-O 3.33Å; G338-W572 VanDerWaalsContact O-CD1 3.27Å; G338-W572 PolarHBondContact O-N 2.86Å
339	T	90.5	Very high	72.8	Confident	64 Å²	64	72 Å²	72	39%	0.393	37%	0.365	S	S	.	.			trans	-120.8	96.2	-173.3	-45.9	0	0	0	0	108.9	K336 C337	K336-T339 WeakPolarHBondContact O-CB 3.49Å; K336-T339 PolarHBondContact O-OG1 2.77Å; C337-T339 PolarHBondContact O-N 3Å; C337-T339 PolarHBondContact O-OG1 2.9Å
340	P	87.9	Confident	73	Confident	28 Å²	28	70.5 Å²	70.5	18%	0.182	36%	0.361	C	S	.	.			trans	-71.3	157.2	179.1	31.8	-35.3	0	0	0	110.9	I346 P368 W369	P340-I346 HydrophobicContact CG-CD1 3.92Å; P340-I346 HydrophobicContact CG-CG1 4.27Å; P340-P368 HydrophobicContact CB-CG 4.28Å; P340-W369 HydrophobicContact CB-CH2 4.4Å; P340-W369 HydrophobicContact CB-CZ3 4.39Å; P340-W369 HydrophobicContact CG-CH2 4.3Å
341	A	81.9	Confident	72.3	Confident	11 Å²	11	74.3 Å²	74.3	9%	0.091	38%	0.382	C	S	.	.			trans	-62.9	140.2	178.8	0	0	0	0	0	111.7	H343 F344 D478	A341-H343 PolarHBondContact O-N 2.8Å; A341-F344 HydrophobicContact CB-CD2 4.05Å; A341-F344 CarbonylContact O-C 3.52Å; A341-F344 PolarHBondContact O-N 3.34Å; A341-D478 HydrophobicContact CB-CB 3.76Å; A341-D478 WeakPolarHBondContact CB-OD1 3.37Å
342	E	77.4	Confident	71.5	Confident	147 Å²	147	71 Å²	71	69%	0.687	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.6	-175	-70.6	161.5	-129.7	0	0	113.8	R330	R330-E342 IonicContact CZ-OE1 3.5Å; R330-E342 IonicContact NH1-OE1 3.45Å; R330-E342 PolarHBondContact NH1-OE1 3.36Å; R330-E342 IonicContact NH2-OE1 2.61Å; R330-E342 PolarHBondContact NH2-OE1 3.16Å
343	H	72.7	Confident	70.4	Confident	74 Å²	74	77.5 Å²	77.5	34%	0.343	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.2	178.8	58.7	-85.1	0	0	0	114.3	A341 P345 D478	A341-H343 PolarHBondContact O-N 2.8Å; H343-P345 VanDerWaalsContact O-CD 3.23Å; H343-P345 WeakPolarHBondContact O-CD 3.31Å; H343-D478 IonicContact CE1-OD1 3.27Å; H343-D478 IonicContact CE1-OD2 3.88Å
344	F	80.2	Confident	69	Low	13 Å²	13	75 Å²	75	6%	0.057	40%	0.396	C	S	.	.	S	Bend	trans	-113.5	62.4	166.9	-52.8	-51.6	0	0	0	110.8	A341 I346 K364 H365 S366 D478 I479 E623	A341-F344 HydrophobicContact CB-CD2 4.05Å; A341-F344 CarbonylContact O-C 3.52Å; A341-F344 PolarHBondContact O-N 3.34Å; F344-I346 PolarHBondContact O-N 2.99Å; F344-K364 VanDerWaalsContact CD1-O 3.28Å; F344-K364 WeakPolarHBondContact CD1-O 3.21Å; F344-H365 HydrophobicContact CD1-CB 4.26Å; F344-H365 HydrophobicContact CD2-CB 3.78Å; F344-H365 HydrophobicContact CE1-CB 4.46Å; F344-H365 HydrophobicContact CE2-CB 4Å; F344-H365 HydrophobicContact CG-CB 3.94Å; F344-H365 HydrophobicContact CZ-CB 4.36Å; F344-S366 VanDerWaalsContact O-CA 3.32Å; F344-S366 WeakPolarHBondContact O-CA 3.41Å; F344-S366 WeakPolarHBondContact O-CB 3.45Å; F344-D478 HydrophobicContact CD2-CB 4.47Å; F344-D478 HydrophobicContact CE2-CB 3.93Å; F344-I479 HydrophobicContact CE2-CG2 3.86Å; F344-I479 HydrophobicContact CZ-CG2 4.41Å; F344-E623 HydrophobicContact CE1-CG 4.29Å; F344-E623 WeakPolarHBondContact CE1-OE1 3.33Å; F344-E623 HydrophobicContact CZ-CG 3.68Å
345	P	81.7	Confident	67.6	Low	69 Å²	69	73.8 Å²	73.8	45%	0.448	39%	0.385	S	S	.	.			trans	-65.6	136.7	-175.8	28.1	-35.4	0	0	0	111.1	H343 K347 N363	H343-P345 VanDerWaalsContact O-CD 3.23Å; H343-P345 WeakPolarHBondContact O-CD 3.31Å; P345-K347 PolarHBondContact O-N 2.89Å; P345-N363 PolarHBondContact O-ND2 3.32Å
346	I	86.2	Confident	66.2	Low	23 Å²	23	72.9 Å²	72.9	12%	0.118	38%	0.382	C	S	.	.			trans	-71.5	118.3	171.1	-64.8	169.2	0	0	0	109.1	P340 F344 M348 S366 L367 W369 I499 M519 W572	P340-I346 HydrophobicContact CG-CD1 3.92Å; P340-I346 HydrophobicContact CG-CG1 4.27Å; F344-I346 PolarHBondContact O-N 2.99Å; I346-M348 HydrophobicContact CG2-SD 4.21Å; I346-S366 WeakPolarHBondContact CD1-O 3.48Å; I346-S366 WeakPolarHBondContact CG1-O 3.5Å; I346-L367 HydrophobicContact CD1-CD2 3.62Å; I346-L367 HydrophobicContact CG1-CD2 3.96Å; I346-W369 HydrophobicContact CD1-CH2 3.99Å; I346-W369 HydrophobicContact CD1-CZ2 4.06Å; I346-I499 HydrophobicContact CG2-CD1 3.43Å; I346-I499 VanDerWaalsContact CG2-CD1 3.43Å; I346-M519 HydrophobicContact CG2-CE 4.11Å; I346-W572 HydrophobicContact CD1-CZ2 4.14Å; I346-W572 HydrophobicContact CG2-CZ2 4.33Å
347	K	77.2	Confident	64.2	Low	111 Å²	111	66.7 Å²	66.7	48%	0.483	36%	0.358	S	S	.	.			trans	-87	114.1	174.4	-73.3	172.5	-176.9	153.5	0	110.2	P345 S349 W360 N363 M519	P345-K347 PolarHBondContact O-N 2.89Å; K347-S349 VanDerWaalsContact C-N 3.33Å; K347-W360 WeakPolarHBondContact O-CZ2 3.24Å; K347-W360 PolarHBondContact O-NE1 3.36Å; K347-N363 WeakPolarHBondContact CD-OD1 3.43Å; K347-N363 VanDerWaalsContact CE-ND2 3.35Å; K347-N363 WeakPolarHBondContact CE-ND2 3.46Å; K347-N363 VanDerWaalsContact CE-OD1 3.29Å; K347-N363 WeakPolarHBondContact CE-OD1 3.4Å; K347-N363 PolarHBondContact NZ-OD1 3.47Å; K347-M519 WeakPolarHBondContact O-CE 3.45Å
348	M	75	Confident	62.3	Low	49 Å²	49	67.1 Å²	67.1	24%	0.241	37%	0.366	C	S	.	.			trans	-81.5	-5.3	178.2	-66.1	-62	-68.7	0	0	114.3	I346 W360 I499 V521 W572	I346-M348 HydrophobicContact CG2-SD 4.21Å; M348-W360 VanDerWaalsContact C-CZ2 3.47Å; M348-W360 WeakPolarHBondContact O-CH2 3.3Å; M348-W360 WeakPolarHBondContact O-CZ2 3.48Å; M348-I499 HydrophobicContact CE-CG1 4.28Å; M348-I499 HydrophobicContact SD-CD1 3.69Å; M348-I499 HydrophobicContact SD-CG1 3.94Å; M348-V521 HydrophobicContact CE-CG1 4.16Å; M348-V521 HydrophobicContact CE-CG2 3.66Å; M348-V521 HydrophobicContact SD-CG2 4.24Å; M348-W572 HydrophobicContact CE-CH2 4.25Å; M348-W572 HydrophobicContact SD-CH2 3.77Å; M348-W572 HydrophobicContact SD-CZ2 4.19Å
349	S	59.7	Low	60.7	Low	84 Å²	84	67.6 Å²	67.6	59%	0.587	37%	0.371	S	S	*	.	S	Bend	trans	-135.3	137.4	-179.7	57.4	0	0	0	0	112.2	K347 K351	K347-S349 VanDerWaalsContact C-N 3.33Å; S349-K351 PolarHBondContact O-N 2.85Å
350	A	48.3	Very low	59.7	Low	53 Å²	53	66 Å²	66	44%	0.438	36%	0.358	S	S	.	.			trans	-72.2	110.1	179.3	0	0	0	0	0	111.6	G352 W360	A350-G352 PolarHBondContact O-N 3.3Å; A350-W360 HydrophobicContact CB-CB 4.3Å; A350-W360 HydrophobicContact CB-CD2 3.93Å; A350-W360 HydrophobicContact CB-CE3 3.7Å; A350-W360 HydrophobicContact CB-CG 4.21Å; A350-W360 HydrophobicContact CB-CZ3 4.3Å
351	K	36.9	Very low	59	Low	212 Å²	212	68.1 Å²	68.1	92%	0.922	37%	0.365	S	S	*	.	S	Bend	trans	-91.3	82.7	158.9	-76.5	-169.3	175	-174	0	109	S349	S349-K351 PolarHBondContact O-N 2.85Å
352	G	34.7	Very low	58.9	Low	53 Å²	53	67.8 Å²	67.8	55%	0.546	36%	0.363	S	S	.	.	S	Bend	trans	116	129.6	-179.9	0	0	0	0	0	112.6	A350 N354	A350-G352 PolarHBondContact O-N 3.3Å; G352-N354 PolarHBondContact O-N 3.43Å
353	F	28.8	Very low	59	Low	199 Å²	199	62.6 Å²	62.6	87%	0.873	34%	0.339	S	S	*	.			trans	-76.4	112.8	-177.8	-60.9	-89.9	0	0	0	111
354	N	27	Very low	59.2	Low	93 Å²	93	61.6 Å²	61.6	50%	0.497	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	179.1	119.3	158.1	-98.9	-33.1	0	0	0	113.8	G352 W360	G352-N354 PolarHBondContact O-N 3.43Å; N354-W360 WeakPolarHBondContact O-CA 3.4Å
355	R	36.2	Very low	59.4	Low	59 Å²	59	61.4 Å²	61.4	22%	0.223	33%	0.333	C	S	.	.	S	Bend	trans	111.6	142.3	148	-63.5	-172.4	-100.2	-158.5	2.4	120	G359 W360 E361 T506 E516	R355-G359 CarbonylContact O-C 3.55Å; R355-G359 WeakPolarHBondContact O-CA 3.24Å; R355-G359 PolarHBondContact O-N 3.44Å; R355-G359 VanDerWaalsContact O-O 3.05Å; R355-W360 PolarHBondContact O-N 3.44Å; R355-E361 IonicContact CZ-OE2 2.97Å; R355-E361 IonicContact NH2-OE2 3.95Å; R355-E361 PolarHBondContact NH2-OE2 3.05Å; R355-T506 HydrophobicContact CB-CG2 4.35Å; R355-E516 IonicContact CZ-OE2 3.33Å; R355-E516 IonicContact NH1-OE2 3.62Å; R355-E516 PolarHBondContact NH1-OE2 3Å; R355-E516 IonicContact NH2-OE2 2.64Å
356	I	41.5	Very low	59.8	Low	13 Å²	13	58.1 Å²	58.1	7%	0.067	31%	0.312	C	S	.	.	S	Bend	trans	62.4	150.5	-161.5	-59.9	-175.7	0	0	0	110.6	G358 G359 T506 S518 G552	I356-G358 PolarHBondContact O-N 2.76Å; I356-G359 PolarHBondContact O-N 3.47Å; I356-T506 CarbonylContact C-O 3.59Å; I356-T506 HydrophobicContact CG1-CG2 4.21Å; I356-T506 VanDerWaalsContact N-CG2 3.31Å; I356-S518 VanDerWaalsContact CD1-CB 3.47Å; I356-G552 WeakPolarHBondContact CG2-O 3.42Å
357	S	40.6	Very low	60.1	Low	20 Å²	20	57.3 Å²	57.3	14%	0.14	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	115.1	170.4	-52.4	0	0	0	0	107.5	G359 T506 R550 G551 G552 S586	S357-G359 VanDerWaalsContact C-N 3.28Å; S357-G359 PolarHBondContact O-N 3.45Å; S357-G359 VanDerWaalsContact O-N 3.16Å; S357-T506 PolarHBondContact N-O 3.12Å; S357-T506 PolarHBondContact OG-O 2.91Å; S357-R550 CarbonylContact C-O 3.54Å; S357-R550 WeakPolarHBondContact CB-O 3.19Å; S357-R550 CarbonylContact O-C 3.58Å; S357-G551 WeakPolarHBondContact O-CA 3.43Å; S357-G552 PolarHBondContact O-N 3.45Å; S357-S586 WeakPolarHBondContact CB-OG 3.36Å; S357-S586 PolarHBondContact OG-OG 3.05Å; S357-S586 VanDerWaalsContact OG-OG 3.1Å
358	G	52.2	Low	60.9	Low	34 Å²	34	52.1 Å²	52.1	35%	0.351	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	5.9	-176.3	0	0	0	0	0	119.1	I356 N549	I356-G358 PolarHBondContact O-N 2.76Å; G358-N549 WeakPolarHBondContact CA-O 3.48Å
359	G	58.9	Low	61.9	Low	10 Å²	10	49.9 Å²	49.9	10%	0.103	27%	0.274	C	S	.	.			trans	-101	-164.8	-172.2	0	0	0	0	0	116.7	R355 I356 S357 M519	R355-G359 CarbonylContact O-C 3.55Å; R355-G359 WeakPolarHBondContact O-CA 3.24Å; R355-G359 PolarHBondContact O-N 3.44Å; R355-G359 VanDerWaalsContact O-O 3.05Å; I356-G359 PolarHBondContact O-N 3.47Å; S357-G359 VanDerWaalsContact C-N 3.28Å; S357-G359 PolarHBondContact O-N 3.45Å; S357-G359 VanDerWaalsContact O-N 3.16Å; G359-M519 CarbonylContact C-O 3.45Å; G359-M519 VanDerWaalsContact CA-O 3.3Å; G359-M519 WeakPolarHBondContact CA-O 3.31Å
360	W	67.8	Low	63.6	Low	31 Å²	31	46.1 Å²	46.1	12%	0.117	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	166.5	170.6	55.1	96.3	0	0	0	112.4	K347 M348 A350 N354 R355 A362 S518 M519 V521	K347-W360 WeakPolarHBondContact O-CZ2 3.24Å; K347-W360 PolarHBondContact O-NE1 3.36Å; M348-W360 VanDerWaalsContact C-CZ2 3.47Å; M348-W360 WeakPolarHBondContact O-CH2 3.3Å; M348-W360 WeakPolarHBondContact O-CZ2 3.48Å; A350-W360 HydrophobicContact CB-CB 4.3Å; A350-W360 HydrophobicContact CB-CD2 3.93Å; A350-W360 HydrophobicContact CB-CE3 3.7Å; A350-W360 HydrophobicContact CB-CG 4.21Å; A350-W360 HydrophobicContact CB-CZ3 4.3Å; N354-W360 WeakPolarHBondContact O-CA 3.4Å; R355-W360 PolarHBondContact O-N 3.44Å; W360-A362 PolarHBondContact O-N 3.27Å; W360-S518 CarbonylContact O-C 3.4Å; W360-S518 WeakPolarHBondContact O-CA 3.45Å; W360-M519 HydrophobicContact CZ2-CE 3.98Å; W360-M519 PolarHBondContact N-O 3.48Å; W360-M519 PolarHBondContact O-N 3.49Å; W360-M519 VanDerWaalsContact O-O 3.05Å; W360-V521 HydrophobicContact CH2-CB 4.05Å; W360-V521 HydrophobicContact CH2-CG2 3.54Å; W360-V521 HydrophobicContact CZ2-CG2 3.9Å
361	E	74.6	Confident	65.8	Low	73 Å²	73	43.6 Å²	43.6	34%	0.341	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	133.1	171.2	-169.1	-176.6	152.2	0	0	111.1	R355 H430 E516	R355-E361 IonicContact CZ-OE2 2.97Å; R355-E361 IonicContact NH2-OE2 3.95Å; R355-E361 PolarHBondContact NH2-OE2 3.05Å; E361-H430 IonicContact OE1-CD2 3.02Å; E361-H430 IonicContact OE1-CE1 2.73Å; E361-H430 IonicContact OE1-NE2 3.67Å; E361-H430 PolarHBondContact OE1-NE2 3.32Å; E361-E516 HydrophobicContact CG-CB 3.91Å
362	A	79	Confident	68.4	Low	4 Å²	4	33.6 Å²	33.6	3%	0.033	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-63.7	152.6	176.5	0	0	0	0	0	110.9	W360 K364 L367 H430 L517 M519	W360-A362 PolarHBondContact O-N 3.27Å; A362-K364 PolarHBondContact O-N 3.21Å; A362-L367 HydrophobicContact CB-CD1 4.14Å; A362-H430 PolarHBondContact O-CE1 3.04Å; A362-L517 HydrophobicContact CB-CD2 4.43Å; A362-L517 HydrophobicContact CB-CG 4.16Å; A362-L517 WeakPolarHBondContact CB-O 3.04Å; A362-L517 PolarHBondContact N-O 3.03Å; A362-M519 HydrophobicContact CB-CB 4.36Å; A362-M519 HydrophobicContact CB-CG 4Å; A362-M519 HydrophobicContact CB-SD 3.94Å
363	N	80.2	Confident	71.2	Confident	37 Å²	37	31 Å²	31	20%	0.198	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-60.4	136.6	165.4	-102.8	1.6	0	0	0	108.4	P345 K347 H365 S366	P345-N363 PolarHBondContact O-ND2 3.32Å; K347-N363 WeakPolarHBondContact CD-OD1 3.43Å; K347-N363 VanDerWaalsContact CE-ND2 3.35Å; K347-N363 WeakPolarHBondContact CE-ND2 3.46Å; K347-N363 VanDerWaalsContact CE-OD1 3.29Å; K347-N363 WeakPolarHBondContact CE-OD1 3.4Å; K347-N363 PolarHBondContact NZ-OD1 3.47Å; N363-H365 PolarHBondContact O-N 3.11Å; N363-S366 WeakPolarHBondContact CB-OG 3.14Å; N363-S366 WeakPolarHBondContact O-CB 3.45Å; N363-S366 PolarHBondContact O-N 3.42Å; N363-S366 PolarHBondContact O-OG 2.95Å
364	K	77.1	Confident	73.9	Confident	54 Å²	54	21.6 Å²	21.6	24%	0.235	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	128.4	179.9	-161.3	-158.7	179.4	99.8	0	110.2	F344 A362 S366 H430 Y624	F344-K364 VanDerWaalsContact CD1-O 3.28Å; F344-K364 WeakPolarHBondContact CD1-O 3.21Å; A362-K364 PolarHBondContact O-N 3.21Å; K364-S366 PolarHBondContact O-N 3.07Å; K364-H430 HydrophobicContact CG-CB 3.91Å; K364-Y624 WeakPolarHBondContact CE-O 3.12Å; K364-Y624 PolarHBondContact NZ-O 3.18Å
365	H	84.6	Confident	76.2	Confident	8 Å²	8	17.8 Å²	17.8	4%	0.037	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	7.1	-178.5	-53.1	-62.2	0	0	0	116.8	F344 N363 L367 G428 I479 E623	F344-H365 HydrophobicContact CD1-CB 4.26Å; F344-H365 HydrophobicContact CD2-CB 3.78Å; F344-H365 HydrophobicContact CE1-CB 4.46Å; F344-H365 HydrophobicContact CE2-CB 4Å; F344-H365 HydrophobicContact CG-CB 3.94Å; F344-H365 HydrophobicContact CZ-CB 4.36Å; N363-H365 PolarHBondContact O-N 3.11Å; H365-L367 PolarHBondContact O-N 3.42Å; H365-L367 VanDerWaalsContact O-N 3.13Å; H365-G428 PolarHBondContact CE1-O 3.34Å; H365-G428 PolarHBondContact ND1-O 2.99Å; H365-G428 VanDerWaalsContact ND1-O 3.17Å; H365-I479 HydrophobicContact CB-CB 4.13Å; H365-I479 HydrophobicContact CB-CG2 3.71Å; H365-I479 VanDerWaalsContact CG-CG2 3.44Å; H365-E623 VanDerWaalsContact CD2-CG 3.45Å; H365-E623 WeakPolarHBondContact CD2-CG 3.49Å
366	S	89.2	Confident	77.7	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-69.8	-11.8	-177.3	70.1	0	0	0	0	114.9	F344 I346 N363 K364 P368	F344-S366 VanDerWaalsContact O-CA 3.32Å; F344-S366 WeakPolarHBondContact O-CA 3.41Å; F344-S366 WeakPolarHBondContact O-CB 3.45Å; I346-S366 WeakPolarHBondContact CD1-O 3.48Å; I346-S366 WeakPolarHBondContact CG1-O 3.5Å; N363-S366 WeakPolarHBondContact CB-OG 3.14Å; N363-S366 WeakPolarHBondContact O-CB 3.45Å; N363-S366 PolarHBondContact O-N 3.42Å; N363-S366 PolarHBondContact O-OG 2.95Å; K364-S366 PolarHBondContact O-N 3.07Å; S366-P368 WeakPolarHBondContact O-CD 3.03Å
367	L	92.7	Very high	78.3	Confident	6 Å²	6	20 Å²	20	3%	0.031	12%	0.115	C	C	.	.	S	Bend	trans	-120.6	64.6	178.5	-61.2	172.5	0	0	0	109.7	I346 A362 H365 W369 T370 A501 L517 M519	I346-L367 HydrophobicContact CD1-CD2 3.62Å; I346-L367 HydrophobicContact CG1-CD2 3.96Å; A362-L367 HydrophobicContact CB-CD1 4.14Å; H365-L367 PolarHBondContact O-N 3.42Å; H365-L367 VanDerWaalsContact O-N 3.13Å; L367-W369 HydrophobicContact CD2-CZ2 3.79Å; L367-W369 PolarHBondContact O-N 3.07Å; L367-T370 PolarHBondContact O-N 3.29Å; L367-T370 PolarHBondContact O-OG1 2.98Å; L367-A501 HydrophobicContact CD1-CB 3.42Å; L367-A501 VanDerWaalsContact CD1-CB 3.42Å; L367-L517 HydrophobicContact CB-CD2 4.23Å; L367-L517 HydrophobicContact CD1-CD2 4.31Å; L367-M519 HydrophobicContact CD1-CB 4.36Å; L367-M519 HydrophobicContact CD1-SD 4.47Å
368	P	93.1	Very high	78.8	Confident	3 Å²	3	20.3 Å²	20.3	2%	0.019	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.8	-165.2	31.5	-39.5	0	0	0	114.6	P340 S366 I479 V481	P340-P368 HydrophobicContact CB-CG 4.28Å; S366-P368 WeakPolarHBondContact O-CD 3.03Å; P368-I479 VanDerWaalsContact CB-C 3.45Å; P368-I479 WeakPolarHBondContact CB-O 3.45Å; P368-V481 CarbonylContact C-O 3.55Å; P368-V481 HydrophobicContact CB-CB 4.38Å; P368-V481 HydrophobicContact CG-CB 3.99Å; P368-V481 HydrophobicContact CG-CG2 4.29Å; P368-V481 PolarHBondContact O-N 2.82Å
369	W	96.1	Very high	78.5	Confident	1 Å²	1	27.2 Å²	27.2	0%	0.004	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-20.4	172.9	42.7	78.1	0	0	0	113.5	P340 I346 L367 V371 A390 L391 V481 V483 V563 W572	P340-W369 HydrophobicContact CB-CH2 4.4Å; P340-W369 HydrophobicContact CB-CZ3 4.39Å; P340-W369 HydrophobicContact CG-CH2 4.3Å; I346-W369 HydrophobicContact CD1-CH2 3.99Å; I346-W369 HydrophobicContact CD1-CZ2 4.06Å; L367-W369 HydrophobicContact CD2-CZ2 3.79Å; L367-W369 PolarHBondContact O-N 3.07Å; W369-V371 PolarHBondContact O-N 3.31Å; W369-A390 CarbonylContact O-C 3.51Å; W369-A390 WeakPolarHBondContact O-CA 3.38Å; W369-L391 PolarHBondContact O-N 2.76Å; W369-V481 VanDerWaalsContact CA-O 3.24Å; W369-V481 WeakPolarHBondContact CA-O 2.85Å; W369-V481 VanDerWaalsContact CB-O 3.28Å; W369-V481 WeakPolarHBondContact CB-O 3.1Å; W369-V481 PolarHBondContact N-O 3.23Å; W369-V483 HydrophobicContact CB-CB 3.88Å; W369-V483 HydrophobicContact CB-CG1 4.44Å; W369-V483 HydrophobicContact CD2-CB 3.99Å; W369-V483 HydrophobicContact CD2-CG2 4.32Å; W369-V483 HydrophobicContact CE3-CB 4.43Å; W369-V483 HydrophobicContact CG-CB 3.73Å; W369-V483 HydrophobicContact CG-CG2 4.41Å; W369-V563 HydrophobicContact CZ2-CG2 4.42Å; W369-W572 HydrophobicContact CH2-CB 3.92Å; W369-W572 AromaticContact CH2-CD1 3.7Å; W369-W572 AromaticContact CH2-CG 3.91Å; W369-W572 HydrophobicContact CH2-CG 3.91Å; W369-W572 HydrophobicContact CZ2-CB 4.08Å; W369-W572 HydrophobicContact CZ2-CG 4.14Å
370	T	95.4	Very high	77.8	Confident	5 Å²	5	29.7 Å²	29.7	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127	-173	-51.8	0	0	0	0	110.3	L367 W503 L517	L367-T370 PolarHBondContact O-N 3.29Å; L367-T370 PolarHBondContact O-OG1 2.98Å; T370-W503 HydrophobicContact CG2-CH2 4.14Å; T370-W503 HydrophobicContact CG2-CZ3 3.9Å; T370-L517 HydrophobicContact CG2-CD1 4.19Å
371	V	95.5	Very high	76.5	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	150.1	178.6	-57.4	0	0	0	0	111.1	W369 I373 G388 G389 L391 V403 V425 F426 V427	W369-V371 PolarHBondContact O-N 3.31Å; V371-I373 HydrophobicContact CG2-CG1 4.41Å; V371-G388 CarbonylContact O-C 3.56Å; V371-G388 WeakPolarHBondContact O-CA 3.49Å; V371-G389 PolarHBondContact N-O 3.05Å; V371-G389 PolarHBondContact O-N 3Å; V371-L391 HydrophobicContact CG1-CD1 4.32Å; V371-L391 HydrophobicContact CG1-CD2 4.13Å; V371-L391 HydrophobicContact CG1-CG 3.75Å; V371-V403 HydrophobicContact CG2-CG1 3.68Å; V371-V403 HydrophobicContact CG2-CG2 4.18Å; V371-V425 HydrophobicContact CB-CG1 3.83Å; V371-V425 HydrophobicContact CG1-CG1 4.28Å; V371-V425 HydrophobicContact CG2-CG1 3.82Å; V371-F426 WeakPolarHBondContact CA-O 3.48Å; V371-F426 WeakPolarHBondContact CB-O 3.25Å; V371-V427 HydrophobicContact CG1-CB 4.46Å; V371-V427 HydrophobicContact CG1-CG1 3.89Å
372	L	91.9	Very high	74.7	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.9	168.2	-178.3	74.9	0	0	0	109	L386 V425 F426 I429 Q432 W503	L372-L386 HydrophobicContact CD1-CB 4.35Å; L372-L386 HydrophobicContact CD1-CD2 4.39Å; L372-L386 HydrophobicContact CD2-CD2 4.48Å; L372-V425 CarbonylContact O-C 3.54Å; L372-V425 WeakPolarHBondContact O-CA 3.24Å; L372-F426 HydrophobicContact CB-CB 4.24Å; L372-F426 HydrophobicContact CB-CD2 4.41Å; L372-F426 HydrophobicContact CD2-CD2 4.31Å; L372-F426 HydrophobicContact CG-CD2 4.48Å; L372-F426 PolarHBondContact N-O 3.33Å; L372-F426 PolarHBondContact O-N 2.87Å; L372-I429 HydrophobicContact CB-CD1 3.9Å; L372-I429 HydrophobicContact CD2-CD1 4.17Å; L372-Q432 HydrophobicContact CD2-CB 3.69Å; L372-W503 HydrophobicContact CB-CE3 3.9Å; L372-W503 HydrophobicContact CB-CH2 4.37Å; L372-W503 HydrophobicContact CB-CZ3 3.83Å; L372-W503 HydrophobicContact CD1-CB 4.26Å; L372-W503 HydrophobicContact CD1-CD2 4.19Å; L372-W503 HydrophobicContact CD1-CE3 3.76Å; L372-W503 HydrophobicContact CD1-CG 4.42Å; L372-W503 HydrophobicContact CG-CE3 4.41Å
373	I	92.2	Very high	73	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.1	175.7	-54.9	176.3	0	0	0	107.7	V371 C387 G388 V403 T405 K424 V425 I468	V371-I373 HydrophobicContact CG2-CG1 4.41Å; I373-C387 HydrophobicContact CB-CB 4.26Å; I373-C387 PolarHBondContact N-O 3.14Å; I373-C387 PolarHBondContact O-N 2.99Å; I373-G388 WeakPolarHBondContact CD1-O 3.37Å; I373-V403 HydrophobicContact CD1-CG1 4.35Å; I373-T405 HydrophobicContact CD1-CG2 3.84Å; I373-T405 WeakPolarHBondContact CD1-OG1 3.1Å; I373-K424 CarbonylContact C-O 3.54Å; I373-K424 WeakPolarHBondContact CA-O 3Å; I373-V425 HydrophobicContact CG1-CG2 4.46Å; I373-I468 HydrophobicContact CD1-CD1 3.71Å
374	S	86.1	Confident	71.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.8	171.7	-173.7	0	0	0	0	110.7	S376 K424	S374-S376 PolarHBondContact OG-N 2.97Å; S374-S376 PolarHBondContact OG-O 2.94Å; S374-S376 PolarHBondContact OG-OG 3.37Å; S374-K424 PolarHBondContact N-O 2.68Å; S374-K424 PolarHBondContact O-N 3.32Å
375	N	75.9	Confident	71.1	Confident	14 Å²	14	34.8 Å²	34.8	8%	0.075	19%	0.188	C	C	.	.	S	Bend	trans	-103	10.5	170.6	-69.2	-78.6	0	0	0	112.8	C409 R418	N375-C409 PolarHBondContact ND2-O 3.11Å; N375-R418 VanDerWaalsContact CG-CD 3.46Å; N375-R418 WeakPolarHBondContact OD1-CD 3.16Å
376	S	66.5	Low	70.9	Confident	31 Å²	31	34.7 Å²	34.7	22%	0.217	19%	0.187	C	C	.	.	S	Bend	trans	-137.1	166	-179.4	63.8	0	0	0	0	111.3	S374 L378 G384	S374-S376 PolarHBondContact OG-N 2.97Å; S374-S376 PolarHBondContact OG-O 2.94Å; S374-S376 PolarHBondContact OG-OG 3.37Å; S376-L378 PolarHBondContact O-N 3.42Å; S376-G384 WeakPolarHBondContact OG-CA 3.29Å
377	D	54.6	Low	71	Confident	87 Å²	87	35 Å²	35	47%	0.465	19%	0.189	S	C	.	.			trans	-72.3	127.6	174.2	-155.4	25.1	0	0	0	109.9	K379 N380 K424	D377-K379 PolarHBondContact O-N 3.44Å; D377-K379 IonicContact OD2-NZ 3.91Å; D377-N380 PolarHBondContact O-N 2.94Å; D377-K424 IonicContact OD1-NZ 2.76Å; D377-K424 PolarHBondContact OD1-NZ 2.95Å
378	L	50.4	Low	70.9	Confident	26 Å²	26	34.8 Å²	34.8	14%	0.136	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-8.9	-170.7	-81.9	-176.2	0	0	0	114.7	S376 N380 F426	S376-L378 PolarHBondContact O-N 3.42Å; L378-N380 PolarHBondContact O-N 2.99Å; L378-F426 HydrophobicContact CD1-CD1 4.29Å; L378-F426 HydrophobicContact CD1-CE1 3.43Å; L378-F426 VanDerWaalsContact CD1-CE1 3.43Å; L378-F426 HydrophobicContact CD1-CE2 4Å; L378-F426 HydrophobicContact CD1-CZ 3.27Å; L378-F426 HydrophobicContact CD2-CE2 4.49Å; L378-F426 HydrophobicContact CD2-CZ 4.46Å; L378-F426 HydrophobicContact CG-CE1 4.43Å; L378-F426 HydrophobicContact CG-CE2 4.3Å; L378-F426 HydrophobicContact CG-CZ 3.81Å
379	K	46.6	Very low	71.1	Confident	179 Å²	179	34.6 Å²	34.6	78%	0.778	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.4	176.5	-65.5	173.8	-173.7	153.5	0	113.4	D377	D377-K379 PolarHBondContact O-N 3.44Å; D377-K379 IonicContact OD2-NZ 3.91Å
380	N	43.8	Very low	71.2	Confident	62 Å²	62	34.6 Å²	34.6	33%	0.332	19%	0.188	S	C	.	.			trans	-134.2	81.9	172.2	-163.1	-3.5	0	0	0	111.7	D377 L378 A382 E383	D377-N380 PolarHBondContact O-N 2.94Å; L378-N380 PolarHBondContact O-N 2.99Å; N380-A382 PolarHBondContact O-N 3.36Å; N380-A382 VanDerWaalsContact O-N 3.12Å; N380-E383 HydrophobicContact CB-CB 4.46Å; N380-E383 WeakPolarHBondContact ND2-CG 3.3Å; N380-E383 PolarHBondContact ND2-OE1 2.87Å; N380-E383 PolarHBondContact ND2-OE2 2.81Å; N380-E383 PolarHBondContact O-N 2.89Å; N380-E383 VanDerWaalsContact O-N 3.09Å
381	P	40.6	Very low	71.2	Confident	16 Å²	16	34.4 Å²	34.4	10%	0.104	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.8	-177.4	28.9	-35	0	0	0	113.7	F433	P381-F433 HydrophobicContact CB-CD1 4.43Å; P381-F433 HydrophobicContact CB-CE1 3.48Å; P381-F433 VanDerWaalsContact CB-CE1 3.48Å; P381-F433 HydrophobicContact CB-CZ 3.95Å; P381-F433 HydrophobicContact CG-CD1 4.29Å; P381-F433 HydrophobicContact CG-CE1 3.65Å; P381-F433 HydrophobicContact CG-CZ 4.03Å
382	A	36.2	Very low	71.3	Confident	76 Å²	76	34.4 Å²	34.4	63%	0.628	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-18.2	173	0	0	0	0	0	113.6	N380	N380-A382 PolarHBondContact O-N 3.36Å; N380-A382 VanDerWaalsContact O-N 3.12Å
383	E	44.7	Very low	71.2	Confident	151 Å²	151	36 Å²	36	71%	0.706	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-9.5	177.4	-75.8	174.7	167.5	0	0	113.1	N380	N380-E383 HydrophobicContact CB-CB 4.46Å; N380-E383 WeakPolarHBondContact ND2-CG 3.3Å; N380-E383 PolarHBondContact ND2-OE1 2.87Å; N380-E383 PolarHBondContact ND2-OE2 2.81Å; N380-E383 PolarHBondContact O-N 2.89Å; N380-E383 VanDerWaalsContact O-N 3.09Å
384	G	53.2	Low	71.1	Confident	5 Å²	5	38 Å²	38	5%	0.052	20%	0.204	C	C	.	.	S	Bend	trans	-87.4	132.1	-176.2	0	0	0	0	0	114.4	S376 L386	S376-G384 WeakPolarHBondContact OG-CA 3.29Å; G384-L386 VanDerWaalsContact C-N 3.26Å; G384-L386 PolarHBondContact O-N 3.22Å
385	N	63.3	Low	71.1	Confident	59 Å²	59	44.4 Å²	44.4	32%	0.316	23%	0.232	S	C	.	.			trans	-72	89.8	153.6	-79.9	35	0	0	0	107.7	R418	N385-R418 PolarHBondContact ND2-NH2 2.91Å; N385-R418 VanDerWaalsContact ND2-NH2 3.18Å
386	L	80.5	Confident	71.4	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	140.8	167.2	-64	-178.7	0	0	0	110	L372 G384 Q432 Y513	L372-L386 HydrophobicContact CD1-CB 4.35Å; L372-L386 HydrophobicContact CD1-CD2 4.39Å; L372-L386 HydrophobicContact CD2-CD2 4.48Å; G384-L386 VanDerWaalsContact C-N 3.26Å; G384-L386 PolarHBondContact O-N 3.22Å; L386-Q432 VanDerWaalsContact CD1-OE1 3.3Å; L386-Y513 HydrophobicContact CB-CE2 4.47Å; L386-Y513 HydrophobicContact CD1-CD2 3.64Å; L386-Y513 HydrophobicContact CD1-CE2 4.2Å; L386-Y513 HydrophobicContact CD1-CG 3.93Å; L386-Y513 HydrophobicContact CG-CD2 4.31Å; L386-Y513 HydrophobicContact CG-CE2 4.38Å
387	C	90.7	Very high	72.1	Confident	6 Å²	6	50.2 Å²	50.2	4%	0.041	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161.8	174.1	-85.5	0	0	0	0	110.4	I373 C409 S558	I373-C387 HydrophobicContact CB-CB 4.26Å; I373-C387 PolarHBondContact N-O 3.14Å; I373-C387 PolarHBondContact O-N 2.99Å; C387-C409 HydrophobicContact CB-CB 3.63Å; C387-C409 WeakPolarHBondContact CB-SG 3.4Å; C387-C409 VanDerWaalsContact SG-CA 3.56Å; C387-C409 WeakPolarHBondContact SG-CB 3.47Å; C387-C409 CovalentContact SG-SG 2.03Å; C387-C409 PolarHBondContact SG-SG 2.95Å; C387-S558 CarbonylContact C-O 3.56Å; C387-S558 WeakPolarHBondContact CA-O 3.41Å; C387-S558 WeakPolarHBondContact CB-O 3.49Å; C387-S558 PolarHBondContact SG-O 3.46Å
388	G	92.4	Very high	73.6	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	173.4	165.4	0	0	0	0	0	113.6	V371 I373 T405 S558 G559	V371-G388 CarbonylContact O-C 3.56Å; V371-G388 WeakPolarHBondContact O-CA 3.49Å; I373-G388 WeakPolarHBondContact CD1-O 3.37Å; G388-T405 PolarHBondContact O-OG1 3.07Å; G388-S558 PolarHBondContact N-O 2.75Å; G388-G559 VanDerWaalsContact C-C 3.46Å; G388-G559 CarbonylContact C-O 3.57Å; G388-G559 CarbonylContact O-C 3.53Å; G388-G559 WeakPolarHBondContact O-CA 3.06Å
389	G	96	Very high	75.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	178.3	169.4	0	0	0	0	0	111	V371 M404 G559	V371-G389 PolarHBondContact N-O 3.05Å; V371-G389 PolarHBondContact O-N 3Å; G389-M404 CarbonylContact C-O 3.59Å; G389-M404 VanDerWaalsContact CA-O 3.24Å; G389-M404 WeakPolarHBondContact CA-O 3.48Å; G389-G559 WeakPolarHBondContact CA-O 3.27Å
390	A	97.7	Very high	77.6	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129	175.7	0	0	0	0	0	111.7	W369 I392 V403 M404 V483 P561	W369-A390 CarbonylContact O-C 3.51Å; W369-A390 WeakPolarHBondContact O-CA 3.38Å; A390-I392 HydrophobicContact CB-CG2 4.3Å; A390-I392 PolarHBondContact O-N 2.74Å; A390-V403 CarbonylContact O-C 3.59Å; A390-V403 VanDerWaalsContact O-CA 3.27Å; A390-V403 WeakPolarHBondContact O-CA 3.14Å; A390-M404 PolarHBondContact N-O 2.85Å; A390-M404 PolarHBondContact O-N 3.18Å; A390-V483 HydrophobicContact CB-CG1 3.99Å; A390-P561 HydrophobicContact CB-CB 3.9Å; A390-P561 HydrophobicContact CB-CG 3.78Å
391	L	97.2	Very high	80	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	124.9	159.5	-66.6	172.2	0	0	0	108.3	W369 V371 T400 V403 V427 L470 T480 P482 V483	W369-L391 PolarHBondContact O-N 2.76Å; V371-L391 HydrophobicContact CG1-CD1 4.32Å; V371-L391 HydrophobicContact CG1-CD2 4.13Å; V371-L391 HydrophobicContact CG1-CG 3.75Å; L391-T400 HydrophobicContact CB-CG2 4.11Å; L391-T400 HydrophobicContact CD2-CG2 3.9Å; L391-T400 HydrophobicContact CG-CG2 4.46Å; L391-V403 HydrophobicContact CD2-CG2 3.83Å; L391-V427 HydrophobicContact CD2-CG1 4.3Å; L391-L470 HydrophobicContact CD2-CD1 4.38Å; L391-T480 HydrophobicContact CD1-CG2 4.44Å; L391-P482 HydrophobicContact CB-CB 4.42Å; L391-P482 CarbonylContact O-C 3.53Å; L391-P482 WeakPolarHBondContact O-CA 3.1Å; L391-P482 WeakPolarHBondContact O-CB 3.32Å; L391-V483 PolarHBondContact O-N 3.49Å
392	I	96.4	Very high	82.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	165.2	179	56.4	156.8	0	0	0	110.1	A390 T400 L402 M404 L467 V483 L485 V602	A390-I392 HydrophobicContact CB-CG2 4.3Å; A390-I392 PolarHBondContact O-N 2.74Å; I392-T400 WeakPolarHBondContact O-CB 3.45Å; I392-T400 PolarHBondContact O-OG1 3.08Å; I392-L402 HydrophobicContact CD1-CD2 3.6Å; I392-L402 HydrophobicContact CD1-CG 3.99Å; I392-L402 HydrophobicContact CG1-CB 4.18Å; I392-L402 HydrophobicContact CG1-CD2 4.03Å; I392-L402 HydrophobicContact CG1-CG 4.05Å; I392-L402 PolarHBondContact N-O 2.72Å; I392-L402 VanDerWaalsContact N-O 3.08Å; I392-M404 HydrophobicContact CD1-CB 4.06Å; I392-M404 HydrophobicContact CG1-CB 4.3Å; I392-M404 HydrophobicContact CG2-CB 3.96Å; I392-M404 HydrophobicContact CG2-CE 4.26Å; I392-L467 HydrophobicContact CD1-CD2 3.9Å; I392-V483 HydrophobicContact CG2-CG1 3.99Å; I392-L485 HydrophobicContact CB-CD2 4.4Å; I392-L485 HydrophobicContact CB-CG 4.47Å; I392-L485 HydrophobicContact CD1-CD1 4.27Å; I392-L485 HydrophobicContact CG2-CD2 3.88Å; I392-L485 HydrophobicContact CG2-CG 4.42Å; I392-V602 HydrophobicContact CD1-CG1 3.99Å
393	Q	90.5	Very high	85.6	Confident	35 Å²	35	38.1 Å²	38.1	16%	0.164	20%	0.203	C	C	.	.			trans	-134.6	138.4	170.3	67.8	176.6	20.9	0	0	110.4	C337 Y476 P482	C337-Q393 HydrophobicContact CB-CG 4.31Å; Q393-Y476 PolarHBondContact OE1-OH 2.9Å; Q393-P482 HydrophobicContact CB-CB 4.25Å; Q393-P482 HydrophobicContact CB-CG 4.07Å; Q393-P482 HydrophobicContact CG-CB 4.31Å; Q393-P482 HydrophobicContact CG-CG 3.91Å
394	L	90.6	Very high	88.1	Confident	43 Å²	43	31.1 Å²	31.1	23%	0.225	17%	0.17	C	C	.	.	S	Bend	trans	-93.4	-28.4	174.4	-56.2	-174.3	0	0	0	112.3	L402 L485 V602 E607	L394-L402 HydrophobicContact CD1-CD2 3.98Å; L394-L402 HydrophobicContact CD2-CD2 4.2Å; L394-L402 HydrophobicContact CG-CD2 3.87Å; L394-L485 HydrophobicContact CD2-CD1 3.94Å; L394-V602 HydrophobicContact CD2-CG1 3.87Å; L394-E607 HydrophobicContact CD1-CG 4.23Å
395	K	85.1	Confident	90.2	Very high	133 Å²	133	30.9 Å²	30.9	58%	0.578	17%	0.168	S	C	*	.	S	Bend	trans	-130.4	149.7	-179.2	-66.8	176.8	-177.6	170.1	0	109.1	E607	K395-E607 WeakPolarHBondContact CE-OE1 3.39Å; K395-E607 IonicContact NZ-OE1 2.8Å; K395-E607 PolarHBondContact NZ-OE1 3.33Å
396	P	81.8	Confident	91.7	Very high	128 Å²	128	28 Å²	28	83%	0.831	15%	0.153	S	C	*	.			trans	-56.2	143.2	169.9	-23.2	34.1	0	0	0	111.1
397	G	82	Confident	92.4	Very high	40 Å²	40	27.8 Å²	27.8	41%	0.412	15%	0.151	S	C	.	.			trans	179.8	-171.6	-177.8	0	0	0	0	0	111	Y476	G397-Y476 WeakPolarHBondContact O-CE2 3.43Å
398	N	85.6	Confident	92.4	Very high	53 Å²	53	28.8 Å²	28.8	28%	0.283	16%	0.155	S	C	.	.	S	Bend	trans	-118.6	12.5	179.6	62.9	1.8	0	0	0	113.6	P332 Y476	P332-N398 HydrophobicContact CB-CB 3.39Å; N398-Y476 VanDerWaalsContact C-CG 3.48Å; N398-Y476 PolarHBondContact O-N 2.85Å
399	R	88.7	Confident	92.3	Very high	94 Å²	94	28.8 Å²	28.8	36%	0.355	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	151.8	-175.7	64.5	-163.7	64.2	-138.9	-26.7	109.6	A473 I474 Y476 E615	R399-A473 HydrophobicContact CB-CB 4.47Å; R399-A473 HydrophobicContact CG-CB 4.4Å; R399-I474 CarbonylContact C-O 3.58Å; R399-I474 WeakPolarHBondContact CA-O 3.44Å; R399-I474 WeakPolarHBondContact CB-O 3.48Å; R399-Y476 VanDerWaalsContact CA-CE1 3.43Å; R399-Y476 PolarHBondContact O-OH 3.48Å; R399-E615 IonicContact CZ-OE1 3.68Å; R399-E615 IonicContact CZ-OE2 3.32Å; R399-E615 IonicContact NH1-OE1 3Å; R399-E615 PolarHBondContact NH1-OE1 3.18Å; R399-E615 VanDerWaalsContact NH1-OE1 3.16Å; R399-E615 IonicContact NH1-OE2 2.83Å; R399-E615 PolarHBondContact NH1-OE2 3.08Å; R399-E615 IonicContact NH2-OE1 3.7Å; R399-E615 PolarHBondContact NH2-OE1 3.42Å; R399-E615 IonicContact NH2-OE2 3.88Å; R399-E615 PolarHBondContact NH2-OE2 2.87Å
400	T	92.8	Very high	92.1	Very high	9 Å²	9	28.8 Å²	28.8	6%	0.055	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.9	170	-172.8	0	0	0	0	111.5	L391 I392 L402 I474 Y476	L391-T400 HydrophobicContact CB-CG2 4.11Å; L391-T400 HydrophobicContact CD2-CG2 3.9Å; L391-T400 HydrophobicContact CG-CG2 4.46Å; I392-T400 WeakPolarHBondContact O-CB 3.45Å; I392-T400 PolarHBondContact O-OG1 3.08Å; T400-L402 PolarHBondContact OG1-N 2.86Å; T400-I474 PolarHBondContact N-O 2.82Å; T400-I474 PolarHBondContact O-N 2.83Å; T400-Y476 HydrophobicContact CG2-CE1 3.94Å; T400-Y476 VanDerWaalsContact N-CE1 3.34Å
401	D	94.5	Very high	91.6	Very high	33 Å²	33	29.7 Å²	29.7	18%	0.176	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	10.5	175.9	58.4	23.1	0	0	0	111.7	K469 L470 P612	D401-K469 HydrophobicContact CB-CD 4.41Å; D401-K469 VanDerWaalsContact CG-CE 3.41Å; D401-K469 CarbonylContact O-C 3.52Å; D401-K469 WeakPolarHBondContact O-CA 3.24Å; D401-K469 WeakPolarHBondContact OD1-CE 3.18Å; D401-K469 IonicContact OD1-NZ 2.73Å; D401-K469 PolarHBondContact OD1-NZ 3.45Å; D401-K469 VanDerWaalsContact OD2-CE 3.22Å; D401-K469 WeakPolarHBondContact OD2-CE 3.48Å; D401-K469 IonicContact OD2-NZ 2.82Å; D401-K469 PolarHBondContact OD2-NZ 2.65Å; D401-L470 PolarHBondContact O-N 2.74Å; D401-P612 HydrophobicContact CB-CB 4.23Å; D401-P612 HydrophobicContact CB-CG 3.9Å; D401-P612 WeakPolarHBondContact OD2-CD 2.99Å
402	L	96.3	Very high	90.6	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.2	-165.3	-160	70	0	0	0	112.1	I392 L394 T400 L467 K469 L609	I392-L402 HydrophobicContact CD1-CD2 3.6Å; I392-L402 HydrophobicContact CD1-CG 3.99Å; I392-L402 HydrophobicContact CG1-CB 4.18Å; I392-L402 HydrophobicContact CG1-CD2 4.03Å; I392-L402 HydrophobicContact CG1-CG 4.05Å; I392-L402 PolarHBondContact N-O 2.72Å; I392-L402 VanDerWaalsContact N-O 3.08Å; L394-L402 HydrophobicContact CD1-CD2 3.98Å; L394-L402 HydrophobicContact CD2-CD2 4.2Å; L394-L402 HydrophobicContact CG-CD2 3.87Å; T400-L402 PolarHBondContact OG1-N 2.86Å; L402-L467 HydrophobicContact CD1-CB 4.33Å; L402-L467 HydrophobicContact CD2-CD1 4.44Å; L402-K469 HydrophobicContact CD1-CD 4.05Å; L402-L609 HydrophobicContact CD1-CD1 3.82Å
403	V	97.5	Very high	89.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.9	176.8	168.3	0	0	0	0	110.2	V371 I373 A390 L391 V425 L467 I468 L470	V371-V403 HydrophobicContact CG2-CG1 3.68Å; V371-V403 HydrophobicContact CG2-CG2 4.18Å; I373-V403 HydrophobicContact CD1-CG1 4.35Å; A390-V403 CarbonylContact O-C 3.59Å; A390-V403 VanDerWaalsContact O-CA 3.27Å; A390-V403 WeakPolarHBondContact O-CA 3.14Å; L391-V403 HydrophobicContact CD2-CG2 3.83Å; V403-V425 HydrophobicContact CG2-CG1 4.28Å; V403-L467 CarbonylContact O-C 3.52Å; V403-L467 WeakPolarHBondContact O-CA 3.37Å; V403-I468 HydrophobicContact CB-CB 4.26Å; V403-I468 HydrophobicContact CG1-CD1 4.44Å; V403-I468 PolarHBondContact N-O 3.08Å; V403-I468 PolarHBondContact O-N 3.06Å; V403-L470 HydrophobicContact CG2-CD1 4.13Å; V403-L470 HydrophobicContact CG2-CD2 4.26Å; V403-L470 HydrophobicContact CG2-CG 4.34Å
404	M	97.7	Very high	88.5	Confident	3 Å²	3	43 Å²	43	2%	0.015	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	136	171	-174.7	172.5	68.3	0	0	110.1	G389 A390 I392 I465 L467 L485 A574 I577 V595	G389-M404 CarbonylContact C-O 3.59Å; G389-M404 VanDerWaalsContact CA-O 3.24Å; G389-M404 WeakPolarHBondContact CA-O 3.48Å; A390-M404 PolarHBondContact N-O 2.85Å; A390-M404 PolarHBondContact O-N 3.18Å; I392-M404 HydrophobicContact CD1-CB 4.06Å; I392-M404 HydrophobicContact CG1-CB 4.3Å; I392-M404 HydrophobicContact CG2-CB 3.96Å; I392-M404 HydrophobicContact CG2-CE 4.26Å; M404-I465 HydrophobicContact CG-CD1 4.47Å; M404-I465 HydrophobicContact SD-CD1 4.23Å; M404-L467 HydrophobicContact CB-CD2 4.06Å; M404-L467 HydrophobicContact CG-CD2 4.21Å; M404-L485 HydrophobicContact CE-CD2 4.04Å; M404-L485 HydrophobicContact SD-CD2 4.11Å; M404-A574 HydrophobicContact CE-CB 4.06Å; M404-I577 HydrophobicContact CE-CD1 4.29Å; M404-I577 HydrophobicContact CE-CG1 4.13Å; M404-I577 HydrophobicContact CG-CD1 3.65Å; M404-I577 HydrophobicContact CG-CG1 4.36Å; M404-I577 HydrophobicContact SD-CD1 3.88Å; M404-I577 HydrophobicContact SD-CG1 4.37Å; M404-V595 HydrophobicContact CE-CG1 4.06Å; M404-V595 HydrophobicContact CE-CG2 3.75Å; M404-V595 HydrophobicContact SD-CG1 3.93Å; M404-V595 HydrophobicContact SD-CG2 4.1Å
405	T	97.1	Very high	87.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	179.9	177.9	-171	0	0	0	0	110.9	I373 G388 L410 A466 I468 G559	I373-T405 HydrophobicContact CD1-CG2 3.84Å; I373-T405 WeakPolarHBondContact CD1-OG1 3.1Å; G388-T405 PolarHBondContact O-OG1 3.07Å; T405-L410 HydrophobicContact CG2-CD1 4.2Å; T405-L410 HydrophobicContact CG2-CG 4.42Å; T405-A466 HydrophobicContact CG2-CB 4.28Å; T405-A466 PolarHBondContact N-O 2.8Å; T405-A466 PolarHBondContact O-N 2.91Å; T405-I468 HydrophobicContact CG2-CD1 3.87Å; T405-I468 HydrophobicContact CG2-CG1 4.24Å; T405-G559 WeakPolarHBondContact OG1-CA 3.48Å
406	A	95.2	Very high	87.5	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.			trans	-78.4	144.2	176.2	0	0	0	0	0	111.4	H408 C409 D464 I577	A406-H408 VanDerWaalsContact C-N 3.3Å; A406-H408 PolarHBondContact O-N 2.94Å; A406-C409 WeakPolarHBondContact O-CB 3.37Å; A406-C409 PolarHBondContact O-N 2.78Å; A406-D464 VanDerWaalsContact CA-O 3.31Å; A406-D464 WeakPolarHBondContact CA-O 3.41Å; A406-I577 HydrophobicContact CB-CG2 3.97Å
407	A	94.5	Very high	87.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-59.9	-40.5	177.5	0	0	0	0	0	112	C409 L410 H411 I449 Y453 D464	A407-C409 PolarHBondContact O-N 3.48Å; A407-L410 PolarHBondContact O-N 3.32Å; A407-H411 PolarHBondContact O-ND1 3.33Å; A407-I449 HydrophobicContact CB-CG2 3.81Å; A407-Y453 HydrophobicContact CB-CD1 4.22Å; A407-Y453 HydrophobicContact CB-CD2 3.46Å; A407-Y453 VanDerWaalsContact CB-CD2 3.46Å; A407-Y453 HydrophobicContact CB-CE2 3.81Å; A407-Y453 HydrophobicContact CB-CG 3.68Å; A407-D464 WeakPolarHBondContact CA-OD1 3.47Å; A407-D464 WeakPolarHBondContact CB-OD1 3.31Å; A407-D464 PolarHBondContact N-O 2.98Å; A407-D464 PolarHBondContact N-OD1 3.29Å
408	H	90.4	Very high	87.7	Confident	27 Å²	27	45.5 Å²	45.5	13%	0.125	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-64.5	-21.1	-178.4	78.2	-95.9	0	0	0	114.1	A406 L410 H411 Y453 D464 S558 S579	A406-H408 VanDerWaalsContact C-N 3.3Å; A406-H408 PolarHBondContact O-N 2.94Å; H408-L410 PolarHBondContact O-N 3.02Å; H408-H411 PolarHBondContact O-N 2.69Å; H408-Y453 VanDerWaalsContact CB-OH 3.27Å; H408-Y453 WeakPolarHBondContact CB-OH 3.39Å; H408-D464 IonicContact CE1-OD2 3.53Å; H408-D464 PolarHBondContact CE1-OD2 2.92Å; H408-D464 IonicContact CG-OD1 3.9Å; H408-D464 IonicContact CG-OD2 2.62Å; H408-D464 PolarHBondContact N-OD1 3.45Å; H408-D464 IonicContact ND1-OD1 2.72Å; H408-D464 PolarHBondContact ND1-OD1 2.85Å; H408-D464 IonicContact ND1-OD2 3.17Å; H408-D464 PolarHBondContact ND1-OD2 3.15Å; H408-S558 PolarHBondContact CE1-OG 3.14Å; H408-S558 WeakPolarHBondContact NE2-CB 3.09Å; H408-S558 PolarHBondContact NE2-OG 3.17Å; H408-S579 PolarHBondContact CE1-O 2.78Å; H408-S579 VanDerWaalsContact CE1-O 3.24Å
409	C	91.2	Very high	87.7	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.007	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-67.3	-22.1	173.8	-72.1	0	0	0	0	113.6	N375 C387 A406 A407 S558	N375-C409 PolarHBondContact ND2-O 3.11Å; C387-C409 HydrophobicContact CB-CB 3.63Å; C387-C409 WeakPolarHBondContact CB-SG 3.4Å; C387-C409 VanDerWaalsContact SG-CA 3.56Å; C387-C409 WeakPolarHBondContact SG-CB 3.47Å; C387-C409 CovalentContact SG-SG 2.03Å; C387-C409 PolarHBondContact SG-SG 2.95Å; A406-C409 WeakPolarHBondContact O-CB 3.37Å; A406-C409 PolarHBondContact O-N 2.78Å; A407-C409 PolarHBondContact O-N 3.48Å; C409-S558 PolarHBondContact SG-O 2.84Å; C409-S558 VanDerWaalsContact SG-O 3.35Å
410	L	91.4	Very high	87.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-103.4	9.2	-178.4	-57.2	179.3	0	0	0	112.7	T405 A407 H408 R418 F447 I449 A466 I468	T405-L410 HydrophobicContact CG2-CD1 4.2Å; T405-L410 HydrophobicContact CG2-CG 4.42Å; A407-L410 PolarHBondContact O-N 3.32Å; H408-L410 PolarHBondContact O-N 3.02Å; L410-R418 WeakPolarHBondContact O-CB 3.39Å; L410-R418 WeakPolarHBondContact O-CG 3.35Å; L410-R418 PolarHBondContact O-N 2.87Å; L410-F447 HydrophobicContact CB-CD2 4.22Å; L410-F447 HydrophobicContact CB-CE2 3.7Å; L410-F447 HydrophobicContact CB-CZ 3.96Å; L410-F447 HydrophobicContact CD1-CB 4.02Å; L410-F447 HydrophobicContact CD1-CD1 4.32Å; L410-F447 HydrophobicContact CD1-CD2 3.54Å; L410-F447 HydrophobicContact CD1-CE2 3.92Å; L410-F447 HydrophobicContact CD1-CG 3.76Å; L410-F447 HydrophobicContact CD1-CZ 4.46Å; L410-F447 HydrophobicContact CD2-CD1 4.39Å; L410-F447 HydrophobicContact CD2-CE1 4.24Å; L410-F447 HydrophobicContact CD2-CZ 4.35Å; L410-F447 HydrophobicContact CG-CD2 4.36Å; L410-F447 HydrophobicContact CG-CE2 4.28Å; L410-F447 HydrophobicContact CG-CZ 4.49Å; L410-I449 HydrophobicContact CB-CD1 3.93Å; L410-I449 HydrophobicContact CB-CG1 4.36Å; L410-I449 HydrophobicContact CD1-CG1 4.34Å; L410-A466 HydrophobicContact CD1-CB 3.6Å; L410-I468 HydrophobicContact CD1-CD1 4.35Å; L410-I468 HydrophobicContact CD1-CG1 3.98Å; L410-I468 HydrophobicContact CD2-CD1 4.08Å; L410-I468 HydrophobicContact CD2-CG1 4.48Å
411	H	86.6	Confident	87.1	Confident	21 Å²	21	51.1 Å²	51.1	10%	0.097	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-107	148.3	173.5	-68.3	91.4	0	0	0	112	A407 H408 N415 R416 R418 Y453	A407-H411 PolarHBondContact O-ND1 3.33Å; H408-H411 PolarHBondContact O-N 2.69Å; H411-N415 PolarHBondContact CD2-O 3.48Å; H411-R416 CarbonylContact C-O 3.55Å; H411-R416 VanDerWaalsContact CA-O 3.29Å; H411-R416 WeakPolarHBondContact CA-O 3.44Å; H411-R418 VanDerWaalsContact C-NE 3.3Å; H411-R418 VanDerWaalsContact O-CZ 3.3Å; H411-R418 PolarHBondContact O-NE 2.9Å; H411-R418 PolarHBondContact O-NH2 2.73Å; H411-Y453 AromaticContact CE1-CD1 3.25Å; H411-Y453 WeakPolarHBondContact CE1-CD1 3.49Å; H411-Y453 AromaticContact CE1-CE1 3.32Å; H411-Y453 WeakPolarHBondContact CE1-CE1 3.43Å; H411-Y453 AromaticContact ND1-CD1 4Å; H411-Y453 AromaticContact ND1-CE1 3.6Å; H411-Y453 AromaticContact NE2-CD1 3.77Å; H411-Y453 AromaticContact NE2-CE1 3.9Å
412	D	77.2	Confident	86.6	Confident	38 Å²	38	53.7 Å²	53.7	20%	0.203	26%	0.262	C	S	.	.			trans	-77.8	177.1	169.7	78	1.7	0	0	0	112.4	S414 N415 R416 R418	D412-S414 PolarHBondContact O-N 3.47Å; D412-S414 VanDerWaalsContact O-N 3.12Å; D412-S414 VanDerWaalsContact OD1-CA 3.25Å; D412-S414 WeakPolarHBondContact OD1-CA 3.27Å; D412-S414 WeakPolarHBondContact OD1-CB 3.46Å; D412-S414 PolarHBondContact OD1-N 2.75Å; D412-N415 PolarHBondContact O-N 3.16Å; D412-N415 PolarHBondContact OD1-N 2.97Å; D412-N415 VanDerWaalsContact OD1-N 3.1Å; D412-R416 PolarHBondContact N-O 2.95Å; D412-R416 WeakPolarHBondContact OD1-CB 3.25Å; D412-R416 PolarHBondContact OD1-N 3.42Å; D412-R416 IonicContact OD1-NE 3.77Å; D412-R416 IonicContact OD2-CZ 3.21Å; D412-R416 IonicContact OD2-NE 2.84Å; D412-R416 PolarHBondContact OD2-NE 2.99Å; D412-R416 IonicContact OD2-NH2 2.73Å; D412-R416 PolarHBondContact OD2-NH2 2.78Å; D412-R418 HydrophobicContact CB-CG 4.37Å
413	K	70.1	Confident	86.3	Confident	192 Å²	192	53.6 Å²	53.6	84%	0.835	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.7	178.3	-66.1	-176.9	179.8	177.8	0	113.4
414	S	71.7	Confident	85.9	Confident	85 Å²	85	55.6 Å²	55.6	59%	0.594	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	14	174.5	-55.2	0	0	0	0	112.3	D412 R416	D412-S414 PolarHBondContact O-N 3.47Å; D412-S414 VanDerWaalsContact O-N 3.12Å; D412-S414 VanDerWaalsContact OD1-CA 3.25Å; D412-S414 WeakPolarHBondContact OD1-CA 3.27Å; D412-S414 WeakPolarHBondContact OD1-CB 3.46Å; D412-S414 PolarHBondContact OD1-N 2.75Å; S414-R416 VanDerWaalsContact C-N 3.27Å; S414-R416 PolarHBondContact O-N 3.23Å
415	N	73.9	Confident	85.7	Confident	79 Å²	79	55.4 Å²	55.4	42%	0.422	27%	0.27	S	S	.	.	S	Bend	trans	57.1	31.7	-177.7	-155.9	49.4	0	0	0	114.5	H411 D412	H411-N415 PolarHBondContact CD2-O 3.48Å; D412-N415 PolarHBondContact O-N 3.16Å; D412-N415 PolarHBondContact OD1-N 2.97Å; D412-N415 VanDerWaalsContact OD1-N 3.1Å
416	R	80.9	Confident	85.5	Confident	159 Å²	159	55.5 Å²	55.5	60%	0.6	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-97.6	143.5	173.5	-56.4	176.8	-62.6	-171.3	0.8	110.6	H411 D412 S414 R418	H411-R416 CarbonylContact C-O 3.55Å; H411-R416 VanDerWaalsContact CA-O 3.29Å; H411-R416 WeakPolarHBondContact CA-O 3.44Å; D412-R416 PolarHBondContact N-O 2.95Å; D412-R416 WeakPolarHBondContact OD1-CB 3.25Å; D412-R416 PolarHBondContact OD1-N 3.42Å; D412-R416 IonicContact OD1-NE 3.77Å; D412-R416 IonicContact OD2-CZ 3.21Å; D412-R416 IonicContact OD2-NE 2.84Å; D412-R416 PolarHBondContact OD2-NE 2.99Å; D412-R416 IonicContact OD2-NH2 2.73Å; D412-R416 PolarHBondContact OD2-NH2 2.78Å; S414-R416 VanDerWaalsContact C-N 3.27Å; S414-R416 PolarHBondContact O-N 3.23Å; R416-R418 PolarHBondContact O-N 3.23Å
417	K	84.4	Confident	85.4	Confident	115 Å²	115	55.5 Å²	55.5	50%	0.5	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-55.6	125.3	174.2	-169.7	-179	-175	-177.9	0	109.9	F447 I449	K417-F447 HydrophobicContact CD-CE2 4.02Å; K417-F447 VanDerWaalsContact CE-CD2 3.44Å; K417-F447 HydrophobicContact CG-CE2 3.66Å; K417-F447 HydrophobicContact CG-CZ 4.1Å; K417-F447 PolarHBondContact NZ-O 2.91Å; K417-I449 HydrophobicContact CD-CD1 4.48Å; K417-I449 HydrophobicContact CG-CD1 4.02Å
418	R	84.4	Confident	85.1	Confident	44 Å²	44	55.7 Å²	55.7	17%	0.166	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-70	155.6	176.8	-68.4	-179.4	-174.7	-104.6	0	111.4	N375 N385 L410 H411 D412 R416 T420 F447	N375-R418 VanDerWaalsContact CG-CD 3.46Å; N375-R418 WeakPolarHBondContact OD1-CD 3.16Å; N385-R418 PolarHBondContact ND2-NH2 2.91Å; N385-R418 VanDerWaalsContact ND2-NH2 3.18Å; L410-R418 WeakPolarHBondContact O-CB 3.39Å; L410-R418 WeakPolarHBondContact O-CG 3.35Å; L410-R418 PolarHBondContact O-N 2.87Å; H411-R418 VanDerWaalsContact C-NE 3.3Å; H411-R418 VanDerWaalsContact O-CZ 3.3Å; H411-R418 PolarHBondContact O-NE 2.9Å; H411-R418 PolarHBondContact O-NH2 2.73Å; D412-R418 HydrophobicContact CB-CG 4.37Å; R416-R418 PolarHBondContact O-N 3.23Å; R418-T420 PolarHBondContact O-N 2.89Å; R418-F447 HydrophobicContact CB-CZ 4.49Å; R418-F447 VanDerWaalsContact O-CZ 3.24Å; R418-F447 WeakPolarHBondContact O-CZ 3.23Å
419	P	85.3	Confident	84.9	Confident	67 Å²	67	54.7 Å²	54.7	44%	0.435	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-65.7	130.5	169.7	-19.2	32.5	0	0	0	111.4	Q421 N422	P419-Q421 HydrophobicContact CB-CG 4.03Å; P419-Q421 PolarHBondContact O-N 3.03Å; P419-N422 PolarHBondContact O-N 2.83Å
420	T	85.9	Confident	84.4	Confident	40 Å²	40	55.2 Å²	55.2	25%	0.245	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-51.9	-42.5	178.7	-45.8	0	0	0	0	113.1	R418 N422 C423 A444 F447	R418-T420 PolarHBondContact O-N 2.89Å; T420-N422 PolarHBondContact O-N 3.44Å; T420-C423 WeakPolarHBondContact O-CB 3.42Å; T420-C423 PolarHBondContact O-N 3.33Å; T420-A444 HydrophobicContact CG2-CB 3.77Å; T420-F447 HydrophobicContact CG2-CD1 4.01Å; T420-F447 HydrophobicContact CG2-CE1 4.42Å
421	Q	83.6	Confident	83.4	Confident	166 Å²	166	57.6 Å²	57.6	78%	0.776	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-60.8	-13.7	180	49.1	-173.5	-25.2	0	0	115.2	P419	P419-Q421 HydrophobicContact CB-CG 4.03Å; P419-Q421 PolarHBondContact O-N 3.03Å
422	N	83.9	Confident	82.7	Confident	88 Å²	88	56.7 Å²	56.7	47%	0.471	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-95.2	-8.3	174.6	-63.5	7.6	0	0	0	113	P419 T420 K424	P419-N422 PolarHBondContact O-N 2.83Å; T420-N422 PolarHBondContact O-N 3.44Å; N422-K424 PolarHBondContact O-N 3.48Å
423	C	88.9	Confident	82.1	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.007	28%	0.283	C	S	.	.			trans	-89.1	106.8	-177	-177.8	0	0	0	0	110.4	T420 A444 F447	T420-C423 WeakPolarHBondContact O-CB 3.42Å; T420-C423 PolarHBondContact O-N 3.33Å; C423-A444 HydrophobicContact CB-CB 3.85Å; C423-A444 PolarHBondContact O-N 3.44Å; C423-F447 HydrophobicContact CB-CE1 4.33Å
424	K	90.4	Very high	81.6	Confident	41 Å²	41	51.5 Å²	51.5	18%	0.178	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135	176	-65.5	173.5	161.1	-147.7	0	109.8	I373 S374 D377 N422 F426 E441	I373-K424 CarbonylContact C-O 3.54Å; I373-K424 WeakPolarHBondContact CA-O 3Å; S374-K424 PolarHBondContact N-O 2.68Å; S374-K424 PolarHBondContact O-N 3.32Å; D377-K424 IonicContact OD1-NZ 2.76Å; D377-K424 PolarHBondContact OD1-NZ 2.95Å; N422-K424 PolarHBondContact O-N 3.48Å; K424-F426 HydrophobicContact CB-CE2 3.76Å; K424-F426 HydrophobicContact CB-CZ 3.99Å; K424-F426 HydrophobicContact CD-CZ 4.35Å; K424-E441 HydrophobicContact CB-CG 4.2Å; K424-E441 HydrophobicContact CD-CG 4.38Å; K424-E441 WeakPolarHBondContact CD-OE1 3.42Å; K424-E441 WeakPolarHBondContact CD-OE2 3.28Å; K424-E441 WeakPolarHBondContact CE-OE1 3.49Å; K424-E441 WeakPolarHBondContact CE-OE2 3.45Å; K424-E441 HydrophobicContact CG-CG 4.3Å; K424-E441 VanDerWaalsContact NZ-CD 3.28Å; K424-E441 IonicContact NZ-OE1 2.66Å; K424-E441 PolarHBondContact NZ-OE1 2.68Å; K424-E441 IonicContact NZ-OE2 3.73Å; K424-E441 PolarHBondContact NZ-OE2 2.82Å
425	V	93.7	Very high	81.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.7	178.7	-175.5	0	0	0	0	109.1	V371 L372 I373 V403 V427 V442 I468 L470	V371-V425 HydrophobicContact CB-CG1 3.83Å; V371-V425 HydrophobicContact CG1-CG1 4.28Å; V371-V425 HydrophobicContact CG2-CG1 3.82Å; L372-V425 CarbonylContact O-C 3.54Å; L372-V425 WeakPolarHBondContact O-CA 3.24Å; I373-V425 HydrophobicContact CG1-CG2 4.46Å; V403-V425 HydrophobicContact CG2-CG1 4.28Å; V425-V427 HydrophobicContact CG1-CG1 4.26Å; V425-V442 PolarHBondContact N-O 2.81Å; V425-V442 PolarHBondContact O-N 3.34Å; V425-I468 HydrophobicContact CG2-CD1 4.48Å; V425-I468 HydrophobicContact CG2-CG2 4.5Å; V425-L470 HydrophobicContact CB-CD2 3.88Å; V425-L470 HydrophobicContact CG1-CD2 4.15Å; V425-L470 HydrophobicContact CG2-CD2 3.79Å
426	F	92.7	Very high	80.9	Confident	1 Å²	1	51.2 Å²	51.2	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121	-178.5	-58.3	-92.8	0	0	0	109.4	V371 L372 L378 K424 I429 A437 E441	V371-F426 WeakPolarHBondContact CA-O 3.48Å; V371-F426 WeakPolarHBondContact CB-O 3.25Å; L372-F426 HydrophobicContact CB-CB 4.24Å; L372-F426 HydrophobicContact CB-CD2 4.41Å; L372-F426 HydrophobicContact CD2-CD2 4.31Å; L372-F426 HydrophobicContact CG-CD2 4.48Å; L372-F426 PolarHBondContact N-O 3.33Å; L372-F426 PolarHBondContact O-N 2.87Å; L378-F426 HydrophobicContact CD1-CD1 4.29Å; L378-F426 HydrophobicContact CD1-CE1 3.43Å; L378-F426 VanDerWaalsContact CD1-CE1 3.43Å; L378-F426 HydrophobicContact CD1-CE2 4Å; L378-F426 HydrophobicContact CD1-CZ 3.27Å; L378-F426 HydrophobicContact CD2-CE2 4.49Å; L378-F426 HydrophobicContact CD2-CZ 4.46Å; L378-F426 HydrophobicContact CG-CE1 4.43Å; L378-F426 HydrophobicContact CG-CE2 4.3Å; L378-F426 HydrophobicContact CG-CZ 3.81Å; K424-F426 HydrophobicContact CB-CE2 3.76Å; K424-F426 HydrophobicContact CB-CZ 3.99Å; K424-F426 HydrophobicContact CD-CZ 4.35Å; F426-I429 HydrophobicContact CB-CD1 3.75Å; F426-I429 HydrophobicContact CB-CG1 4.16Å; F426-I429 HydrophobicContact CB-CG2 4.21Å; F426-A437 VanDerWaalsContact CD1-O 3.32Å; F426-A437 WeakPolarHBondContact CD1-O 3.14Å; F426-E441 HydrophobicContact CD1-CB 4Å; F426-E441 HydrophobicContact CD1-CG 4.32Å; F426-E441 HydrophobicContact CE1-CB 3.54Å; F426-E441 HydrophobicContact CE1-CG 3.61Å; F426-E441 HydrophobicContact CZ-CB 4.22Å; F426-E441 HydrophobicContact CZ-CG 3.75Å; F426-E441 WeakPolarHBondContact CZ-OE2 3.2Å
427	V	93.1	Very high	80.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.			trans	-111.1	142.3	-169.6	-59.2	0	0	0	0	111.9	V371 L391 V425 I429 K440 V442 I474 T480 L621	V371-V427 HydrophobicContact CG1-CB 4.46Å; V371-V427 HydrophobicContact CG1-CG1 3.89Å; L391-V427 HydrophobicContact CD2-CG1 4.3Å; V425-V427 HydrophobicContact CG1-CG1 4.26Å; V427-I429 PolarHBondContact O-N 3.2Å; V427-I429 VanDerWaalsContact O-N 3.11Å; V427-K440 PolarHBondContact N-O 2.92Å; V427-K440 WeakPolarHBondContact O-CB 3.07Å; V427-K440 WeakPolarHBondContact O-CD 3.37Å; V427-V442 HydrophobicContact CG1-CG2 4.25Å; V427-V442 HydrophobicContact CG2-CG2 4.04Å; V427-I474 HydrophobicContact CG1-CG1 4.35Å; V427-I474 HydrophobicContact CG2-CD1 4.34Å; V427-I474 HydrophobicContact CG2-CG2 4.2Å; V427-T480 HydrophobicContact CB-CG2 4.29Å; V427-T480 HydrophobicContact CG2-CG2 4.41Å; V427-L621 HydrophobicContact CG2-CD2 3.81Å
428	G	88.1	Confident	80	Confident	4 Å²	4	42.6 Å²	42.6	4%	0.041	22%	0.218	C	C	.	.	S	Bend	trans	60.9	20.9	177.2	0	0	0	0	0	115.1	H365 I479	H365-G428 PolarHBondContact CE1-O 3.34Å; H365-G428 PolarHBondContact ND1-O 2.99Å; H365-G428 VanDerWaalsContact ND1-O 3.17Å; G428-I479 VanDerWaalsContact CA-O 3.27Å; G428-I479 WeakPolarHBondContact CA-O 2.9Å
429	I	86.4	Confident	79.7	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.031	23%	0.227	C	C	.	.			trans	-87.2	151.7	178.3	62.9	156.4	0	0	0	111.3	L372 F426 V427 Q432 A437 K440 W503	L372-I429 HydrophobicContact CB-CD1 3.9Å; L372-I429 HydrophobicContact CD2-CD1 4.17Å; F426-I429 HydrophobicContact CB-CD1 3.75Å; F426-I429 HydrophobicContact CB-CG1 4.16Å; F426-I429 HydrophobicContact CB-CG2 4.21Å; V427-I429 PolarHBondContact O-N 3.2Å; V427-I429 VanDerWaalsContact O-N 3.11Å; I429-Q432 HydrophobicContact CD1-CB 4.26Å; I429-A437 HydrophobicContact CB-CB 4.46Å; I429-A437 HydrophobicContact CD1-CB 4.49Å; I429-A437 HydrophobicContact CG2-CB 3.87Å; I429-K440 HydrophobicContact CG2-CB 4.04Å; I429-K440 HydrophobicContact CG2-CD 4.05Å; I429-W503 HydrophobicContact CD1-CH2 4.26Å; I429-W503 HydrophobicContact CD1-CZ2 3.91Å; I429-W503 HydrophobicContact CG1-CH2 4.02Å; I429-W503 HydrophobicContact CG1-CZ2 3.76Å
430	H	79.4	Confident	79.8	Confident	12 Å²	12	39.3 Å²	39.3	6%	0.056	21%	0.206	C	C	.	.	S	Bend	trans	-113.3	-42.8	167.4	-172.5	70.4	0	0	0	111.6	E361 A362 K364 W503 E516 L517	E361-H430 IonicContact OE1-CD2 3.02Å; E361-H430 IonicContact OE1-CE1 2.73Å; E361-H430 IonicContact OE1-NE2 3.67Å; E361-H430 PolarHBondContact OE1-NE2 3.32Å; A362-H430 PolarHBondContact O-CE1 3.04Å; K364-H430 HydrophobicContact CG-CB 3.91Å; H430-W503 PolarHBondContact O-NE1 2.83Å; H430-E516 CarbonylContact O-C 3.53Å; H430-E516 WeakPolarHBondContact O-CA 3.5Å; H430-L517 PolarHBondContact O-N 2.83Å
431	H	70.8	Confident	80.1	Confident	51 Å²	51	39.5 Å²	39.5	24%	0.236	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-114.9	115.9	-179.9	-178.1	-64.2	0	0	0	111.2	F433 T434 S515 E516	H431-F433 PolarHBondContact ND1-N 2.86Å; H431-F433 PolarHBondContact O-N 2.94Å; H431-T434 HydrophobicContact CB-CG2 4.1Å; H431-T434 WeakPolarHBondContact ND1-CG2 3.45Å; H431-T434 PolarHBondContact O-OG1 2.94Å; H431-S515 CarbonylContact C-O 3.57Å; H431-S515 WeakPolarHBondContact CA-O 3.46Å; H431-S515 WeakPolarHBondContact NE2-CB 3.34Å; H431-E516 IonicContact CD2-OE1 2.77Å
432	Q	71.4	Confident	80.5	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.009	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-23.7	-168.1	56.4	162.7	-35.9	0	0	115.6	L372 L386 I429 T434 A437 Q514 S515	L372-Q432 HydrophobicContact CD2-CB 3.69Å; L386-Q432 VanDerWaalsContact CD1-OE1 3.3Å; I429-Q432 HydrophobicContact CD1-CB 4.26Å; Q432-T434 PolarHBondContact O-N 3.48Å; Q432-A437 WeakPolarHBondContact O-CB 3.39Å; Q432-Q514 PolarHBondContact NE2-O 2.76Å; Q432-S515 WeakPolarHBondContact CG-O 3.43Å; Q432-S515 PolarHBondContact N-O 3.02Å
433	F	64.3	Low	80.9	Confident	75 Å²	75	32.4 Å²	32.4	33%	0.329	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	41.3	-178.6	-43	-53.7	0	0	0	113.7	P381 H431	P381-F433 HydrophobicContact CB-CD1 4.43Å; P381-F433 HydrophobicContact CB-CE1 3.48Å; P381-F433 VanDerWaalsContact CB-CE1 3.48Å; P381-F433 HydrophobicContact CB-CZ 3.95Å; P381-F433 HydrophobicContact CG-CD1 4.29Å; P381-F433 HydrophobicContact CG-CE1 3.65Å; P381-F433 HydrophobicContact CG-CZ 4.03Å; H431-F433 PolarHBondContact ND1-N 2.86Å; H431-F433 PolarHBondContact O-N 2.94Å
434	T	61.5	Low	81.1	Confident	45 Å²	45	32.8 Å²	32.8	28%	0.276	17%	0.17	S	C	.	.	S	Bend	trans	-116.2	158	177.3	54.4	0	0	0	0	112.4	H431 Q432 D436 A437 I438	H431-T434 HydrophobicContact CB-CG2 4.1Å; H431-T434 WeakPolarHBondContact ND1-CG2 3.45Å; H431-T434 PolarHBondContact O-OG1 2.94Å; Q432-T434 PolarHBondContact O-N 3.48Å; T434-D436 PolarHBondContact O-N 3.28Å; T434-A437 WeakPolarHBondContact O-CB 3.32Å; T434-A437 PolarHBondContact O-N 3.29Å; T434-A437 VanDerWaalsContact O-N 3.08Å; T434-A437 PolarHBondContact OG1-N 2.93Å; T434-A437 VanDerWaalsContact OG1-N 3.09Å; T434-I438 PolarHBondContact O-N 3.06Å; T434-I438 VanDerWaalsContact O-N 3.16Å
435	D	62.3	Low	81.3	Confident	136 Å²	136	34.5 Å²	34.5	73%	0.727	18%	0.177	S	C	*	.	H	α-helix	trans	-61.2	-27.9	167.2	-69.4	-21.5	0	0	0	111.8	I438 A439	D435-I438 PolarHBondContact O-N 3.31Å; D435-A439 WeakPolarHBondContact O-CB 3.19Å; D435-A439 PolarHBondContact O-N 2.72Å
436	D	67.8	Low	81.3	Confident	23 Å²	23	38.5 Å²	38.5	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-41	170.6	-178.5	73.6	0	0	0	112.1	T434 A439 K440 Y624	T434-D436 PolarHBondContact O-N 3.28Å; D436-A439 PolarHBondContact O-N 3.42Å; D436-K440 WeakPolarHBondContact O-CD 3.44Å; D436-K440 WeakPolarHBondContact O-CG 3.23Å; D436-K440 PolarHBondContact O-N 2.89Å; D436-K440 VanDerWaalsContact OD1-CE 3.22Å; D436-K440 WeakPolarHBondContact OD1-CE 3.46Å; D436-K440 IonicContact OD1-NZ 3.89Å; D436-K440 PolarHBondContact OD1-NZ 2.82Å; D436-K440 IonicContact OD2-NZ 3.12Å; D436-K440 PolarHBondContact OD2-NZ 3.02Å; D436-Y624 HydrophobicContact CB-CD2 4Å; D436-Y624 HydrophobicContact CB-CG 4.43Å
437	A	71.4	Confident	81.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-46.9	173.6	0	0	0	0	0	111.3	F426 I429 Q432 T434 A439 K440 E441	F426-A437 VanDerWaalsContact CD1-O 3.32Å; F426-A437 WeakPolarHBondContact CD1-O 3.14Å; I429-A437 HydrophobicContact CB-CB 4.46Å; I429-A437 HydrophobicContact CD1-CB 4.49Å; I429-A437 HydrophobicContact CG2-CB 3.87Å; Q432-A437 WeakPolarHBondContact O-CB 3.39Å; T434-A437 WeakPolarHBondContact O-CB 3.32Å; T434-A437 PolarHBondContact O-N 3.29Å; T434-A437 VanDerWaalsContact O-N 3.08Å; T434-A437 PolarHBondContact OG1-N 2.93Å; T434-A437 VanDerWaalsContact OG1-N 3.09Å; A437-A439 VanDerWaalsContact C-N 3.28Å; A437-A439 PolarHBondContact O-N 2.8Å; A437-K440 CarbonylContact O-C 3.49Å; A437-K440 WeakPolarHBondContact O-CA 3.39Å; A437-K440 PolarHBondContact O-N 2.81Å; A437-E441 PolarHBondContact O-N 2.93Å
438	I	74.6	Confident	81.4	Confident	93 Å²	93	40.1 Å²	40.1	48%	0.477	21%	0.206	S	C	.	.	H	α-helix	trans	-59.8	-39.1	177.7	-62.9	167.7	0	0	0	111.3	T434 D435 K440 E441	T434-I438 PolarHBondContact O-N 3.06Å; T434-I438 VanDerWaalsContact O-N 3.16Å; D435-I438 PolarHBondContact O-N 3.31Å; I438-K440 PolarHBondContact O-N 3.5Å; I438-E441 WeakPolarHBondContact O-CB 3.11Å; I438-E441 PolarHBondContact O-N 2.77Å
439	A	77.9	Confident	81.7	Confident	41 Å²	41	41.2 Å²	41.2	34%	0.339	21%	0.21	S	C	.	.	H	α-helix	trans	-64.2	-24.4	175.7	0	0	0	0	0	113.4	D435 D436 A437 R620	D435-A439 WeakPolarHBondContact O-CB 3.19Å; D435-A439 PolarHBondContact O-N 2.72Å; D436-A439 PolarHBondContact O-N 3.42Å; A437-A439 VanDerWaalsContact C-N 3.28Å; A437-A439 PolarHBondContact O-N 2.8Å; A439-R620 WeakPolarHBondContact O-CD 3.36Å
440	K	88.2	Confident	82.1	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	18	179.9	-64.6	167	-177.4	168.6	0	113.2	V427 I429 D436 A437 I438 R620 L621 V622	V427-K440 PolarHBondContact N-O 2.92Å; V427-K440 WeakPolarHBondContact O-CB 3.07Å; V427-K440 WeakPolarHBondContact O-CD 3.37Å; I429-K440 HydrophobicContact CG2-CB 4.04Å; I429-K440 HydrophobicContact CG2-CD 4.05Å; D436-K440 WeakPolarHBondContact O-CD 3.44Å; D436-K440 WeakPolarHBondContact O-CG 3.23Å; D436-K440 PolarHBondContact O-N 2.89Å; D436-K440 VanDerWaalsContact OD1-CE 3.22Å; D436-K440 WeakPolarHBondContact OD1-CE 3.46Å; D436-K440 IonicContact OD1-NZ 3.89Å; D436-K440 PolarHBondContact OD1-NZ 2.82Å; D436-K440 IonicContact OD2-NZ 3.12Å; D436-K440 PolarHBondContact OD2-NZ 3.02Å; A437-K440 CarbonylContact O-C 3.49Å; A437-K440 WeakPolarHBondContact O-CA 3.39Å; A437-K440 PolarHBondContact O-N 2.81Å; I438-K440 PolarHBondContact O-N 3.5Å; K440-R620 WeakPolarHBondContact CE-O 3.32Å; K440-R620 WeakPolarHBondContact CG-O 3.41Å; K440-L621 HydrophobicContact CG-CD2 4.43Å; K440-V622 WeakPolarHBondContact CE-O 3.23Å; K440-V622 PolarHBondContact NZ-O 3.16Å
441	E	91.1	Very high	82.6	Confident	44 Å²	44	46.8 Å²	46.8	21%	0.206	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	131.2	170.5	-169.6	-179.8	119.3	0	0	111.1	K424 F426 A437 I438	K424-E441 HydrophobicContact CB-CG 4.2Å; K424-E441 HydrophobicContact CD-CG 4.38Å; K424-E441 WeakPolarHBondContact CD-OE1 3.42Å; K424-E441 WeakPolarHBondContact CD-OE2 3.28Å; K424-E441 WeakPolarHBondContact CE-OE1 3.49Å; K424-E441 WeakPolarHBondContact CE-OE2 3.45Å; K424-E441 HydrophobicContact CG-CG 4.3Å; K424-E441 VanDerWaalsContact NZ-CD 3.28Å; K424-E441 IonicContact NZ-OE1 2.66Å; K424-E441 PolarHBondContact NZ-OE1 2.68Å; K424-E441 IonicContact NZ-OE2 3.73Å; K424-E441 PolarHBondContact NZ-OE2 2.82Å; F426-E441 HydrophobicContact CD1-CB 4Å; F426-E441 HydrophobicContact CD1-CG 4.32Å; F426-E441 HydrophobicContact CE1-CB 3.54Å; F426-E441 HydrophobicContact CE1-CG 3.61Å; F426-E441 HydrophobicContact CZ-CB 4.22Å; F426-E441 HydrophobicContact CZ-CG 3.75Å; F426-E441 WeakPolarHBondContact CZ-OE2 3.2Å; A437-E441 PolarHBondContact O-N 2.93Å; I438-E441 WeakPolarHBondContact O-CB 3.11Å; I438-E441 PolarHBondContact O-N 2.77Å
442	V	92.6	Very high	83.6	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132	175.1	-165.3	0	0	0	0	107.8	V425 V427 L470 H472 I474 F616	V425-V442 PolarHBondContact N-O 2.81Å; V425-V442 PolarHBondContact O-N 3.34Å; V427-V442 HydrophobicContact CG1-CG2 4.25Å; V427-V442 HydrophobicContact CG2-CG2 4.04Å; V442-L470 HydrophobicContact CG1-CB 4.03Å; V442-L470 HydrophobicContact CG1-CD1 4.45Å; V442-L470 HydrophobicContact CG1-CD2 4.28Å; V442-L470 HydrophobicContact CG1-CG 4.48Å; V442-H472 HydrophobicContact CG1-CB 4.31Å; V442-I474 HydrophobicContact CG1-CD1 4.16Å; V442-I474 HydrophobicContact CG2-CD1 3.72Å; V442-F616 HydrophobicContact CG2-CD2 3.88Å; V442-F616 HydrophobicContact CG2-CE2 3.71Å; V442-F616 HydrophobicContact CG2-CZ 4.3Å
443	K	92.6	Very high	84.4	Confident	104 Å²	104	51.3 Å²	51.3	45%	0.452	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	153.9	176.8	-62.3	177.6	-173.1	167.3	0	111.2	E471	K443-E471 HydrophobicContact CB-CB 4.38Å; K443-E471 WeakPolarHBondContact O-CB 3.4Å; K443-E471 PolarHBondContact O-N 2.62Å
444	A	93.3	Very high	85.4	Confident	8 Å²	8	53.9 Å²	53.9	7%	0.066	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131.5	163	0	0	0	0	0	110.5	T420 C423 I468	T420-A444 HydrophobicContact CG2-CB 3.77Å; C423-A444 HydrophobicContact CB-CB 3.85Å; C423-A444 PolarHBondContact O-N 3.44Å; A444-I468 HydrophobicContact CB-CG2 3.54Å
445	K	93.7	Very high	86.3	Confident	77 Å²	77	54 Å²	54	34%	0.335	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-45.8	168.2	-173.7	168	-174.3	168.1	0	111.4	K469 P610 A611 T613	K445-K469 PolarHBondContact N-O 2.89Å; K445-P610 HydrophobicContact CD-CG 4.44Å; K445-A611 WeakPolarHBondContact CE-O 3.36Å; K445-A611 PolarHBondContact NZ-O 3.08Å; K445-T613 HydrophobicContact CD-CG2 4.26Å
446	E	94.1	Very high	86.7	Confident	85 Å²	85	51.1 Å²	51.1	40%	0.397	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	156.7	176.1	-172	166.5	175.7	0	0	109.5	K469 L609 P610	E446-K469 PolarHBondContact N-O 3.12Å; E446-K469 PolarHBondContact O-N 3.06Å; E446-L609 HydrophobicContact CB-CD2 4.17Å; E446-L609 HydrophobicContact CG-CD2 3.96Å; E446-P610 HydrophobicContact CB-CG 4.11Å; E446-P610 WeakPolarHBondContact OE2-CD 3.46Å; E446-P610 VanDerWaalsContact OE2-CG 3.29Å; E446-P610 WeakPolarHBondContact OE2-CG 3.19Å
447	F	94	Very high	86.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.1	166.8	64.3	-112	0	0	0	112.9	L410 K417 R418 T420 C423 I449 L467 I468	L410-F447 HydrophobicContact CB-CD2 4.22Å; L410-F447 HydrophobicContact CB-CE2 3.7Å; L410-F447 HydrophobicContact CB-CZ 3.96Å; L410-F447 HydrophobicContact CD1-CB 4.02Å; L410-F447 HydrophobicContact CD1-CD1 4.32Å; L410-F447 HydrophobicContact CD1-CD2 3.54Å; L410-F447 HydrophobicContact CD1-CE2 3.92Å; L410-F447 HydrophobicContact CD1-CG 3.76Å; L410-F447 HydrophobicContact CD1-CZ 4.46Å; L410-F447 HydrophobicContact CD2-CD1 4.39Å; L410-F447 HydrophobicContact CD2-CE1 4.24Å; L410-F447 HydrophobicContact CD2-CZ 4.35Å; L410-F447 HydrophobicContact CG-CD2 4.36Å; L410-F447 HydrophobicContact CG-CE2 4.28Å; L410-F447 HydrophobicContact CG-CZ 4.49Å; K417-F447 HydrophobicContact CD-CE2 4.02Å; K417-F447 VanDerWaalsContact CE-CD2 3.44Å; K417-F447 HydrophobicContact CG-CE2 3.66Å; K417-F447 HydrophobicContact CG-CZ 4.1Å; K417-F447 PolarHBondContact NZ-O 2.91Å; R418-F447 HydrophobicContact CB-CZ 4.49Å; R418-F447 VanDerWaalsContact O-CZ 3.24Å; R418-F447 WeakPolarHBondContact O-CZ 3.23Å; T420-F447 HydrophobicContact CG2-CD1 4.01Å; T420-F447 HydrophobicContact CG2-CE1 4.42Å; C423-F447 HydrophobicContact CB-CE1 4.33Å; F447-I449 HydrophobicContact CD2-CD1 4.28Å; F447-I449 HydrophobicContact CD2-CG1 4.21Å; F447-I449 HydrophobicContact CE2-CD1 3.88Å; F447-I449 HydrophobicContact CE2-CG1 4.32Å; F447-L467 CarbonylContact C-O 3.58Å; F447-L467 VanDerWaalsContact CA-O 3.24Å; F447-L467 WeakPolarHBondContact CA-O 3.28Å; F447-L467 VanDerWaalsContact CB-O 3.32Å; F447-L467 WeakPolarHBondContact CB-O 3.27Å; F447-I468 HydrophobicContact CB-CB 4.29Å; F447-I468 HydrophobicContact CB-CG1 3.92Å; F447-I468 HydrophobicContact CB-CG2 4.46Å
448	V	94.3	Very high	85.8	Confident	34 Å²	34	59 Å²	59	21%	0.206	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.1	178.5	62.7	0	0	0	0	109.4	A466 L467 W601 K605 L609	V448-A466 CarbonylContact O-C 3.57Å; V448-A466 VanDerWaalsContact O-CA 3.28Å; V448-A466 WeakPolarHBondContact O-CA 3.46Å; V448-A466 WeakPolarHBondContact O-CB 3.49Å; V448-L467 HydrophobicContact CG1-CB 3.86Å; V448-L467 PolarHBondContact N-O 2.81Å; V448-L467 PolarHBondContact O-N 2.95Å; V448-W601 HydrophobicContact CG1-CH2 4.33Å; V448-W601 HydrophobicContact CG2-CZ2 4.29Å; V448-K605 HydrophobicContact CG1-CB 4.02Å; V448-K605 HydrophobicContact CG2-CG 4.47Å; V448-L609 HydrophobicContact CB-CD2 4.32Å; V448-L609 HydrophobicContact CG1-CD1 3.91Å; V448-L609 HydrophobicContact CG1-CD2 4.19Å; V448-L609 HydrophobicContact CG1-CG 4.28Å
449	I	93.9	Very high	85.4	Confident	27 Å²	27	56.4 Å²	56.4	14%	0.138	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146.8	177.6	-68.1	168.8	0	0	0	106.7	A407 L410 K417 F447 S451 Y453 A466	A407-I449 HydrophobicContact CB-CG2 3.81Å; L410-I449 HydrophobicContact CB-CD1 3.93Å; L410-I449 HydrophobicContact CB-CG1 4.36Å; L410-I449 HydrophobicContact CD1-CG1 4.34Å; K417-I449 HydrophobicContact CD-CD1 4.48Å; K417-I449 HydrophobicContact CG-CD1 4.02Å; F447-I449 HydrophobicContact CD2-CD1 4.28Å; F447-I449 HydrophobicContact CD2-CG1 4.21Å; F447-I449 HydrophobicContact CE2-CD1 3.88Å; F447-I449 HydrophobicContact CE2-CG1 4.32Å; I449-S451 PolarHBondContact O-N 2.79Å; I449-Y453 HydrophobicContact CG2-CG 4.49Å; I449-A466 HydrophobicContact CG1-CB 4.03Å
450	H	94.2	Very high	85.2	Confident	22 Å²	22	54.6 Å²	54.6	10%	0.102	31%	0.308	C	S	.	.			trans	-56.8	126.1	173.9	-162.7	-85.3	0	0	0	110.8	E452 Y453 N463 I465 Y598 W601	H450-E452 PolarHBondContact ND1-N 3.39Å; H450-E452 PolarHBondContact O-N 3.5Å; H450-E452 VanDerWaalsContact O-N 3.11Å; H450-Y453 VanDerWaalsContact O-CB 3.28Å; H450-Y453 WeakPolarHBondContact O-CB 3.38Å; H450-Y453 PolarHBondContact O-N 3.21Å; H450-N463 HydrophobicContact CB-CB 4.09Å; H450-N463 WeakPolarHBondContact CB-O 3.37Å; H450-N463 VanDerWaalsContact ND1-CB 3.35Å; H450-N463 WeakPolarHBondContact ND1-CB 3.28Å; H450-I465 HydrophobicContact CB-CG2 3.92Å; H450-I465 PolarHBondContact N-O 3.35Å; H450-I465 VanDerWaalsContact N-O 3.1Å; H450-Y598 AromaticContact CD2-CD1 3.91Å; H450-Y598 AromaticContact NE2-CD1 3.98Å; H450-Y598 AromaticContact NE2-CE1 3.94Å; H450-W601 HydrophobicContact CB-CZ2 4.1Å; H450-W601 AromaticContact CD2-CD1 3.49Å; H450-W601 VanDerWaalsContact CD2-CD1 3.49Å; H450-W601 AromaticContact CD2-CD2 3.77Å; H450-W601 AromaticContact CD2-CE2 3.59Å; H450-W601 AromaticContact CD2-CG 3.77Å; H450-W601 AromaticContact CD2-NE1 3.36Å; H450-W601 PolarHBondContact CD2-NE1 3.07Å; H450-W601 AromaticContact NE2-CD1 3.71Å; H450-W601 AromaticContact NE2-NE1 3.96Å
451	S	90.9	Very high	84.9	Confident	113 Å²	113	57.7 Å²	57.7	79%	0.79	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.4	-172.5	45.5	0	0	0	0	113.7	I449	I449-S451 PolarHBondContact O-N 2.79Å
452	E	90.6	Very high	84.8	Confident	123 Å²	123	59.1 Å²	59.1	58%	0.575	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	18.9	177.1	-54.8	-171.5	160	0	0	113.6	H450 K454 N463	H450-E452 PolarHBondContact ND1-N 3.39Å; H450-E452 PolarHBondContact O-N 3.5Å; H450-E452 VanDerWaalsContact O-N 3.11Å; E452-K454 PolarHBondContact O-N 2.74Å; E452-N463 WeakPolarHBondContact CB-ND2 3.37Å; E452-N463 PolarHBondContact O-ND2 3.03Å
453	Y	90.1	Very high	84.8	Confident	26 Å²	26	59.8 Å²	59.8	10%	0.102	33%	0.327	C	S	.	.			trans	-58.3	128	173.7	171.3	-108.7	0	0	0	111.1	A407 H408 H411 I449 H450 R461 R462 D464	A407-Y453 HydrophobicContact CB-CD1 4.22Å; A407-Y453 HydrophobicContact CB-CD2 3.46Å; A407-Y453 VanDerWaalsContact CB-CD2 3.46Å; A407-Y453 HydrophobicContact CB-CE2 3.81Å; A407-Y453 HydrophobicContact CB-CG 3.68Å; H408-Y453 VanDerWaalsContact CB-OH 3.27Å; H408-Y453 WeakPolarHBondContact CB-OH 3.39Å; H411-Y453 AromaticContact CE1-CD1 3.25Å; H411-Y453 WeakPolarHBondContact CE1-CD1 3.49Å; H411-Y453 AromaticContact CE1-CE1 3.32Å; H411-Y453 WeakPolarHBondContact CE1-CE1 3.43Å; H411-Y453 AromaticContact ND1-CD1 4Å; H411-Y453 AromaticContact ND1-CE1 3.6Å; H411-Y453 AromaticContact NE2-CD1 3.77Å; H411-Y453 AromaticContact NE2-CE1 3.9Å; I449-Y453 HydrophobicContact CG2-CG 4.49Å; H450-Y453 VanDerWaalsContact O-CB 3.28Å; H450-Y453 WeakPolarHBondContact O-CB 3.38Å; H450-Y453 PolarHBondContact O-N 3.21Å; Y453-R461 HydrophobicContact CE2-CB 4.39Å; Y453-R462 WeakPolarHBondContact CA-O 3.36Å; Y453-R462 WeakPolarHBondContact CD2-O 3.4Å; Y453-D464 HydrophobicContact CD2-CB 4.29Å; Y453-D464 HydrophobicContact CE2-CB 4.04Å; Y453-D464 WeakPolarHBondContact CE2-OD1 3.28Å
454	K	84.7	Confident	84.8	Confident	128 Å²	128	54.8 Å²	54.8	56%	0.557	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.8	175.7	-63.5	177.1	-177.3	175.8	0	110.4	E452 R461 R462	E452-K454 PolarHBondContact O-N 2.74Å; K454-R461 WeakPolarHBondContact O-CA 3.13Å; K454-R462 HydrophobicContact CB-CB 4.27Å; K454-R462 PolarHBondContact N-O 2.72Å; K454-R462 VanDerWaalsContact N-O 3.13Å; K454-R462 PolarHBondContact O-N 2.74Å
455	A	79.9	Confident	84.9	Confident	48 Å²	48	54.4 Å²	54.4	40%	0.397	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	113.4	165.3	0	0	0	0	0	108.2
456	E	70	Confident	85.1	Confident	76 Å²	76	50.8 Å²	50.8	36%	0.355	29%	0.286	S	S	.	.			trans	-77.4	145.7	178.2	-61.5	-64.6	162.7	0	0	110.1	N458 G459 G460	E456-N458 WeakPolarHBondContact CB-OD1 3.29Å; E456-N458 PolarHBondContact O-N 3.45Å; E456-G459 PolarHBondContact O-N 2.9Å; E456-G460 WeakPolarHBondContact CB-O 3.39Å; E456-G460 PolarHBondContact N-O 3.33Å
457	A	61.5	Low	85.2	Confident	116 Å²	116	46.7 Å²	46.7	96%	0.959	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-14.2	-175.9	0	0	0	0	0	114.6
458	N	59.9	Low	85.3	Confident	71 Å²	71	46.7 Å²	46.7	38%	0.38	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	3.5	178.1	54.8	45.8	0	0	0	113.9	E456 G460 F536	E456-N458 WeakPolarHBondContact CB-OD1 3.29Å; E456-N458 PolarHBondContact O-N 3.45Å; N458-G460 PolarHBondContact OD1-N 3.14Å; N458-F536 HydrophobicContact CB-CD2 4.14Å; N458-F536 HydrophobicContact CB-CE2 3.83Å; N458-F536 HydrophobicContact CB-CZ 4.22Å; N458-F536 VanDerWaalsContact CG-CD2 3.46Å; N458-F536 WeakPolarHBondContact ND2-CD1 3.32Å; N458-F536 WeakPolarHBondContact ND2-CE1 3.46Å; N458-F536 WeakPolarHBondContact ND2-CE2 3.45Å; N458-F536 WeakPolarHBondContact ND2-CG 3.22Å; N458-F536 VanDerWaalsContact ND2-CZ 3.33Å; N458-F536 WeakPolarHBondContact ND2-CZ 3.37Å
459	G	65.4	Low	85.4	Confident	40 Å²	40	45.9 Å²	45.9	41%	0.412	26%	0.261	S	S	.	.	S	Bend	trans	90.6	-5.3	-178.8	0	0	0	0	0	115.4	E456	E456-G459 PolarHBondContact O-N 2.9Å
460	G	73.6	Confident	85.5	Confident	3 Å²	3	44.6 Å²	44.6	3%	0.031	25%	0.254	C	S	.	.			trans	-66.2	154.3	168.5	0	0	0	0	0	112.3	E456 N458	E456-G460 WeakPolarHBondContact CB-O 3.39Å; E456-G460 PolarHBondContact N-O 3.33Å; N458-G460 PolarHBondContact OD1-N 3.14Å
461	R	82.9	Confident	85.6	Confident	64 Å²	64	46.5 Å²	46.5	24%	0.242	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131	178.6	-59.2	-174.5	171.4	98.8	14.4	111	Y453 K454 D464 S579 F580	Y453-R461 HydrophobicContact CE2-CB 4.39Å; K454-R461 WeakPolarHBondContact O-CA 3.13Å; R461-D464 HydrophobicContact CB-CB 3.87Å; R461-D464 WeakPolarHBondContact CD-OD2 3.27Å; R461-S579 PolarHBondContact NH1-O 3.04Å; R461-F580 HydrophobicContact CB-CD1 4.05Å; R461-F580 HydrophobicContact CB-CE1 4.23Å; R461-F580 HydrophobicContact CG-CD1 4.28Å
462	R	88.6	Confident	85.7	Confident	74 Å²	74	43.3 Å²	43.3	28%	0.279	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.8	173.9	-62	-69.2	-61.9	-78.2	-1.7	109.2	Y453 K454 D464 V538 E541	Y453-R462 WeakPolarHBondContact CA-O 3.36Å; Y453-R462 WeakPolarHBondContact CD2-O 3.4Å; K454-R462 HydrophobicContact CB-CB 4.27Å; K454-R462 PolarHBondContact N-O 2.72Å; K454-R462 VanDerWaalsContact N-O 3.13Å; K454-R462 PolarHBondContact O-N 2.74Å; R462-D464 VanDerWaalsContact C-N 3.29Å; R462-D464 PolarHBondContact O-N 2.7Å; R462-V538 VanDerWaalsContact CZ-CG2 3.47Å; R462-E541 WeakPolarHBondContact CD-OE2 3.47Å; R462-E541 IonicContact CZ-OE1 3.35Å; R462-E541 IonicContact CZ-OE2 3.66Å; R462-E541 IonicContact NE-OE1 3.2Å; R462-E541 PolarHBondContact NE-OE1 3.23Å; R462-E541 IonicContact NE-OE2 3.77Å; R462-E541 PolarHBondContact NE-OE2 2.73Å; R462-E541 IonicContact NH2-OE1 2.66Å; R462-E541 PolarHBondContact NH2-OE1 2.99Å; R462-E541 IonicContact NH2-OE2 3.73Å
463	N	91.6	Very high	85.9	Confident	16 Å²	16	37.8 Å²	37.8	9%	0.086	21%	0.211	C	C	.	.	S	Bend	trans	51.1	42	179.3	-53.8	-60.8	0	0	0	114.3	H450 E452 I465 Y598	H450-N463 HydrophobicContact CB-CB 4.09Å; H450-N463 WeakPolarHBondContact CB-O 3.37Å; H450-N463 VanDerWaalsContact ND1-CB 3.35Å; H450-N463 WeakPolarHBondContact ND1-CB 3.28Å; E452-N463 WeakPolarHBondContact CB-ND2 3.37Å; E452-N463 PolarHBondContact O-ND2 3.03Å; N463-I465 PolarHBondContact O-N 3.27Å; N463-Y598 WeakPolarHBondContact CA-OH 3.23Å; N463-Y598 HydrophobicContact CB-CE1 4.27Å; N463-Y598 WeakPolarHBondContact OD1-CE1 3.35Å; N463-Y598 PolarHBondContact OD1-OH 3.12Å
464	D	93.9	Very high	86	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.206	C	C	.	.			trans	-78.6	54.5	-172.7	-169.8	27.7	0	0	0	113.6	A406 A407 H408 Y453 R461 R462 S579 T593	A406-D464 VanDerWaalsContact CA-O 3.31Å; A406-D464 WeakPolarHBondContact CA-O 3.41Å; A407-D464 WeakPolarHBondContact CA-OD1 3.47Å; A407-D464 WeakPolarHBondContact CB-OD1 3.31Å; A407-D464 PolarHBondContact N-O 2.98Å; A407-D464 PolarHBondContact N-OD1 3.29Å; H408-D464 IonicContact CE1-OD2 3.53Å; H408-D464 PolarHBondContact CE1-OD2 2.92Å; H408-D464 IonicContact CG-OD1 3.9Å; H408-D464 IonicContact CG-OD2 2.62Å; H408-D464 PolarHBondContact N-OD1 3.45Å; H408-D464 IonicContact ND1-OD1 2.72Å; H408-D464 PolarHBondContact ND1-OD1 2.85Å; H408-D464 IonicContact ND1-OD2 3.17Å; H408-D464 PolarHBondContact ND1-OD2 3.15Å; Y453-D464 HydrophobicContact CD2-CB 4.29Å; Y453-D464 HydrophobicContact CE2-CB 4.04Å; Y453-D464 WeakPolarHBondContact CE2-OD1 3.28Å; R461-D464 HydrophobicContact CB-CB 3.87Å; R461-D464 WeakPolarHBondContact CD-OD2 3.27Å; R462-D464 VanDerWaalsContact C-N 3.29Å; R462-D464 PolarHBondContact O-N 2.7Å; D464-S579 WeakPolarHBondContact CB-OG 3.47Å; D464-S579 WeakPolarHBondContact OD2-CB 3.38Å; D464-S579 PolarHBondContact OD2-OG 3.47Å; D464-T593 PolarHBondContact O-OG1 3.39Å
465	I	96.1	Very high	86.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.182	C	C	.	.			trans	-127.2	141.5	-178.7	-172.2	168	0	0	0	112.1	M404 H450 N463 I577 T593 Y598 W601 V602	M404-I465 HydrophobicContact CG-CD1 4.47Å; M404-I465 HydrophobicContact SD-CD1 4.23Å; H450-I465 HydrophobicContact CB-CG2 3.92Å; H450-I465 PolarHBondContact N-O 3.35Å; H450-I465 VanDerWaalsContact N-O 3.1Å; N463-I465 PolarHBondContact O-N 3.27Å; I465-I577 HydrophobicContact CB-CD1 4.15Å; I465-I577 HydrophobicContact CD1-CD1 3.71Å; I465-I577 HydrophobicContact CG1-CD1 3.57Å; I465-T593 HydrophobicContact CB-CG2 4.34Å; I465-Y598 HydrophobicContact CD1-CG 4.25Å; I465-Y598 HydrophobicContact CG2-CD1 3.86Å; I465-Y598 HydrophobicContact CG2-CD2 4.44Å; I465-Y598 HydrophobicContact CG2-CE1 4.26Å; I465-Y598 HydrophobicContact CG2-CG 3.97Å; I465-W601 HydrophobicContact CD1-CE3 4.36Å; I465-W601 HydrophobicContact CD1-CZ3 4.21Å; I465-W601 HydrophobicContact CG1-CZ3 3.93Å; I465-W601 HydrophobicContact CG2-CE3 4.21Å; I465-W601 HydrophobicContact CG2-CH2 4.46Å; I465-W601 HydrophobicContact CG2-CZ3 4.03Å; I465-V602 HydrophobicContact CD1-CG2 3.73Å
466	A	96.6	Very high	86.6	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.3	173.2	0	0	0	0	0	112	T405 L410 V448 I449	T405-A466 HydrophobicContact CG2-CB 4.28Å; T405-A466 PolarHBondContact N-O 2.8Å; T405-A466 PolarHBondContact O-N 2.91Å; L410-A466 HydrophobicContact CD1-CB 3.6Å; V448-A466 CarbonylContact O-C 3.57Å; V448-A466 VanDerWaalsContact O-CA 3.28Å; V448-A466 WeakPolarHBondContact O-CA 3.46Å; V448-A466 WeakPolarHBondContact O-CB 3.49Å; I449-A466 HydrophobicContact CG1-CB 4.03Å
467	L	97.2	Very high	87.3	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.3	170.1	-60.6	179.6	0	0	0	110.2	I392 L402 V403 M404 F447 V448 W601 V602 K605 L609	I392-L467 HydrophobicContact CD1-CD2 3.9Å; L402-L467 HydrophobicContact CD1-CB 4.33Å; L402-L467 HydrophobicContact CD2-CD1 4.44Å; V403-L467 CarbonylContact O-C 3.52Å; V403-L467 WeakPolarHBondContact O-CA 3.37Å; M404-L467 HydrophobicContact CB-CD2 4.06Å; M404-L467 HydrophobicContact CG-CD2 4.21Å; F447-L467 CarbonylContact C-O 3.58Å; F447-L467 VanDerWaalsContact CA-O 3.24Å; F447-L467 WeakPolarHBondContact CA-O 3.28Å; F447-L467 VanDerWaalsContact CB-O 3.32Å; F447-L467 WeakPolarHBondContact CB-O 3.27Å; V448-L467 HydrophobicContact CG1-CB 3.86Å; V448-L467 PolarHBondContact N-O 2.81Å; V448-L467 PolarHBondContact O-N 2.95Å; L467-W601 HydrophobicContact CD1-CZ3 4.28Å; L467-W601 HydrophobicContact CG-CH2 4.24Å; L467-W601 HydrophobicContact CG-CZ3 3.88Å; L467-V602 HydrophobicContact CD1-CG1 4.32Å; L467-V602 HydrophobicContact CD2-CG1 4.24Å; L467-V602 HydrophobicContact CD2-CG2 4.48Å; L467-K605 HydrophobicContact CD1-CB 4.39Å; L467-L609 HydrophobicContact CB-CD1 4.06Å
468	I	96.2	Very high	88.3	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.7	173	-56	168.8	0	0	0	108	I373 V403 T405 L410 V425 A444 F447 L470	I373-I468 HydrophobicContact CD1-CD1 3.71Å; V403-I468 HydrophobicContact CB-CB 4.26Å; V403-I468 HydrophobicContact CG1-CD1 4.44Å; V403-I468 PolarHBondContact N-O 3.08Å; V403-I468 PolarHBondContact O-N 3.06Å; T405-I468 HydrophobicContact CG2-CD1 3.87Å; T405-I468 HydrophobicContact CG2-CG1 4.24Å; L410-I468 HydrophobicContact CD1-CD1 4.35Å; L410-I468 HydrophobicContact CD1-CG1 3.98Å; L410-I468 HydrophobicContact CD2-CD1 4.08Å; L410-I468 HydrophobicContact CD2-CG1 4.48Å; V425-I468 HydrophobicContact CG2-CD1 4.48Å; V425-I468 HydrophobicContact CG2-CG2 4.5Å; A444-I468 HydrophobicContact CB-CG2 3.54Å; F447-I468 HydrophobicContact CB-CB 4.29Å; F447-I468 HydrophobicContact CB-CG1 3.92Å; F447-I468 HydrophobicContact CB-CG2 4.46Å; I468-L470 HydrophobicContact CG2-CD2 4.4Å
469	K	96.1	Very high	89.5	Confident	17 Å²	17	17.5 Å²	17.5	7%	0.074	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125	167.2	-160.1	67	164.9	-178.7	0	108.3	D401 L402 K445 E446 L609 P610	D401-K469 HydrophobicContact CB-CD 4.41Å; D401-K469 VanDerWaalsContact CG-CE 3.41Å; D401-K469 CarbonylContact O-C 3.52Å; D401-K469 WeakPolarHBondContact O-CA 3.24Å; D401-K469 WeakPolarHBondContact OD1-CE 3.18Å; D401-K469 IonicContact OD1-NZ 2.73Å; D401-K469 PolarHBondContact OD1-NZ 3.45Å; D401-K469 VanDerWaalsContact OD2-CE 3.22Å; D401-K469 WeakPolarHBondContact OD2-CE 3.48Å; D401-K469 IonicContact OD2-NZ 2.82Å; D401-K469 PolarHBondContact OD2-NZ 2.65Å; L402-K469 HydrophobicContact CD1-CD 4.05Å; K445-K469 PolarHBondContact N-O 2.89Å; E446-K469 PolarHBondContact N-O 3.12Å; E446-K469 PolarHBondContact O-N 3.06Å; K469-L609 HydrophobicContact CB-CB 4.02Å; K469-L609 HydrophobicContact CB-CD1 4.15Å; K469-L609 HydrophobicContact CB-CD2 4.38Å; K469-L609 HydrophobicContact CB-CG 4.42Å; K469-L609 HydrophobicContact CD-CB 3.79Å; K469-L609 HydrophobicContact CG-CB 3.96Å; K469-P610 WeakPolarHBondContact CE-O 3.19Å; K469-P610 WeakPolarHBondContact CG-O 3.13Å
470	L	96.3	Very high	90.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	151.1	-179.9	-61	178.3	0	0	0	111.1	L391 D401 V403 V425 V442 I468 H472 I474	L391-L470 HydrophobicContact CD2-CD1 4.38Å; D401-L470 PolarHBondContact O-N 2.74Å; V403-L470 HydrophobicContact CG2-CD1 4.13Å; V403-L470 HydrophobicContact CG2-CD2 4.26Å; V403-L470 HydrophobicContact CG2-CG 4.34Å; V425-L470 HydrophobicContact CB-CD2 3.88Å; V425-L470 HydrophobicContact CG1-CD2 4.15Å; V425-L470 HydrophobicContact CG2-CD2 3.79Å; V442-L470 HydrophobicContact CG1-CB 4.03Å; V442-L470 HydrophobicContact CG1-CD1 4.45Å; V442-L470 HydrophobicContact CG1-CD2 4.28Å; V442-L470 HydrophobicContact CG1-CG 4.48Å; I468-L470 HydrophobicContact CG2-CD2 4.4Å; L470-H472 VanDerWaalsContact C-N 3.28Å; L470-H472 WeakPolarHBondContact CB-O 3.02Å; L470-I474 HydrophobicContact CD1-CD1 4.03Å; L470-I474 HydrophobicContact CD1-CG1 3.6Å
471	E	94.7	Very high	91.6	Very high	62 Å²	62	15.6 Å²	15.6	29%	0.29	7%	0.069	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	-39.1	172.2	-174.4	168.8	-164.2	0	0	111.1	K443 P612 T613	K443-E471 HydrophobicContact CB-CB 4.38Å; K443-E471 WeakPolarHBondContact O-CB 3.4Å; K443-E471 PolarHBondContact O-N 2.62Å; E471-P612 CarbonylContact O-C 3.58Å; E471-P612 WeakPolarHBondContact O-CB 2.96Å; E471-T613 HydrophobicContact CG-CG2 4.25Å; E471-T613 WeakPolarHBondContact CG-OG1 3.49Å; E471-T613 PolarHBondContact O-N 2.66Å; E471-T613 PolarHBondContact O-OG1 2.94Å
472	H	94.5	Very high	92.2	Very high	45 Å²	45	12.6 Å²	12.6	21%	0.208	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.4	179.9	-53.2	-60.8	0	0	0	111.8	V442 L470 I474 S614 F616	V442-H472 HydrophobicContact CG1-CB 4.31Å; L470-H472 VanDerWaalsContact C-N 3.28Å; L470-H472 WeakPolarHBondContact CB-O 3.02Å; H472-I474 WeakPolarHBondContact O-CD1 3.28Å; H472-I474 PolarHBondContact O-N 3Å; H472-S614 CarbonylContact C-O 3.58Å; H472-S614 VanDerWaalsContact CA-O 3.25Å; H472-S614 WeakPolarHBondContact CA-O 3.36Å; H472-S614 PolarHBondContact CE1-OG 2.96Å; H472-S614 PolarHBondContact ND1-OG 2.94Å; H472-F616 HydrophobicContact CB-CB 3.81Å; H472-F616 HydrophobicContact CB-CD2 4.06Å; H472-F616 HydrophobicContact CB-CG 4.46Å
473	A	93.1	Very high	92.5	Very high	7 Å²	7	9 Å²	9	6%	0.058	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	125.4	170.4	0	0	0	0	0	110.1	R399 P475 P612 S614 F616	R399-A473 HydrophobicContact CB-CB 4.47Å; R399-A473 HydrophobicContact CG-CB 4.4Å; A473-P475 WeakPolarHBondContact O-CD 3.29Å; A473-P612 HydrophobicContact CB-CB 4.45Å; A473-P612 HydrophobicContact CB-CG 3.95Å; A473-S614 PolarHBondContact N-O 3Å; A473-F616 WeakPolarHBondContact O-CB 3.48Å; A473-F616 PolarHBondContact O-N 2.91Å
474	I	92.8	Very high	92.7	Very high	1 Å²	1	9 Å²	9	1%	0.005	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	114	-178.9	-46	-52.5	0	0	0	108.5	R399 T400 V427 V442 L470 H472 T480 F616 L621	R399-I474 CarbonylContact C-O 3.58Å; R399-I474 WeakPolarHBondContact CA-O 3.44Å; R399-I474 WeakPolarHBondContact CB-O 3.48Å; T400-I474 PolarHBondContact N-O 2.82Å; T400-I474 PolarHBondContact O-N 2.83Å; V427-I474 HydrophobicContact CG1-CG1 4.35Å; V427-I474 HydrophobicContact CG2-CD1 4.34Å; V427-I474 HydrophobicContact CG2-CG2 4.2Å; V442-I474 HydrophobicContact CG1-CD1 4.16Å; V442-I474 HydrophobicContact CG2-CD1 3.72Å; L470-I474 HydrophobicContact CD1-CD1 4.03Å; L470-I474 HydrophobicContact CD1-CG1 3.6Å; H472-I474 WeakPolarHBondContact O-CD1 3.28Å; H472-I474 PolarHBondContact O-N 3Å; I474-T480 HydrophobicContact CG2-CG2 3.9Å; I474-F616 HydrophobicContact CD1-CB 3.77Å; I474-F616 HydrophobicContact CD1-CD2 4.34Å; I474-F616 HydrophobicContact CD1-CG 3.99Å; I474-L621 HydrophobicContact CG2-CD1 3.98Å
475	P	89.8	Confident	92.8	Very high	6 Å²	6	9.6 Å²	9.6	4%	0.039	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	152.6	175.2	26.7	-32.6	0	0	0	111.3	A473 T480 Y618 L621	A473-P475 WeakPolarHBondContact O-CD 3.29Å; P475-T480 PolarHBondContact O-OG1 2.87Å; P475-Y618 HydrophobicContact CB-CD2 4.1Å; P475-Y618 HydrophobicContact CB-CE2 4.28Å; P475-Y618 HydrophobicContact CG-CD2 3.73Å; P475-Y618 HydrophobicContact CG-CE2 4.21Å; P475-L621 HydrophobicContact CG-CD1 3.8Å
476	Y	88.2	Confident	92.8	Very high	11 Å²	11	9.6 Å²	9.6	4%	0.043	5%	0.049	C	C	.	.			trans	-76.9	132.5	177.9	-62.6	-10.6	0	0	0	110.9	Q393 G397 N398 R399 T400 T480 P482	Q393-Y476 PolarHBondContact OE1-OH 2.9Å; G397-Y476 WeakPolarHBondContact O-CE2 3.43Å; N398-Y476 VanDerWaalsContact C-CG 3.48Å; N398-Y476 PolarHBondContact O-N 2.85Å; R399-Y476 VanDerWaalsContact CA-CE1 3.43Å; R399-Y476 PolarHBondContact O-OH 3.48Å; T400-Y476 HydrophobicContact CG2-CE1 3.94Å; T400-Y476 VanDerWaalsContact N-CE1 3.34Å; Y476-T480 VanDerWaalsContact CA-O 3.26Å; Y476-T480 WeakPolarHBondContact CA-O 3.39Å; Y476-P482 VanDerWaalsContact CE1-CD 3.47Å; Y476-P482 HydrophobicContact CE1-CG 3.98Å; Y476-P482 HydrophobicContact CE2-CG 4.14Å; Y476-P482 WeakPolarHBondContact OH-CG 3.35Å
477	T	84.4	Confident	92.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-144.5	170.6	-178	78.6	0	0	0	0	109	I479 T480 V481 Y618 L621	T477-I479 PolarHBondContact O-N 3.49Å; T477-I479 WeakPolarHBondContact OG1-CG1 3.42Å; T477-I479 PolarHBondContact OG1-N 2.99Å; T477-I479 VanDerWaalsContact OG1-N 3.11Å; T477-T480 WeakPolarHBondContact CB-OG1 3.49Å; T477-T480 WeakPolarHBondContact CG2-OG1 3.47Å; T477-T480 PolarHBondContact N-O 3.02Å; T477-T480 PolarHBondContact N-OG1 2.89Å; T477-T480 CarbonylContact O-C 2.73Å; T477-T480 PolarHBondContact O-N 2.9Å; T477-T480 VanDerWaalsContact O-N 3.11Å; T477-T480 PolarHBondContact OG1-N 3.16Å; T477-T480 PolarHBondContact OG1-OG1 2.94Å; T477-V481 WeakPolarHBondContact O-CG2 3.23Å; T477-Y618 WeakPolarHBondContact CB-OH 3.42Å; T477-Y618 HydrophobicContact CG2-CD2 4.48Å; T477-Y618 HydrophobicContact CG2-CE1 4.42Å; T477-Y618 HydrophobicContact CG2-CE2 3.49Å; T477-Y618 VanDerWaalsContact CG2-CE2 3.49Å; T477-Y618 VanDerWaalsContact CG2-CZ 3.43Å; T477-Y618 WeakPolarHBondContact CG2-OH 3.4Å; T477-L621 HydrophobicContact CG2-CB 4.2Å; T477-L621 HydrophobicContact CG2-CD1 3.94Å
478	D	82.1	Confident	92.3	Very high	22 Å²	22	17.8 Å²	17.8	12%	0.118	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.4	173.7	-60.6	-60.1	0	0	0	114	A341 H343 F344	A341-D478 HydrophobicContact CB-CB 3.76Å; A341-D478 WeakPolarHBondContact CB-OD1 3.37Å; H343-D478 IonicContact CE1-OD1 3.27Å; H343-D478 IonicContact CE1-OD2 3.88Å; F344-D478 HydrophobicContact CD2-CB 4.47Å; F344-D478 HydrophobicContact CE2-CB 3.93Å
479	I	86	Confident	91.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-3.8	178.9	75.4	172.4	0	0	0	114.1	F344 H365 P368 G428 T477 L621 E623 T638	F344-I479 HydrophobicContact CE2-CG2 3.86Å; F344-I479 HydrophobicContact CZ-CG2 4.41Å; H365-I479 HydrophobicContact CB-CB 4.13Å; H365-I479 HydrophobicContact CB-CG2 3.71Å; H365-I479 VanDerWaalsContact CG-CG2 3.44Å; P368-I479 VanDerWaalsContact CB-C 3.45Å; P368-I479 WeakPolarHBondContact CB-O 3.45Å; G428-I479 VanDerWaalsContact CA-O 3.27Å; G428-I479 WeakPolarHBondContact CA-O 2.9Å; T477-I479 PolarHBondContact O-N 3.49Å; T477-I479 WeakPolarHBondContact OG1-CG1 3.42Å; T477-I479 PolarHBondContact OG1-N 2.99Å; T477-I479 VanDerWaalsContact OG1-N 3.11Å; I479-L621 WeakPolarHBondContact CD1-O 3.33Å; I479-E623 HydrophobicContact CG2-CB 4.35Å; I479-E623 HydrophobicContact CG2-CG 4.2Å; I479-T638 HydrophobicContact CG1-CG2 4.27Å; I479-T638 HydrophobicContact CG2-CG2 4.24Å
480	T	90.6	Very high	91.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-138.3	95.9	178.2	47.3	0	0	0	0	110.3	L391 V427 I474 P475 Y476 T477 L621	L391-T480 HydrophobicContact CD1-CG2 4.44Å; V427-T480 HydrophobicContact CB-CG2 4.29Å; V427-T480 HydrophobicContact CG2-CG2 4.41Å; I474-T480 HydrophobicContact CG2-CG2 3.9Å; P475-T480 PolarHBondContact O-OG1 2.87Å; Y476-T480 VanDerWaalsContact CA-O 3.26Å; Y476-T480 WeakPolarHBondContact CA-O 3.39Å; T477-T480 WeakPolarHBondContact CB-OG1 3.49Å; T477-T480 WeakPolarHBondContact CG2-OG1 3.47Å; T477-T480 PolarHBondContact N-O 3.02Å; T477-T480 PolarHBondContact N-OG1 2.89Å; T477-T480 CarbonylContact O-C 2.73Å; T477-T480 PolarHBondContact O-N 2.9Å; T477-T480 VanDerWaalsContact O-N 3.11Å; T477-T480 PolarHBondContact OG1-N 3.16Å; T477-T480 PolarHBondContact OG1-OG1 2.94Å; T480-L621 HydrophobicContact CG2-CD1 4.44Å; T480-L621 HydrophobicContact CG2-CD2 4.08Å
481	V	91.8	Very high	91	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.018	16%	0.164	C	C	.	.			trans	-136.4	133.9	176.6	-176.2	0	0	0	0	107.3	Y335 K336 P368 W369 T477	Y335-V481 HydrophobicContact CD1-CG2 4.16Å; K336-V481 WeakPolarHBondContact O-CG1 3.34Å; P368-V481 CarbonylContact C-O 3.55Å; P368-V481 HydrophobicContact CB-CB 4.38Å; P368-V481 HydrophobicContact CG-CB 3.99Å; P368-V481 HydrophobicContact CG-CG2 4.29Å; P368-V481 PolarHBondContact O-N 2.82Å; W369-V481 VanDerWaalsContact CA-O 3.24Å; W369-V481 WeakPolarHBondContact CA-O 2.85Å; W369-V481 VanDerWaalsContact CB-O 3.28Å; W369-V481 WeakPolarHBondContact CB-O 3.1Å; W369-V481 PolarHBondContact N-O 3.23Å; T477-V481 WeakPolarHBondContact O-CG2 3.23Å
482	P	95.1	Very high	90.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-69.4	152.7	179.1	31	-38.4	0	0	0	111.7	C337 G338 L391 Q393 Y476	C337-P482 CarbonylContact C-O 3.53Å; C337-P482 VanDerWaalsContact CA-O 3.28Å; C337-P482 WeakPolarHBondContact CA-O 3.48Å; C337-P482 HydrophobicContact CB-CG 4.24Å; G338-P482 PolarHBondContact N-O 2.75Å; L391-P482 HydrophobicContact CB-CB 4.42Å; L391-P482 CarbonylContact O-C 3.53Å; L391-P482 WeakPolarHBondContact O-CA 3.1Å; L391-P482 WeakPolarHBondContact O-CB 3.32Å; Q393-P482 HydrophobicContact CB-CB 4.25Å; Q393-P482 HydrophobicContact CB-CG 4.07Å; Q393-P482 HydrophobicContact CG-CB 4.31Å; Q393-P482 HydrophobicContact CG-CG 3.91Å; Y476-P482 VanDerWaalsContact CE1-CD 3.47Å; Y476-P482 HydrophobicContact CE1-CG 3.98Å; Y476-P482 HydrophobicContact CE2-CG 4.14Å; Y476-P482 WeakPolarHBondContact OH-CG 3.35Å
483	V	96.2	Very high	90.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-77.1	148.8	167	69.4	0	0	0	0	109.7	W369 A390 L391 I392 V563 W572 A574	W369-V483 HydrophobicContact CB-CB 3.88Å; W369-V483 HydrophobicContact CB-CG1 4.44Å; W369-V483 HydrophobicContact CD2-CB 3.99Å; W369-V483 HydrophobicContact CD2-CG2 4.32Å; W369-V483 HydrophobicContact CE3-CB 4.43Å; W369-V483 HydrophobicContact CG-CB 3.73Å; W369-V483 HydrophobicContact CG-CG2 4.41Å; A390-V483 HydrophobicContact CB-CG1 3.99Å; L391-V483 PolarHBondContact O-N 3.49Å; I392-V483 HydrophobicContact CG2-CG1 3.99Å; V483-V563 HydrophobicContact CG2-CG1 3.81Å; V483-W572 VanDerWaalsContact CG2-O 3.3Å; V483-W572 WeakPolarHBondContact CG2-O 3.48Å; V483-A574 HydrophobicContact CB-CB 4.36Å; V483-A574 HydrophobicContact CG1-CB 3.55Å; V483-A574 HydrophobicContact CG2-CB 3.88Å
484	C	95.7	Very high	89.9	Confident	15 Å²	15	38 Å²	38	10%	0.101	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-70.9	148.4	171.8	-61.2	0	0	0	0	110.5	C337 W572 K573 A574	C337-C484 HydrophobicContact CB-CB 4.04Å; C337-C484 WeakPolarHBondContact CB-SG 3.2Å; C337-C484 PolarHBondContact O-SG 3.1Å; C337-C484 WeakPolarHBondContact SG-CA 3.35Å; C337-C484 WeakPolarHBondContact SG-CB 3.47Å; C337-C484 CovalentContact SG-SG 2.05Å; C337-C484 PolarHBondContact SG-SG 3.03Å; C484-W572 PolarHBondContact N-O 2.85Å; C484-W572 VanDerWaalsContact N-O 3.15Å; C484-K573 HydrophobicContact CB-CG 4.04Å; C484-K573 CarbonylContact O-C 3.55Å; C484-K573 VanDerWaalsContact O-CA 3.28Å; C484-K573 WeakPolarHBondContact O-CA 3.43Å; C484-A574 PolarHBondContact O-N 2.9Å
485	L	95.6	Very high	89.7	Confident	13 Å²	13	40.1 Å²	40.1	7%	0.068	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-90.2	145.2	168.2	-67.3	173.8	0	0	0	109.7	I392 L394 M404 V595 V602	I392-L485 HydrophobicContact CB-CD2 4.4Å; I392-L485 HydrophobicContact CB-CG 4.47Å; I392-L485 HydrophobicContact CD1-CD1 4.27Å; I392-L485 HydrophobicContact CG2-CD2 3.88Å; I392-L485 HydrophobicContact CG2-CG 4.42Å; L394-L485 HydrophobicContact CD2-CD1 3.94Å; M404-L485 HydrophobicContact CE-CD2 4.04Å; M404-L485 HydrophobicContact SD-CD2 4.11Å; L485-V595 HydrophobicContact CD2-CG1 3.93Å; L485-V602 HydrophobicContact CD1-CG1 3.83Å
486	P	94.9	Very high	89.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-67.4	160.8	171.1	29.8	-35.7	0	0	0	111.5	E490 A574 Y575 V595 R599	P486-E490 WeakPolarHBondContact CA-OE2 3.28Å; P486-E490 HydrophobicContact CB-CB 4.2Å; P486-E490 WeakPolarHBondContact CB-OE2 3.45Å; P486-A574 WeakPolarHBondContact CD-O 3.48Å; P486-Y575 HydrophobicContact CB-CD1 4.01Å; P486-Y575 HydrophobicContact CB-CE1 3.84Å; P486-Y575 HydrophobicContact CG-CD1 4.34Å; P486-V595 HydrophobicContact CG-CB 4.12Å; P486-V595 HydrophobicContact CG-CG1 3.99Å; P486-R599 WeakPolarHBondContact O-CD 3.21Å; P486-R599 PolarHBondContact O-NH1 3.02Å
487	E	92.8	Very high	89.8	Confident	111 Å²	111	45.7 Å²	45.7	52%	0.519	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-70.6	155.7	172	-68.2	-54	137.2	0	0	111.4	A489 E490 S596	E487-A489 PolarHBondContact O-N 3.43Å; E487-E490 HydrophobicContact CB-CB 4.21Å; E487-E490 PolarHBondContact N-OE2 3.14Å; E487-E490 VanDerWaalsContact O-CB 3.27Å; E487-E490 WeakPolarHBondContact O-CB 3.45Å; E487-E490 PolarHBondContact O-N 3.17Å; E487-S596 WeakPolarHBondContact O-CB 3.43Å
488	P	91.9	Very high	90.2	Very high	60 Å²	60	45.7 Å²	45.7	39%	0.39	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	124.3	177.1	-24.3	33.7	0	0	0	111.8	E490 R599	P488-E490 PolarHBondContact O-N 2.71Å; P488-R599 HydrophobicContact CB-CB 4.47Å; P488-R599 HydrophobicContact CG-CB 4.25Å; P488-R599 HydrophobicContact CG-CG 3.85Å
489	A	83.4	Confident	90.6	Very high	73 Å²	73	44.7 Å²	44.7	60%	0.603	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	19.2	-175.9	0	0	0	0	0	116.3	E487 K491 S596	E487-A489 PolarHBondContact O-N 3.43Å; A489-K491 PolarHBondContact O-N 3.17Å; A489-S596 PolarHBondContact N-O 3.33Å
490	E	91.1	Very high	90.9	Very high	41 Å²	41	44.8 Å²	44.8	19%	0.192	25%	0.251	C	S	.	.			trans	-57.9	132.4	168	-168.8	172.6	-172.7	0	0	110.5	P486 E487 P488 K573 Y575 S596	P486-E490 WeakPolarHBondContact CA-OE2 3.28Å; P486-E490 HydrophobicContact CB-CB 4.2Å; P486-E490 WeakPolarHBondContact CB-OE2 3.45Å; E487-E490 HydrophobicContact CB-CB 4.21Å; E487-E490 PolarHBondContact N-OE2 3.14Å; E487-E490 VanDerWaalsContact O-CB 3.27Å; E487-E490 WeakPolarHBondContact O-CB 3.45Å; E487-E490 PolarHBondContact O-N 3.17Å; P488-E490 PolarHBondContact O-N 2.71Å; E490-K573 IonicContact OE1-NZ 2.81Å; E490-K573 PolarHBondContact OE1-NZ 2.98Å; E490-K573 IonicContact OE2-NZ 3.19Å; E490-K573 PolarHBondContact OE2-NZ 2.04Å; E490-Y575 HydrophobicContact CB-CE1 4.39Å; E490-Y575 HydrophobicContact CG-CE1 4.02Å; E490-Y575 PolarHBondContact OE1-OH 2.89Å; E490-S596 VanDerWaalsContact O-CB 3.32Å; E490-S596 WeakPolarHBondContact O-CB 3.4Å; E490-S596 PolarHBondContact O-OG 2.65Å
491	K	85.7	Confident	90.9	Very high	184 Å²	184	45 Å²	45	80%	0.8	25%	0.253	S	S	*	.			trans	-114.9	134.1	-176.1	-64.6	-171.2	180	-173.4	0	111.4	A489	A489-K491 PolarHBondContact O-N 3.17Å
492	L	87	Confident	90.8	Very high	34 Å²	34	44.9 Å²	44.9	18%	0.178	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-85.6	147.9	166.3	-70.3	174	0	0	0	111	I524 C564 Y575	L492-I524 HydrophobicContact CB-CG1 4.13Å; L492-I524 HydrophobicContact CD1-CD1 3.69Å; L492-I524 HydrophobicContact CD1-CG1 3.77Å; L492-C564 HydrophobicContact CD1-CB 4.15Å; L492-C564 VanDerWaalsContact CD1-SG 3.53Å; L492-C564 HydrophobicContact CD2-CB 4.46Å; L492-Y575 HydrophobicContact CD1-CD1 3.8Å; L492-Y575 HydrophobicContact CD1-CD2 3.8Å; L492-Y575 HydrophobicContact CD1-CE1 4.2Å; L492-Y575 HydrophobicContact CD1-CE2 4.19Å; L492-Y575 HydrophobicContact CD1-CG 3.55Å; L492-Y575 HydrophobicContact CD2-CD1 4.36Å; L492-Y575 HydrophobicContact CD2-CD2 4.17Å; L492-Y575 HydrophobicContact CD2-CE1 3.92Å; L492-Y575 HydrophobicContact CD2-CE2 3.68Å; L492-Y575 HydrophobicContact CD2-CG 4.45Å; L492-Y575 HydrophobicContact CG-CD1 3.74Å; L492-Y575 HydrophobicContact CG-CD2 4.18Å; L492-Y575 HydrophobicContact CG-CE1 3.66Å; L492-Y575 HydrophobicContact CG-CE2 4.1Å; L492-Y575 HydrophobicContact CG-CG 3.97Å
493	Q	85.9	Confident	90.3	Very high	159 Å²	159	45.1 Å²	45.1	74%	0.743	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-78.9	154.9	169.9	-65.8	-177.3	-10.6	0	0	110.8	H496	Q493-H496 VanDerWaalsContact O-CB 3.27Å; Q493-H496 WeakPolarHBondContact O-CB 3.22Å; Q493-H496 PolarHBondContact O-N 2.8Å
494	A	88.1	Confident	89.3	Confident	64 Å²	64	45.1 Å²	45.1	53%	0.529	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	147	172.1	0	0	0	0	0	110.8	H496 P526	A494-H496 VanDerWaalsContact C-N 3.25Å; A494-H496 PolarHBondContact O-N 2.94Å; A494-P526 HydrophobicContact CB-CG 3.76Å
495	G	87.1	Confident	88.2	Confident	46 Å²	46	45.7 Å²	45.7	47%	0.474	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-10.2	-174.5	0	0	0	0	0	114.9	E497 I524	G495-E497 PolarHBondContact O-N 2.82Å; G495-I524 PolarHBondContact N-O 2.86Å
496	H	90.3	Very high	86.7	Confident	43 Å²	43	46.4 Å²	46.4	20%	0.199	26%	0.259	C	S	.	.			trans	-61	131.3	-178.4	-157.5	92.6	0	0	0	111.9	Q493 A494 K523 I524 R565	Q493-H496 VanDerWaalsContact O-CB 3.27Å; Q493-H496 WeakPolarHBondContact O-CB 3.22Å; Q493-H496 PolarHBondContact O-N 2.8Å; A494-H496 VanDerWaalsContact C-N 3.25Å; A494-H496 PolarHBondContact O-N 2.94Å; H496-K523 WeakPolarHBondContact O-CA 3.34Å; H496-I524 HydrophobicContact CB-CB 4.4Å; H496-I524 HydrophobicContact CB-CG1 4.03Å; H496-I524 PolarHBondContact O-N 3.24Å; H496-R565 PolarHBondContact CE1-O 2.8Å; H496-R565 PolarHBondContact NE2-O 2.61Å
497	E	89.9	Confident	85.2	Confident	91 Å²	91	48.3 Å²	48.3	43%	0.425	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	131.5	-177.1	-68.2	-171.5	146.4	0	0	112.3	G495 V521 K523	G495-E497 PolarHBondContact O-N 2.82Å; E497-V521 HydrophobicContact CB-CG1 4.45Å; E497-K523 HydrophobicContact CG-CD 4.4Å; E497-K523 HydrophobicContact CG-CG 3.92Å; E497-K523 WeakPolarHBondContact OE1-CE 3.11Å; E497-K523 IonicContact OE1-NZ 3.36Å; E497-K523 PolarHBondContact OE1-NZ 3.46Å
498	C	92.8	Very high	83.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	163.7	-178.8	-59.1	0	0	0	0	110.3	V521 V522 L562 V563 C564	C498-V521 WeakPolarHBondContact O-CA 3.5Å; C498-V522 HydrophobicContact CB-CG2 4.3Å; C498-V522 PolarHBondContact N-O 3.42Å; C498-V522 PolarHBondContact O-N 2.86Å; C498-L562 HydrophobicContact CB-CD1 3.63Å; C498-L562 HydrophobicContact CB-CG 4.04Å; C498-V563 CarbonylContact C-O 3.44Å; C498-V563 VanDerWaalsContact CA-O 3.3Å; C498-V563 WeakPolarHBondContact CA-O 3.19Å; C498-V563 WeakPolarHBondContact CB-O 3.43Å; C498-C564 HydrophobicContact CB-CB 4.05Å; C498-C564 WeakPolarHBondContact CB-SG 3.08Å; C498-C564 WeakPolarHBondContact SG-CB 3.32Å; C498-C564 CovalentContact SG-SG 2.04Å; C498-C564 PolarHBondContact SG-SG 2.72Å
499	I	91.8	Very high	82.1	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.1	174.4	-60.6	167.6	0	0	0	109.1	I346 M348 A501 M519 A520 V521 L562 V563 W572	I346-I499 HydrophobicContact CG2-CD1 3.43Å; I346-I499 VanDerWaalsContact CG2-CD1 3.43Å; M348-I499 HydrophobicContact CE-CG1 4.28Å; M348-I499 HydrophobicContact SD-CD1 3.69Å; M348-I499 HydrophobicContact SD-CG1 3.94Å; I499-A501 HydrophobicContact CG2-CB 4.46Å; I499-M519 HydrophobicContact CD1-CE 3.86Å; I499-M519 HydrophobicContact CG1-CE 4.05Å; I499-M519 HydrophobicContact CG2-CB 4.11Å; I499-M519 HydrophobicContact CG2-CE 3.87Å; I499-A520 WeakPolarHBondContact CA-O 3.48Å; I499-V521 HydrophobicContact CG1-CG2 4.47Å; I499-L562 WeakPolarHBondContact O-CA 3.5Å; I499-V563 HydrophobicContact CB-CG2 3.84Å; I499-V563 HydrophobicContact CG2-CG2 4.48Å; I499-V563 PolarHBondContact N-O 2.62Å; I499-V563 PolarHBondContact O-N 3.39Å; I499-W572 HydrophobicContact CD1-CE3 4.48Å; I499-W572 HydrophobicContact CD1-CH2 3.33Å; I499-W572 HydrophobicContact CD1-CZ2 3.77Å; I499-W572 HydrophobicContact CD1-CZ3 3.74Å; I499-W572 HydrophobicContact CG1-CH2 3.89Å; I499-W572 HydrophobicContact CG1-CZ3 4.01Å
500	V	91.6	Very high	80.6	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.2	157.8	64.4	0	0	0	0	108.8	M519 A520 V522 F553 L562 V578 Y592	V500-M519 CarbonylContact O-C 3.57Å; V500-M519 VanDerWaalsContact O-CA 3.29Å; V500-M519 WeakPolarHBondContact O-CA 3.39Å; V500-A520 HydrophobicContact CG1-CB 4.2Å; V500-A520 PolarHBondContact N-O 2.93Å; V500-A520 PolarHBondContact O-N 3.27Å; V500-V522 HydrophobicContact CG1-CG1 4.12Å; V500-F553 HydrophobicContact CG2-CB 4.11Å; V500-L562 HydrophobicContact CB-CD1 4.43Å; V500-V578 HydrophobicContact CG2-CG2 3.58Å; V500-Y592 HydrophobicContact CB-CE1 4.44Å; V500-Y592 HydrophobicContact CG2-CE1 4.1Å
501	A	90.8	Very high	78.6	Confident	5 Å²	5	49.2 Å²	49.2	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	149.6	179.4	0	0	0	0	0	112	L367 I499 L517 S518 M519 S560	L367-A501 HydrophobicContact CD1-CB 3.42Å; L367-A501 VanDerWaalsContact CD1-CB 3.42Å; I499-A501 HydrophobicContact CG2-CB 4.46Å; A501-L517 HydrophobicContact CB-CD1 4.12Å; A501-S518 CarbonylContact C-O 3.58Å; A501-S518 WeakPolarHBondContact CA-O 3.37Å; A501-S518 WeakPolarHBondContact CB-O 2.86Å; A501-M519 HydrophobicContact CB-CB 3.84Å; A501-S560 WeakPolarHBondContact O-CB 3.46Å; A501-S560 PolarHBondContact O-OG 3.34Å
502	G	89.1	Confident	77	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	-176.2	178.6	0	0	0	0	0	113.4	S518 D557	G502-S518 PolarHBondContact N-O 3.28Å; G502-S518 PolarHBondContact O-N 3.09Å; G502-D557 VanDerWaalsContact CA-OD1 3.28Å; G502-D557 WeakPolarHBondContact CA-OD1 3.22Å
503	W	84.6	Confident	75.9	Confident	5 Å²	5	41.8 Å²	41.8	2%	0.019	23%	0.227	C	C	.	.	S	Bend	trans	-104.1	18.7	176.3	-64.3	-88.9	0	0	0	111.5	T370 L372 I429 H430 Y513 Q514 L517	T370-W503 HydrophobicContact CG2-CH2 4.14Å; T370-W503 HydrophobicContact CG2-CZ3 3.9Å; L372-W503 HydrophobicContact CB-CE3 3.9Å; L372-W503 HydrophobicContact CB-CH2 4.37Å; L372-W503 HydrophobicContact CB-CZ3 3.83Å; L372-W503 HydrophobicContact CD1-CB 4.26Å; L372-W503 HydrophobicContact CD1-CD2 4.19Å; L372-W503 HydrophobicContact CD1-CE3 3.76Å; L372-W503 HydrophobicContact CD1-CG 4.42Å; L372-W503 HydrophobicContact CG-CE3 4.41Å; I429-W503 HydrophobicContact CD1-CH2 4.26Å; I429-W503 HydrophobicContact CD1-CZ2 3.91Å; I429-W503 HydrophobicContact CG1-CH2 4.02Å; I429-W503 HydrophobicContact CG1-CZ2 3.76Å; H430-W503 PolarHBondContact O-NE1 2.83Å; W503-Y513 CarbonylContact O-C 3.51Å; W503-Y513 WeakPolarHBondContact O-CA 3.34Å; W503-Y513 VanDerWaalsContact O-CB 3.25Å; W503-Y513 WeakPolarHBondContact O-CB 3.4Å; W503-Q514 PolarHBondContact O-N 2.71Å; W503-L517 HydrophobicContact CD2-CD1 4.07Å; W503-L517 HydrophobicContact CE3-CD1 4.12Å; W503-L517 HydrophobicContact CH2-CD1 3.93Å; W503-L517 HydrophobicContact CH2-CD2 4.32Å; W503-L517 HydrophobicContact CZ2-CB 3.76Å; W503-L517 HydrophobicContact CZ2-CD1 3.85Å; W503-L517 HydrophobicContact CZ2-CD2 4.16Å; W503-L517 HydrophobicContact CZ2-CG 4.13Å; W503-L517 HydrophobicContact CZ3-CD1 4.05Å
504	G	75.8	Confident	74.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.			trans	-64.7	-176	-176.8	0	0	0	0	0	115.3	Q514 H555 D557	G504-Q514 PolarHBondContact O-N 2.89Å; G504-H555 CarbonylContact C-O 3.58Å; G504-H555 VanDerWaalsContact CA-O 3.3Å; G504-H555 WeakPolarHBondContact CA-O 3.47Å; G504-D557 WeakPolarHBondContact CA-OD1 3.5Å; G504-D557 PolarHBondContact N-OD1 2.85Å
505	Q	71.2	Confident	73.7	Confident	26 Å²	26	33.2 Å²	33.2	12%	0.121	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-68.2	143.5	172.5	-71.4	-179.4	-5.1	0	0	110.7	S507 S510 Y513 C554 H555	Q505-S507 VanDerWaalsContact C-N 3.32Å; Q505-S507 PolarHBondContact O-N 3.27Å; Q505-S510 VanDerWaalsContact CG-O 3.24Å; Q505-S510 WeakPolarHBondContact CG-O 3.33Å; Q505-S510 PolarHBondContact NE2-O 3.24Å; Q505-S510 VanDerWaalsContact NE2-O 3.12Å; Q505-S510 PolarHBondContact OE1-O 3.3Å; Q505-Y513 HydrophobicContact CG-CD1 4.15Å; Q505-Y513 HydrophobicContact CG-CE1 4.11Å; Q505-C554 HydrophobicContact CB-CB 4.28Å; Q505-C554 WeakPolarHBondContact O-CB 3.27Å; Q505-H555 HydrophobicContact CG-CB 4.33Å; Q505-H555 PolarHBondContact N-O 3.09Å; Q505-H555 PolarHBondContact OE1-CD2 2.86Å
506	T	65.7	Low	72.9	Confident	28 Å²	28	32.9 Å²	32.9	17%	0.172	17%	0.166	C	C	.	.	S	Bend	trans	-84.9	-6.1	-180	54.8	0	0	0	0	114.4	R355 I356 S357 Q514	R355-T506 HydrophobicContact CB-CG2 4.35Å; I356-T506 CarbonylContact C-O 3.59Å; I356-T506 HydrophobicContact CG1-CG2 4.21Å; I356-T506 VanDerWaalsContact N-CG2 3.31Å; S357-T506 PolarHBondContact N-O 3.12Å; S357-T506 PolarHBondContact OG-O 2.91Å; T506-Q514 HydrophobicContact CG2-CG 3.51Å
507	S	61.7	Low	72.5	Confident	40 Å²	40	31 Å²	31	28%	0.28	16%	0.158	S	C	.	.	S	Bend	trans	-164.7	164.3	169.2	69.8	0	0	0	0	109.2	Q505 Y509 S510	Q505-S507 VanDerWaalsContact C-N 3.32Å; Q505-S507 PolarHBondContact O-N 3.27Å; S507-Y509 PolarHBondContact O-N 2.71Å; S507-Y509 PolarHBondContact OG-N 3.19Å; S507-S510 VanDerWaalsContact O-CB 3.25Å; S507-S510 WeakPolarHBondContact O-CB 3.37Å; S507-S510 PolarHBondContact O-N 3.36Å; S507-S510 PolarHBondContact OG-N 3.14Å
508	H	63.5	Low	72.1	Confident	70 Å²	70	26.7 Å²	26.7	32%	0.324	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.3	175.6	-174.2	-72.1	0	0	0	113.9	C554 H555 N583 C585	H508-C554 PolarHBondContact N-SG 3.45Å; H508-H555 AromaticContact CD2-NE2 3.63Å; H508-H555 AromaticContact NE2-NE2 3.91Å; H508-N583 PolarHBondContact CD2-O 3.1Å; H508-N583 PolarHBondContact NE2-O 3.48Å; H508-N583 VanDerWaalsContact NE2-O 3.17Å; H508-C585 HydrophobicContact CB-CB 4.28Å
509	Y	57.1	Low	71.8	Confident	151 Å²	151	26.7 Å²	26.7	59%	0.592	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	3.8	177.9	-50.5	-70.8	0	0	0	113.3	S507 P511	S507-Y509 PolarHBondContact O-N 2.71Å; S507-Y509 PolarHBondContact OG-N 3.19Å; Y509-P511 VanDerWaalsContact O-CD 3.24Å; Y509-P511 WeakPolarHBondContact O-CD 3.35Å
510	S	52	Low	71.4	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.021	14%	0.138	C	C	.	.			trans	-82.2	110.6	178	172.5	0	0	0	0	109.9	P24 Q505 S507 A512	P24-S510 VanDerWaalsContact CB-OG 3.24Å; P24-S510 WeakPolarHBondContact CB-OG 3.33Å; P24-S510 VanDerWaalsContact CG-OG 3.3Å; P24-S510 WeakPolarHBondContact CG-OG 3.36Å; Q505-S510 VanDerWaalsContact CG-O 3.24Å; Q505-S510 WeakPolarHBondContact CG-O 3.33Å; Q505-S510 PolarHBondContact NE2-O 3.24Å; Q505-S510 VanDerWaalsContact NE2-O 3.12Å; Q505-S510 PolarHBondContact OE1-O 3.3Å; S507-S510 VanDerWaalsContact O-CB 3.25Å; S507-S510 WeakPolarHBondContact O-CB 3.37Å; S507-S510 PolarHBondContact O-N 3.36Å; S507-S510 PolarHBondContact OG-N 3.14Å; S510-A512 PolarHBondContact O-N 3.07Å; S510-A512 VanDerWaalsContact O-N 3.16Å; S510-A512 PolarHBondContact OG-O 2.98Å
511	P	49.3	Very low	71.1	Confident	81 Å²	81	27.7 Å²	27.7	53%	0.526	14%	0.144	S	C	.	.			trans	-64	-18.4	175.7	25.9	-36.6	0	0	0	113.8	G23 Y509	G23-P511 WeakPolarHBondContact O-CG 3.43Å; Y509-P511 VanDerWaalsContact O-CD 3.24Å; Y509-P511 WeakPolarHBondContact O-CD 3.35Å
512	A	51.8	Low	71	Confident	10 Å²	10	27.5 Å²	27.5	8%	0.083	14%	0.142	C	C	.	.	S	Bend	trans	-114.8	148.6	-170.3	0	0	0	0	0	114.4	Y22 P24 S510	Y22-A512 WeakPolarHBondContact O-CB 3.24Å; P24-A512 HydrophobicContact CG-CB 3.92Å; S510-A512 PolarHBondContact O-N 3.07Å; S510-A512 VanDerWaalsContact O-N 3.16Å; S510-A512 PolarHBondContact OG-O 2.98Å
513	Y	63.7	Low	71.1	Confident	51 Å²	51	30.5 Å²	30.5	20%	0.2	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-73.7	154.8	164.6	-61.9	-56.4	0	0	0	111.1	L386 W503 Q505 H555	L386-Y513 HydrophobicContact CB-CE2 4.47Å; L386-Y513 HydrophobicContact CD1-CD2 3.64Å; L386-Y513 HydrophobicContact CD1-CE2 4.2Å; L386-Y513 HydrophobicContact CD1-CG 3.93Å; L386-Y513 HydrophobicContact CG-CD2 4.31Å; L386-Y513 HydrophobicContact CG-CE2 4.38Å; W503-Y513 CarbonylContact O-C 3.51Å; W503-Y513 WeakPolarHBondContact O-CA 3.34Å; W503-Y513 VanDerWaalsContact O-CB 3.25Å; W503-Y513 WeakPolarHBondContact O-CB 3.4Å; Q505-Y513 HydrophobicContact CG-CD1 4.15Å; Q505-Y513 HydrophobicContact CG-CE1 4.11Å; Y513-H555 WeakPolarHBondContact CE1-O 3.47Å
514	Q	62.3	Low	71.5	Confident	7 Å²	7	30.9 Å²	30.9	3%	0.033	16%	0.157	C	C	.	.			trans	-78.8	137.7	176.1	-68.7	-50	-90.2	0	0	112.1	Q432 W503 G504 T506 E516	Q432-Q514 PolarHBondContact NE2-O 2.76Å; W503-Q514 PolarHBondContact O-N 2.71Å; G504-Q514 PolarHBondContact O-N 2.89Å; T506-Q514 HydrophobicContact CG2-CG 3.51Å; Q514-E516 WeakPolarHBondContact CB-O 3.29Å
515	S	64.8	Low	72.3	Confident	36 Å²	36	31.6 Å²	31.6	25%	0.252	16%	0.162	S	C	.	.	S	Bend	trans	-65.8	-47.6	172.8	-53.3	0	0	0	0	110.8	H431 Q432	H431-S515 CarbonylContact C-O 3.57Å; H431-S515 WeakPolarHBondContact CA-O 3.46Å; H431-S515 WeakPolarHBondContact NE2-CB 3.34Å; Q432-S515 WeakPolarHBondContact CG-O 3.43Å; Q432-S515 PolarHBondContact N-O 3.02Å
516	E	71	Confident	73.3	Confident	39 Å²	39	33.3 Å²	33.3	18%	0.182	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-94.2	145.5	179.1	-54	82.3	-177.5	0	0	113.1	R355 E361 H430 H431 Q514 S518	R355-E516 IonicContact CZ-OE2 3.33Å; R355-E516 IonicContact NH1-OE2 3.62Å; R355-E516 PolarHBondContact NH1-OE2 3Å; R355-E516 IonicContact NH2-OE2 2.64Å; E361-E516 HydrophobicContact CG-CB 3.91Å; H430-E516 CarbonylContact O-C 3.53Å; H430-E516 WeakPolarHBondContact O-CA 3.5Å; H431-E516 IonicContact CD2-OE1 2.77Å; Q514-E516 WeakPolarHBondContact CB-O 3.29Å; E516-S518 PolarHBondContact O-N 3.01Å; E516-S518 PolarHBondContact O-OG 2.94Å
517	L	81	Confident	74.5	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.026	17%	0.174	C	C	.	.			trans	-60.4	118.2	175.5	179.9	58.9	0	0	0	109.8	A362 L367 T370 H430 A501 W503	A362-L517 HydrophobicContact CB-CD2 4.43Å; A362-L517 HydrophobicContact CB-CG 4.16Å; A362-L517 WeakPolarHBondContact CB-O 3.04Å; A362-L517 PolarHBondContact N-O 3.03Å; L367-L517 HydrophobicContact CB-CD2 4.23Å; L367-L517 HydrophobicContact CD1-CD2 4.31Å; T370-L517 HydrophobicContact CG2-CD1 4.19Å; H430-L517 PolarHBondContact O-N 2.83Å; A501-L517 HydrophobicContact CB-CD1 4.12Å; W503-L517 HydrophobicContact CD2-CD1 4.07Å; W503-L517 HydrophobicContact CE3-CD1 4.12Å; W503-L517 HydrophobicContact CH2-CD1 3.93Å; W503-L517 HydrophobicContact CH2-CD2 4.32Å; W503-L517 HydrophobicContact CZ2-CB 3.76Å; W503-L517 HydrophobicContact CZ2-CD1 3.85Å; W503-L517 HydrophobicContact CZ2-CD2 4.16Å; W503-L517 HydrophobicContact CZ2-CG 4.13Å; W503-L517 HydrophobicContact CZ3-CD1 4.05Å
518	S	82.5	Confident	75.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	151.2	179.6	-61.1	0	0	0	0	110.4	I356 W360 A501 G502 E516	I356-S518 VanDerWaalsContact CD1-CB 3.47Å; W360-S518 CarbonylContact O-C 3.4Å; W360-S518 WeakPolarHBondContact O-CA 3.45Å; A501-S518 CarbonylContact C-O 3.58Å; A501-S518 WeakPolarHBondContact CA-O 3.37Å; A501-S518 WeakPolarHBondContact CB-O 2.86Å; G502-S518 PolarHBondContact N-O 3.28Å; G502-S518 PolarHBondContact O-N 3.09Å; E516-S518 PolarHBondContact O-N 3.01Å; E516-S518 PolarHBondContact O-OG 2.94Å
519	M	85.6	Confident	77.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	152.9	-174.9	63.3	176	-76.8	0	0	112.2	I346 K347 G359 W360 A362 L367 I499 V500 A501	I346-M519 HydrophobicContact CG2-CE 4.11Å; K347-M519 WeakPolarHBondContact O-CE 3.45Å; G359-M519 CarbonylContact C-O 3.45Å; G359-M519 VanDerWaalsContact CA-O 3.3Å; G359-M519 WeakPolarHBondContact CA-O 3.31Å; W360-M519 HydrophobicContact CZ2-CE 3.98Å; W360-M519 PolarHBondContact N-O 3.48Å; W360-M519 PolarHBondContact O-N 3.49Å; W360-M519 VanDerWaalsContact O-O 3.05Å; A362-M519 HydrophobicContact CB-CB 4.36Å; A362-M519 HydrophobicContact CB-CG 4Å; A362-M519 HydrophobicContact CB-SD 3.94Å; L367-M519 HydrophobicContact CD1-CB 4.36Å; L367-M519 HydrophobicContact CD1-SD 4.47Å; I499-M519 HydrophobicContact CD1-CE 3.86Å; I499-M519 HydrophobicContact CG1-CE 4.05Å; I499-M519 HydrophobicContact CG2-CB 4.11Å; I499-M519 HydrophobicContact CG2-CE 3.87Å; V500-M519 CarbonylContact O-C 3.57Å; V500-M519 VanDerWaalsContact O-CA 3.29Å; V500-M519 WeakPolarHBondContact O-CA 3.39Å; A501-M519 HydrophobicContact CB-CB 3.84Å
520	A	83.5	Confident	78.6	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145	171.5	0	0	0	0	0	110.2	I499 V500	I499-A520 WeakPolarHBondContact CA-O 3.48Å; V500-A520 HydrophobicContact CG1-CB 4.2Å; V500-A520 PolarHBondContact N-O 2.93Å; V500-A520 PolarHBondContact O-N 3.27Å
521	V	85.9	Confident	80.3	Confident	25 Å²	25	34.5 Å²	34.5	15%	0.152	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130	169.6	173.4	0	0	0	0	108.9	M348 W360 E497 C498 I499	M348-V521 HydrophobicContact CE-CG1 4.16Å; M348-V521 HydrophobicContact CE-CG2 3.66Å; M348-V521 HydrophobicContact SD-CG2 4.24Å; W360-V521 HydrophobicContact CH2-CB 4.05Å; W360-V521 HydrophobicContact CH2-CG2 3.54Å; W360-V521 HydrophobicContact CZ2-CG2 3.9Å; E497-V521 HydrophobicContact CB-CG1 4.45Å; C498-V521 WeakPolarHBondContact O-CA 3.5Å; I499-V521 HydrophobicContact CG1-CG2 4.47Å
522	V	88.6	Confident	82.1	Confident	1 Å²	1	39 Å²	39	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151.4	-177.4	-61.2	0	0	0	0	109.9	C498 V500 T545 L562	C498-V522 HydrophobicContact CB-CG2 4.3Å; C498-V522 PolarHBondContact N-O 3.42Å; C498-V522 PolarHBondContact O-N 2.86Å; V500-V522 HydrophobicContact CG1-CG1 4.12Å; V522-T545 HydrophobicContact CG2-CG2 3.91Å; V522-L562 HydrophobicContact CG2-CD1 3.56Å
523	K	91.5	Very high	83.4	Confident	63 Å²	63	42 Å²	42	27%	0.274	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138	-179.6	-72.7	168.5	177.9	168.4	0	110.5	H496 E497 T545 K546 E548	H496-K523 WeakPolarHBondContact O-CA 3.34Å; E497-K523 HydrophobicContact CG-CD 4.4Å; E497-K523 HydrophobicContact CG-CG 3.92Å; E497-K523 WeakPolarHBondContact OE1-CE 3.11Å; E497-K523 IonicContact OE1-NZ 3.36Å; E497-K523 PolarHBondContact OE1-NZ 3.46Å; K523-T545 CarbonylContact O-C 3.56Å; K523-T545 WeakPolarHBondContact O-CA 3.41Å; K523-T545 VanDerWaalsContact O-CB 3.32Å; K523-T545 WeakPolarHBondContact O-CB 3.33Å; K523-K546 PolarHBondContact N-O 3.41Å; K523-K546 PolarHBondContact O-N 3.29Å; K523-E548 IonicContact NZ-OE1 3.87Å; K523-E548 PolarHBondContact NZ-OE1 3.08Å
524	I	93.8	Very high	84.1	Confident	12 Å²	12	40.8 Å²	40.8	6%	0.062	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	135.4	173.8	-60.4	-60.6	0	0	0	109.8	L492 G495 H496 T545 L562	L492-I524 HydrophobicContact CB-CG1 4.13Å; L492-I524 HydrophobicContact CD1-CD1 3.69Å; L492-I524 HydrophobicContact CD1-CG1 3.77Å; G495-I524 PolarHBondContact N-O 2.86Å; H496-I524 HydrophobicContact CB-CB 4.4Å; H496-I524 HydrophobicContact CB-CG1 4.03Å; H496-I524 PolarHBondContact O-N 3.24Å; I524-T545 HydrophobicContact CD1-CG2 4.05Å; I524-L562 HydrophobicContact CD1-CD2 4.12Å
525	V	92	Very high	84.7	Confident	16 Å²	16	49.6 Å²	49.6	10%	0.097	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.8	-179.7	172.6	0	0	0	0	109.8	F527 E529 C544 K546 F589	V525-F527 PolarHBondContact O-N 3.31Å; V525-E529 HydrophobicContact CG1-CB 3.92Å; V525-E529 HydrophobicContact CG1-CG 4.36Å; V525-C544 HydrophobicContact CB-CB 4.49Å; V525-C544 PolarHBondContact N-O 3.26Å; V525-K546 HydrophobicContact CG2-CB 3.78Å; V525-F589 HydrophobicContact CB-CD1 4.18Å; V525-F589 HydrophobicContact CB-CE1 4.24Å; V525-F589 HydrophobicContact CG1-CD1 3.81Å; V525-F589 HydrophobicContact CG1-CE1 3.52Å; V525-F589 HydrophobicContact CG1-CE2 4.38Å; V525-F589 HydrophobicContact CG1-CG 4.34Å; V525-F589 HydrophobicContact CG1-CZ 3.87Å; V525-F589 HydrophobicContact CG2-CD1 3.75Å; V525-F589 HydrophobicContact CG2-CE1 3.79Å
526	P	92.3	Very high	85.2	Confident	62 Å²	62	52.5 Å²	52.5	40%	0.403	25%	0.249	S	C	.	.			trans	-54.1	135.9	173.9	-24.1	33.6	0	0	0	112.3	A494 D528 E529 C530	A494-P526 HydrophobicContact CB-CG 3.76Å; P526-D528 VanDerWaalsContact C-N 3.27Å; P526-D528 PolarHBondContact O-N 2.92Å; P526-E529 HydrophobicContact CB-CB 4.39Å; P526-E529 WeakPolarHBondContact O-CB 3.45Å; P526-E529 PolarHBondContact O-N 2.71Å; P526-C530 PolarHBondContact O-N 3.04Å
527	F	90.4	Very high	85.8	Confident	34 Å²	34	51.1 Å²	51.1	15%	0.149	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-40.8	-177.7	179.8	-98.3	0	0	0	112.4	V525 E529 C530 K531 I537 V538 E539	V525-F527 PolarHBondContact O-N 3.31Å; F527-E529 VanDerWaalsContact C-N 3.28Å; F527-E529 PolarHBondContact O-N 3.23Å; F527-C530 WeakPolarHBondContact O-CB 3.39Å; F527-C530 PolarHBondContact O-N 3.13Å; F527-C530 VanDerWaalsContact O-N 3.11Å; F527-K531 HydrophobicContact CD1-CD 4.41Å; F527-K531 HydrophobicContact CE1-CB 4.36Å; F527-K531 HydrophobicContact CE1-CD 3.77Å; F527-K531 HydrophobicContact CE1-CG 4.31Å; F527-K531 HydrophobicContact CZ-CD 4.48Å; F527-K531 WeakPolarHBondContact O-CB 3.44Å; F527-K531 PolarHBondContact O-N 3.45Å; F527-I537 HydrophobicContact CD2-CD1 4.13Å; F527-I537 HydrophobicContact CE2-CB 4.11Å; F527-I537 HydrophobicContact CE2-CD1 3.53Å; F527-I537 HydrophobicContact CE2-CG1 3.77Å; F527-I537 HydrophobicContact CZ-CB 4.3Å; F527-I537 HydrophobicContact CZ-CD1 3.87Å; F527-I537 HydrophobicContact CZ-CG1 3.73Å; F527-V538 VanDerWaalsContact CZ-C 3.43Å; F527-E539 HydrophobicContact CD1-CB 3.96Å; F527-E539 HydrophobicContact CD1-CG 3.75Å; F527-E539 HydrophobicContact CE1-CB 3.53Å; F527-E539 HydrophobicContact CE1-CG 3.88Å; F527-E539 HydrophobicContact CE2-CB 4.47Å; F527-E539 HydrophobicContact CG-CG 4.2Å; F527-E539 HydrophobicContact CZ-CB 3.84Å; F527-E539 HydrophobicContact CZ-CG 4.44Å
528	D	90.5	Very high	86.1	Confident	100 Å²	100	53.3 Å²	53.3	54%	0.535	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-27.5	177.1	-69.7	-41.6	0	0	0	114.2	P526 K532	P526-D528 VanDerWaalsContact C-N 3.27Å; P526-D528 PolarHBondContact O-N 2.92Å; D528-K532 WeakPolarHBondContact O-CE 3.48Å; D528-K532 WeakPolarHBondContact O-CG 3.45Å
529	E	90	Very high	86.3	Confident	84 Å²	84	59.7 Å²	59.7	39%	0.393	29%	0.286	S	S	.	.	H	α-helix	trans	-73.6	-41.8	172.7	-160.9	-175.9	165.8	0	0	110.1	V525 P526 F527 K531 K532 F589	V525-E529 HydrophobicContact CG1-CB 3.92Å; V525-E529 HydrophobicContact CG1-CG 4.36Å; P526-E529 HydrophobicContact CB-CB 4.39Å; P526-E529 WeakPolarHBondContact O-CB 3.45Å; P526-E529 PolarHBondContact O-N 2.71Å; F527-E529 VanDerWaalsContact C-N 3.28Å; F527-E529 PolarHBondContact O-N 3.23Å; E529-K531 VanDerWaalsContact C-N 3.35Å; E529-K531 PolarHBondContact O-N 3.49Å; E529-K532 WeakPolarHBondContact O-CB 3.41Å; E529-K532 PolarHBondContact O-N 2.96Å; E529-F589 HydrophobicContact CB-CZ 4.45Å; E529-F589 HydrophobicContact CG-CE2 3.98Å; E529-F589 HydrophobicContact CG-CZ 3.69Å; E529-F589 WeakPolarHBondContact O-CE2 3.37Å; E529-F589 WeakPolarHBondContact OE1-CZ 3.23Å
530	C	88.7	Confident	86.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-36.9	175.4	-165	0	0	0	0	113.4	P526 F527 K532 E533 I537 C544 F589	P526-C530 PolarHBondContact O-N 3.04Å; F527-C530 WeakPolarHBondContact O-CB 3.39Å; F527-C530 PolarHBondContact O-N 3.13Å; F527-C530 VanDerWaalsContact O-N 3.11Å; C530-K532 PolarHBondContact O-N 3.25Å; C530-E533 WeakPolarHBondContact O-CB 3.46Å; C530-E533 PolarHBondContact O-N 3.48Å; C530-E533 VanDerWaalsContact O-N 3.12Å; C530-I537 HydrophobicContact CB-CD1 3.93Å; C530-C544 HydrophobicContact CB-CB 3.47Å; C530-C544 VanDerWaalsContact CB-CB 3.47Å; C530-C544 WeakPolarHBondContact CB-SG 3.5Å; C530-C544 WeakPolarHBondContact SG-CB 3.48Å; C530-C544 CovalentContact SG-SG 2.02Å; C530-C544 PolarHBondContact SG-SG 3.17Å; C530-F589 HydrophobicContact CB-CD2 4.22Å
531	K	88.1	Confident	86.7	Confident	99 Å²	99	62.7 Å²	62.7	43%	0.43	31%	0.309	S	S	.	.	H	α-helix	trans	-66.8	-22.1	178.8	-162.4	-177	-166.8	173.1	0	112.9	F527 E529 E533 T534 I537	F527-K531 HydrophobicContact CD1-CD 4.41Å; F527-K531 HydrophobicContact CE1-CB 4.36Å; F527-K531 HydrophobicContact CE1-CD 3.77Å; F527-K531 HydrophobicContact CE1-CG 4.31Å; F527-K531 HydrophobicContact CZ-CD 4.48Å; F527-K531 WeakPolarHBondContact O-CB 3.44Å; F527-K531 PolarHBondContact O-N 3.45Å; E529-K531 VanDerWaalsContact C-N 3.35Å; E529-K531 PolarHBondContact O-N 3.49Å; K531-E533 VanDerWaalsContact C-N 3.31Å; K531-T534 CarbonylContact O-C 3.59Å; K531-T534 PolarHBondContact O-N 3.37Å; K531-I537 HydrophobicContact CB-CD1 4.13Å; K531-I537 HydrophobicContact CB-CG1 4.42Å; K531-I537 HydrophobicContact CG-CG1 4.4Å
532	K	86.9	Confident	86.9	Confident	174 Å²	174	62 Å²	62	76%	0.757	31%	0.305	S	S	*	.	H	α-helix	trans	-69.4	-27.5	172.7	-68.6	163.2	-166.9	174.6	0	112.5	D528 E529 C530	D528-K532 WeakPolarHBondContact O-CE 3.48Å; D528-K532 WeakPolarHBondContact O-CG 3.45Å; E529-K532 WeakPolarHBondContact O-CB 3.41Å; E529-K532 PolarHBondContact O-N 2.96Å; C530-K532 PolarHBondContact O-N 3.25Å
533	E	79.4	Confident	87.1	Confident	75 Å²	75	63.3 Å²	63.3	35%	0.35	31%	0.312	S	S	.	.	H	α-helix	trans	-78.9	-29.4	174.4	-67.5	-172.5	155.6	0	0	113.3	C530 K531 T588 F589 K591	C530-E533 WeakPolarHBondContact O-CB 3.46Å; C530-E533 PolarHBondContact O-N 3.48Å; C530-E533 VanDerWaalsContact O-N 3.12Å; K531-E533 VanDerWaalsContact C-N 3.31Å; E533-T588 WeakPolarHBondContact OE1-CA 3.34Å; E533-T588 WeakPolarHBondContact OE1-CB 3.24Å; E533-T588 WeakPolarHBondContact OE2-CB 3.33Å; E533-F589 HydrophobicContact CG-CD2 3.68Å; E533-F589 HydrophobicContact CG-CE2 3.9Å; E533-F589 VanDerWaalsContact OE1-CD2 3.27Å; E533-F589 WeakPolarHBondContact OE1-CD2 3.21Å; E533-F589 PolarHBondContact OE1-N 3.47Å; E533-F589 WeakPolarHBondContact OE2-CB 3.48Å; E533-F589 VanDerWaalsContact OE2-CD2 3.24Å; E533-F589 WeakPolarHBondContact OE2-CD2 2.94Å; E533-F589 PolarHBondContact OE2-N 3.43Å; E533-K591 IonicContact OE2-NZ 2.75Å; E533-K591 PolarHBondContact OE2-NZ 2.86Å
534	T	77.3	Confident	87.2	Confident	24 Å²	24	60.5 Å²	60.5	15%	0.147	30%	0.3	C	S	.	.			trans	-151.8	133.4	-173.1	177.1	0	0	0	0	113.1	K531 F536 I537	K531-T534 CarbonylContact O-C 3.59Å; K531-T534 PolarHBondContact O-N 3.37Å; T534-F536 PolarHBondContact O-N 3.25Å; T534-F536 WeakPolarHBondContact OG1-CD2 3.35Å; T534-F536 PolarHBondContact OG1-N 2.96Å; T534-I537 HydrophobicContact CG2-CD1 4.33Å; T534-I537 HydrophobicContact CG2-CG1 4.26Å; T534-I537 HydrophobicContact CG2-CG2 3.82Å
535	K	74.3	Confident	87.1	Confident	192 Å²	192	59.9 Å²	59.9	84%	0.835	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.9	175.5	-62.9	-172.7	178.8	-176.6	0	113.6
536	F	76	Confident	86.8	Confident	98 Å²	98	64.9 Å²	64.9	43%	0.43	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	12	-168.2	-48.7	-58.2	0	0	0	114.3	N458 T534	N458-F536 HydrophobicContact CB-CD2 4.14Å; N458-F536 HydrophobicContact CB-CE2 3.83Å; N458-F536 HydrophobicContact CB-CZ 4.22Å; N458-F536 VanDerWaalsContact CG-CD2 3.46Å; N458-F536 WeakPolarHBondContact ND2-CD1 3.32Å; N458-F536 WeakPolarHBondContact ND2-CE1 3.46Å; N458-F536 WeakPolarHBondContact ND2-CE2 3.45Å; N458-F536 WeakPolarHBondContact ND2-CG 3.22Å; N458-F536 VanDerWaalsContact ND2-CZ 3.33Å; N458-F536 WeakPolarHBondContact ND2-CZ 3.37Å; T534-F536 PolarHBondContact O-N 3.25Å; T534-F536 WeakPolarHBondContact OG1-CD2 3.35Å; T534-F536 PolarHBondContact OG1-N 2.96Å
537	I	84.4	Confident	86	Confident	9 Å²	9	62.5 Å²	62.5	5%	0.046	30%	0.304	C	S	.	.			trans	-103.3	141.6	172.9	61.9	175.5	0	0	0	110.9	F527 C530 K531 T534 V542 F580	F527-I537 HydrophobicContact CD2-CD1 4.13Å; F527-I537 HydrophobicContact CE2-CB 4.11Å; F527-I537 HydrophobicContact CE2-CD1 3.53Å; F527-I537 HydrophobicContact CE2-CG1 3.77Å; F527-I537 HydrophobicContact CZ-CB 4.3Å; F527-I537 HydrophobicContact CZ-CD1 3.87Å; F527-I537 HydrophobicContact CZ-CG1 3.73Å; C530-I537 HydrophobicContact CB-CD1 3.93Å; K531-I537 HydrophobicContact CB-CD1 4.13Å; K531-I537 HydrophobicContact CB-CG1 4.42Å; K531-I537 HydrophobicContact CG-CG1 4.4Å; T534-I537 HydrophobicContact CG2-CD1 4.33Å; T534-I537 HydrophobicContact CG2-CG1 4.26Å; T534-I537 HydrophobicContact CG2-CG2 3.82Å; I537-V542 HydrophobicContact CB-CB 4.34Å; I537-V542 HydrophobicContact CB-CG1 4.46Å; I537-V542 HydrophobicContact CB-CG2 4.27Å; I537-V542 HydrophobicContact CG2-CB 4.39Å; I537-V542 HydrophobicContact CG2-CG1 4.07Å; I537-V542 HydrophobicContact CG2-CG2 4.21Å; I537-F580 HydrophobicContact CG2-CE2 4.38Å; I537-F580 HydrophobicContact CG2-CZ 3.89Å
538	V	86.6	Confident	84.7	Confident	52 Å²	52	66.8 Å²	66.8	32%	0.315	32%	0.324	S	S	.	.			trans	-109	138.7	175.9	176.2	0	0	0	0	109.3	R462 F527 E541	R462-V538 VanDerWaalsContact CZ-CG2 3.47Å; F527-V538 VanDerWaalsContact CZ-C 3.43Å; V538-E541 HydrophobicContact CB-CB 4.4Å; V538-E541 HydrophobicContact CB-CG 4.31Å; V538-E541 HydrophobicContact CG1-CG 4.3Å; V538-E541 PolarHBondContact O-N 3.46Å
539	E	86.2	Confident	83.4	Confident	133 Å²	133	68.5 Å²	68.5	62%	0.621	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	139	-178.4	-165.6	174	166.4	0	0	110.4	F527 E541	F527-E539 HydrophobicContact CD1-CB 3.96Å; F527-E539 HydrophobicContact CD1-CG 3.75Å; F527-E539 HydrophobicContact CE1-CB 3.53Å; F527-E539 HydrophobicContact CE1-CG 3.88Å; F527-E539 HydrophobicContact CE2-CB 4.47Å; F527-E539 HydrophobicContact CG-CG 4.2Å; F527-E539 HydrophobicContact CZ-CB 3.84Å; F527-E539 HydrophobicContact CZ-CG 4.44Å; E539-E541 PolarHBondContact O-N 2.92Å
540	G	86.7	Confident	82.2	Confident	33 Å²	33	71.3 Å²	71.3	34%	0.34	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-31.7	-173.3	0	0	0	0	0	114.3	N594 S597	G540-N594 VanDerWaalsContact O-CB 3.23Å; G540-N594 WeakPolarHBondContact O-CB 3.42Å; G540-N594 PolarHBondContact O-ND2 3.15Å; G540-S597 WeakPolarHBondContact O-CB 3.26Å; G540-S597 PolarHBondContact O-OG 2.81Å
541	E	90.6	Very high	81.2	Confident	30 Å²	30	71.5 Å²	71.5	14%	0.14	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-27.3	178	-69.8	-175.3	-149	0	0	113.9	R462 V538 E539 N594	R462-E541 WeakPolarHBondContact CD-OE2 3.47Å; R462-E541 IonicContact CZ-OE1 3.35Å; R462-E541 IonicContact CZ-OE2 3.66Å; R462-E541 IonicContact NE-OE1 3.2Å; R462-E541 PolarHBondContact NE-OE1 3.23Å; R462-E541 IonicContact NE-OE2 3.77Å; R462-E541 PolarHBondContact NE-OE2 2.73Å; R462-E541 IonicContact NH2-OE1 2.66Å; R462-E541 PolarHBondContact NH2-OE1 2.99Å; R462-E541 IonicContact NH2-OE2 3.73Å; V538-E541 HydrophobicContact CB-CB 4.4Å; V538-E541 HydrophobicContact CB-CG 4.31Å; V538-E541 HydrophobicContact CG1-CG 4.3Å; V538-E541 PolarHBondContact O-N 3.46Å; E539-E541 PolarHBondContact O-N 2.92Å; E541-N594 PolarHBondContact O-N 3.41Å
542	V	91.6	Very high	80.7	Confident	12 Å²	12	66.8 Å²	66.8	7%	0.073	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.6	-170	177.5	0	0	0	0	111.4	I537 K591 Y592	I537-V542 HydrophobicContact CB-CB 4.34Å; I537-V542 HydrophobicContact CB-CG1 4.46Å; I537-V542 HydrophobicContact CB-CG2 4.27Å; I537-V542 HydrophobicContact CG2-CB 4.39Å; I537-V542 HydrophobicContact CG2-CG1 4.07Å; I537-V542 HydrophobicContact CG2-CG2 4.21Å; V542-K591 HydrophobicContact CG1-CB 3.82Å; V542-K591 HydrophobicContact CG1-CG 4.25Å; V542-Y592 CarbonylContact C-O 3.55Å; V542-Y592 VanDerWaalsContact CA-O 3.31Å; V542-Y592 WeakPolarHBondContact CA-O 3.33Å
543	L	93	Very high	80.7	Confident	28 Å²	28	58.8 Å²	58.8	15%	0.147	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	148	161.6	-62.2	178.2	0	0	0	109.5	Y575 Y592 N594	L543-Y575 WeakPolarHBondContact CD1-O 3.33Å; L543-Y592 PolarHBondContact N-O 3.11Å; L543-Y592 PolarHBondContact O-N 2.71Å; L543-N594 HydrophobicContact CD1-CB 4.49Å; L543-N594 HydrophobicContact CD2-CB 4.39Å; L543-N594 HydrophobicContact CG-CB 3.88Å
544	C	92.8	Very high	80.7	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.02	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.7	175.1	-60.1	0	0	0	0	111.6	V525 C530 F589 D590	V525-C544 HydrophobicContact CB-CB 4.49Å; V525-C544 PolarHBondContact N-O 3.26Å; C530-C544 HydrophobicContact CB-CB 3.47Å; C530-C544 VanDerWaalsContact CB-CB 3.47Å; C530-C544 WeakPolarHBondContact CB-SG 3.5Å; C530-C544 WeakPolarHBondContact SG-CB 3.48Å; C530-C544 CovalentContact SG-SG 2.02Å; C530-C544 PolarHBondContact SG-SG 3.17Å; C544-F589 HydrophobicContact CB-CB 4.26Å; C544-D590 CarbonylContact C-O 3.52Å; C544-D590 VanDerWaalsContact CA-O 3.25Å; C544-D590 WeakPolarHBondContact CA-O 3.26Å
545	T	91.9	Very high	80.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	166	176.6	77.9	0	0	0	0	112.8	V522 K523 I524 L562 F589 D590 Y592	V522-T545 HydrophobicContact CG2-CG2 3.91Å; K523-T545 CarbonylContact O-C 3.56Å; K523-T545 WeakPolarHBondContact O-CA 3.41Å; K523-T545 VanDerWaalsContact O-CB 3.32Å; K523-T545 WeakPolarHBondContact O-CB 3.33Å; I524-T545 HydrophobicContact CD1-CG2 4.05Å; T545-L562 HydrophobicContact CG2-CD1 4.14Å; T545-L562 HydrophobicContact CG2-CD2 3.66Å; T545-F589 WeakPolarHBondContact O-CA 3.15Å; T545-D590 PolarHBondContact N-O 3.48Å; T545-D590 PolarHBondContact O-N 2.75Å; T545-Y592 HydrophobicContact CG2-CD2 4.04Å; T545-Y592 HydrophobicContact CG2-CE2 3.5Å; T545-Y592 VanDerWaalsContact CG2-CE2 3.5Å; T545-Y592 VanDerWaalsContact OG1-CE2 3.24Å; T545-Y592 WeakPolarHBondContact OG1-CE2 2.93Å; T545-Y592 PolarHBondContact OG1-OH 3.11Å
546	K	86.2	Confident	80.8	Confident	121 Å²	121	49.9 Å²	49.9	53%	0.526	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	128.2	168.9	-170.4	168.1	-179.1	174.4	0	108.7	K523 V525 F589	K523-K546 PolarHBondContact N-O 3.41Å; K523-K546 PolarHBondContact O-N 3.29Å; V525-K546 HydrophobicContact CG2-CB 3.78Å; K546-F589 HydrophobicContact CB-CD1 4.03Å; K546-F589 HydrophobicContact CB-CE1 4.28Å; K546-F589 HydrophobicContact CD-CD1 4.11Å; K546-F589 HydrophobicContact CD-CE1 3.71Å; K546-F589 HydrophobicContact CG-CD1 4.49Å
547	G	74.1	Confident	81.4	Confident	12 Å²	12	45.3 Å²	45.3	12%	0.124	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	158.8	169.8	0	0	0	0	0	113	G551	G547-G551 WeakPolarHBondContact CA-O 3.33Å; G547-G551 PolarHBondContact N-O 3.24Å
548	E	64.4	Low	81.7	Confident	123 Å²	123	45.9 Å²	45.9	58%	0.575	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-74	149.2	175.1	-66.4	177.8	-166.7	0	0	110.6	K523 R550 G551	K523-E548 IonicContact NZ-OE1 3.87Å; K523-E548 PolarHBondContact NZ-OE1 3.08Å; E548-R550 PolarHBondContact O-N 2.75Å; E548-R550 VanDerWaalsContact O-N 3.14Å; E548-G551 WeakPolarHBondContact O-CA 3.38Å; E548-G551 PolarHBondContact O-N 3.01Å
549	N	61.9	Low	82	Confident	136 Å²	136	43.5 Å²	43.5	73%	0.727	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	53.7	32.6	-177.3	-58.9	-48.6	0	0	0	114.5	G358	G358-N549 WeakPolarHBondContact CA-O 3.48Å
550	R	65.9	Low	82.4	Confident	143 Å²	143	37.1 Å²	37.1	54%	0.54	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	68.5	28.7	-169.9	-52.9	-176.4	179.3	157.8	1.6	113.8	S357 E548 G552 S586	S357-R550 CarbonylContact C-O 3.54Å; S357-R550 WeakPolarHBondContact CB-O 3.19Å; S357-R550 CarbonylContact O-C 3.58Å; E548-R550 PolarHBondContact O-N 2.75Å; E548-R550 VanDerWaalsContact O-N 3.14Å; R550-G552 PolarHBondContact O-N 2.88Å; R550-S586 WeakPolarHBondContact CB-O 3.49Å; R550-S586 WeakPolarHBondContact CG-O 3.48Å; R550-S586 WeakPolarHBondContact O-CB 3.41Å; R550-S586 PolarHBondContact O-OG 3.01Å
551	G	66	Low	82.9	Confident	4 Å²	4	35.8 Å²	35.8	4%	0.041	18%	0.176	C	C	.	.			trans	-48.3	130.5	167.2	0	0	0	0	0	111.7	S357 G547 E548	S357-G551 WeakPolarHBondContact O-CA 3.43Å; G547-G551 WeakPolarHBondContact CA-O 3.33Å; G547-G551 PolarHBondContact N-O 3.24Å; E548-G551 WeakPolarHBondContact O-CA 3.38Å; E548-G551 PolarHBondContact O-N 3.01Å
552	G	78.8	Confident	83.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.			trans	173	-167.7	-178.4	0	0	0	0	0	114.4	I356 S357 R550 D590	I356-G552 WeakPolarHBondContact CG2-O 3.42Å; S357-G552 PolarHBondContact O-N 3.45Å; R550-G552 PolarHBondContact O-N 2.88Å; G552-D590 WeakPolarHBondContact CA-OD2 3.36Å
553	F	85.7	Confident	83.3	Confident	7 Å²	7	34 Å²	34	3%	0.031	17%	0.166	C	C	.	.			trans	-106.3	169.1	171.5	68.1	-109.8	0	0	0	112.4	V500 D557 V578 F580 D590 Y592	V500-F553 HydrophobicContact CG2-CB 4.11Å; F553-D557 HydrophobicContact CB-CB 3.89Å; F553-V578 HydrophobicContact CB-CG1 4.15Å; F553-V578 HydrophobicContact CB-CG2 4.39Å; F553-V578 HydrophobicContact CD1-CB 4.35Å; F553-V578 HydrophobicContact CD1-CG1 3.67Å; F553-V578 HydrophobicContact CD1-CG2 3.91Å; F553-V578 HydrophobicContact CD2-CG1 3.49Å; F553-V578 VanDerWaalsContact CD2-CG1 3.49Å; F553-V578 HydrophobicContact CE1-CB 4.44Å; F553-V578 HydrophobicContact CE1-CG1 3.77Å; F553-V578 HydrophobicContact CE1-CG2 4.36Å; F553-V578 HydrophobicContact CE2-CG1 3.65Å; F553-V578 HydrophobicContact CG-CG1 3.52Å; F553-V578 HydrophobicContact CG-CG2 4.23Å; F553-V578 HydrophobicContact CZ-CG1 3.78Å; F553-F580 WeakPolarHBondContact CZ-O 3.34Å; F553-D590 HydrophobicContact CD1-CB 3.78Å; F553-D590 HydrophobicContact CE1-CB 3.47Å; F553-D590 VanDerWaalsContact CE1-CB 3.47Å; F553-D590 HydrophobicContact CZ-CB 4.09Å; F553-D590 PolarHBondContact N-OD2 2.63Å; F553-Y592 AromaticContact CD1-CE1 3.79Å; F553-Y592 HydrophobicContact CD1-CE1 3.79Å; F553-Y592 HydrophobicContact CD1-CE2 4.19Å; F553-Y592 AromaticContact CD1-CZ 3.58Å; F553-Y592 HydrophobicContact CE1-CD1 4.27Å; F553-Y592 HydrophobicContact CE1-CD2 4.28Å; F553-Y592 AromaticContact CE1-CE1 3.86Å; F553-Y592 HydrophobicContact CE1-CE1 3.86Å; F553-Y592 AromaticContact CE1-CE2 3.82Å; F553-Y592 HydrophobicContact CE1-CE2 3.82Å; F553-Y592 HydrophobicContact CE1-CG 4.49Å; F553-Y592 AromaticContact CE1-CZ 3.64Å
554	C	80.1	Confident	83.4	Confident	4 Å²	4	32.6 Å²	32.6	3%	0.027	16%	0.159	C	C	.	.			trans	-144	-165.6	169.8	-159	0	0	0	0	112.3	Q505 H508 G556 D557 C585	Q505-C554 HydrophobicContact CB-CB 4.28Å; Q505-C554 WeakPolarHBondContact O-CB 3.27Å; H508-C554 PolarHBondContact N-SG 3.45Å; C554-G556 PolarHBondContact O-N 3.29Å; C554-D557 PolarHBondContact N-OD2 2.95Å; C554-D557 PolarHBondContact O-N 2.9Å; C554-C585 WeakPolarHBondContact CA-SG 3.13Å; C554-C585 HydrophobicContact CB-CB 3.64Å; C554-C585 WeakPolarHBondContact CB-SG 3.46Å; C554-C585 WeakPolarHBondContact SG-CB 3.46Å; C554-C585 CovalentContact SG-SG 2.04Å; C554-C585 PolarHBondContact SG-SG 3.16Å
555	H	76.8	Confident	83.3	Confident	90 Å²	90	34.9 Å²	34.9	42%	0.417	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	131.8	179.4	-59	-69.4	0	0	0	111	G504 Q505 H508 Y513	G504-H555 CarbonylContact C-O 3.58Å; G504-H555 VanDerWaalsContact CA-O 3.3Å; G504-H555 WeakPolarHBondContact CA-O 3.47Å; Q505-H555 HydrophobicContact CG-CB 4.33Å; Q505-H555 PolarHBondContact N-O 3.09Å; Q505-H555 PolarHBondContact OE1-CD2 2.86Å; H508-H555 AromaticContact CD2-NE2 3.63Å; H508-H555 AromaticContact NE2-NE2 3.91Å; Y513-H555 WeakPolarHBondContact CE1-O 3.47Å
556	G	77.7	Confident	82.9	Confident	9 Å²	9	40.3 Å²	40.3	9%	0.093	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.3	-18.4	-177.2	0	0	0	0	0	115	C554 S558	C554-G556 PolarHBondContact O-N 3.29Å; G556-S558 VanDerWaalsContact C-N 3.26Å
557	D	87.4	Confident	82.7	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.011	20%	0.198	C	C	.	.			trans	-82.1	-7.3	171.8	-58.8	-50.3	0	0	0	112.7	G502 G504 F553 C554 G559 S560 V578	G502-D557 VanDerWaalsContact CA-OD1 3.28Å; G502-D557 WeakPolarHBondContact CA-OD1 3.22Å; G504-D557 WeakPolarHBondContact CA-OD1 3.5Å; G504-D557 PolarHBondContact N-OD1 2.85Å; F553-D557 HydrophobicContact CB-CB 3.89Å; C554-D557 PolarHBondContact N-OD2 2.95Å; C554-D557 PolarHBondContact O-N 2.9Å; D557-G559 PolarHBondContact O-N 3.34Å; D557-S560 WeakPolarHBondContact O-CB 3.31Å; D557-S560 PolarHBondContact O-N 3.24Å; D557-S560 PolarHBondContact O-OG 3.36Å; D557-V578 HydrophobicContact CB-CG1 4.29Å; D557-V578 VanDerWaalsContact O-CB 3.29Å; D557-V578 WeakPolarHBondContact O-CB 3.29Å; D557-V578 WeakPolarHBondContact O-CG1 3.35Å
558	S	90.4	Very high	82.8	Confident	22 Å²	22	47.5 Å²	47.5	15%	0.154	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.9	127.9	174	-73.3	0	0	0	0	112.5	C387 G388 H408 C409 G556 S560	C387-S558 CarbonylContact C-O 3.56Å; C387-S558 WeakPolarHBondContact CA-O 3.41Å; C387-S558 WeakPolarHBondContact CB-O 3.49Å; C387-S558 PolarHBondContact SG-O 3.46Å; G388-S558 PolarHBondContact N-O 2.75Å; H408-S558 PolarHBondContact CE1-OG 3.14Å; H408-S558 WeakPolarHBondContact NE2-CB 3.09Å; H408-S558 PolarHBondContact NE2-OG 3.17Å; C409-S558 PolarHBondContact SG-O 2.84Å; C409-S558 VanDerWaalsContact SG-O 3.35Å; G556-S558 VanDerWaalsContact C-N 3.26Å; S558-S560 VanDerWaalsContact C-N 3.32Å; S558-S560 PolarHBondContact O-N 2.66Å
559	G	93.9	Very high	83.6	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.01	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-14.1	-178.7	0	0	0	0	0	116	G388 G389 T405 D557 V578	G388-G559 VanDerWaalsContact C-C 3.46Å; G388-G559 CarbonylContact C-O 3.57Å; G388-G559 CarbonylContact O-C 3.53Å; G388-G559 WeakPolarHBondContact O-CA 3.06Å; G389-G559 WeakPolarHBondContact CA-O 3.27Å; T405-G559 WeakPolarHBondContact OG1-CA 3.48Å; D557-G559 PolarHBondContact O-N 3.34Å; G559-V578 PolarHBondContact N-O 2.99Å
560	S	94.4	Very high	84.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.			trans	-60.8	149.8	172.1	-79.5	0	0	0	0	112.2	A501 D557 S558 V578	A501-S560 WeakPolarHBondContact O-CB 3.46Å; A501-S560 PolarHBondContact O-OG 3.34Å; D557-S560 WeakPolarHBondContact O-CB 3.31Å; D557-S560 PolarHBondContact O-N 3.24Å; D557-S560 PolarHBondContact O-OG 3.36Å; S558-S560 VanDerWaalsContact C-N 3.32Å; S558-S560 PolarHBondContact O-N 2.66Å; S560-V578 WeakPolarHBondContact O-CG2 3.44Å; S560-V578 PolarHBondContact O-N 3.14Å
561	P	96.5	Very high	86.1	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.032	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	140.3	176	32.4	-35.7	0	0	0	112.1	A390 V563 A574 G576	A390-P561 HydrophobicContact CB-CB 3.9Å; A390-P561 HydrophobicContact CB-CG 3.78Å; P561-V563 HydrophobicContact CB-CG1 3.79Å; P561-V563 HydrophobicContact CG-CG1 4Å; P561-A574 HydrophobicContact CB-CB 4.02Å; P561-G576 CarbonylContact C-O 3.55Å; P561-G576 WeakPolarHBondContact CA-O 3.39Å
562	L	95.9	Very high	87.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	108.7	157.2	179.2	70.2	0	0	0	107.6	C498 I499 V500 V522 I524 T545 Y575 G576 Y592	C498-L562 HydrophobicContact CB-CD1 3.63Å; C498-L562 HydrophobicContact CB-CG 4.04Å; I499-L562 WeakPolarHBondContact O-CA 3.5Å; V500-L562 HydrophobicContact CB-CD1 4.43Å; V522-L562 HydrophobicContact CG2-CD1 3.56Å; I524-L562 HydrophobicContact CD1-CD2 4.12Å; T545-L562 HydrophobicContact CG2-CD1 4.14Å; T545-L562 HydrophobicContact CG2-CD2 3.66Å; L562-Y575 PolarHBondContact O-N 3.42Å; L562-G576 PolarHBondContact N-O 3.45Å; L562-G576 PolarHBondContact O-N 2.84Å; L562-Y592 HydrophobicContact CB-CD1 3.65Å; L562-Y592 HydrophobicContact CB-CE1 3.71Å; L562-Y592 HydrophobicContact CB-CG 4.36Å; L562-Y592 HydrophobicContact CD1-CE1 3.91Å; L562-Y592 HydrophobicContact CD2-CD1 4.11Å; L562-Y592 HydrophobicContact CD2-CD2 4.15Å; L562-Y592 HydrophobicContact CD2-CE1 4.21Å; L562-Y592 HydrophobicContact CD2-CE2 4.3Å; L562-Y592 HydrophobicContact CD2-CG 4.06Å; L562-Y592 HydrophobicContact CG-CD1 4.32Å; L562-Y592 HydrophobicContact CG-CE1 4.16Å
563	V	95.8	Very high	88.3	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.8	-176.8	-56.9	0	0	0	0	111.3	W369 V483 C498 I499 P561 W572 K573 A574	W369-V563 HydrophobicContact CZ2-CG2 4.42Å; V483-V563 HydrophobicContact CG2-CG1 3.81Å; C498-V563 CarbonylContact C-O 3.44Å; C498-V563 VanDerWaalsContact CA-O 3.3Å; C498-V563 WeakPolarHBondContact CA-O 3.19Å; C498-V563 WeakPolarHBondContact CB-O 3.43Å; I499-V563 HydrophobicContact CB-CG2 3.84Å; I499-V563 HydrophobicContact CG2-CG2 4.48Å; I499-V563 PolarHBondContact N-O 2.62Å; I499-V563 PolarHBondContact O-N 3.39Å; P561-V563 HydrophobicContact CB-CG1 3.79Å; P561-V563 HydrophobicContact CG-CG1 4Å; V563-W572 HydrophobicContact CB-CB 4.48Å; V563-W572 HydrophobicContact CB-CE3 4.1Å; V563-W572 HydrophobicContact CG2-CD2 4.43Å; V563-W572 HydrophobicContact CG2-CE3 3.82Å; V563-W572 HydrophobicContact CG2-CZ3 4.31Å; V563-K573 WeakPolarHBondContact CA-O 3.47Å; V563-A574 HydrophobicContact CG1-CB 4.36Å
564	C	94.7	Very high	88.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.5	-179.2	-42.7	0	0	0	0	109.7	L492 C498 K573 Y575	L492-C564 HydrophobicContact CD1-CB 4.15Å; L492-C564 VanDerWaalsContact CD1-SG 3.53Å; L492-C564 HydrophobicContact CD2-CB 4.46Å; C498-C564 HydrophobicContact CB-CB 4.05Å; C498-C564 WeakPolarHBondContact CB-SG 3.08Å; C498-C564 WeakPolarHBondContact SG-CB 3.32Å; C498-C564 CovalentContact SG-SG 2.04Å; C498-C564 PolarHBondContact SG-SG 2.72Å; C564-K573 PolarHBondContact N-O 3.08Å; C564-K573 PolarHBondContact O-N 3.33Å; C564-Y575 HydrophobicContact CB-CD2 3.75Å; C564-Y575 HydrophobicContact CB-CE2 4.09Å
565	R	90.3	Very high	89.6	Confident	51 Å²	51	37.7 Å²	37.7	19%	0.192	21%	0.209	C	C	.	.			trans	-131.7	142.3	172.3	66.7	179.7	-179	-154.5	-4.1	109.5	H496 K567 N568 W572	H496-R565 PolarHBondContact CE1-O 2.8Å; H496-R565 PolarHBondContact NE2-O 2.61Å; R565-K567 VanDerWaalsContact C-N 3.35Å; R565-K567 WeakPolarHBondContact CD-O 3.32Å; R565-K567 PolarHBondContact O-N 2.96Å; R565-N568 VanDerWaalsContact CZ-OD1 3.26Å; R565-N568 PolarHBondContact NE-OD1 2.85Å; R565-N568 PolarHBondContact NH2-OD1 2.86Å; R565-W572 HydrophobicContact CB-CD2 4.14Å; R565-W572 HydrophobicContact CB-CE3 4.06Å; R565-W572 HydrophobicContact CB-CZ3 4.34Å; R565-W572 HydrophobicContact CG-CD2 4.42Å; R565-W572 HydrophobicContact CG-CE3 4.26Å; R565-W572 HydrophobicContact CG-CH2 4.03Å; R565-W572 HydrophobicContact CG-CZ2 4.2Å; R565-W572 HydrophobicContact CG-CZ3 4.06Å
566	E	83.5	Confident	90.5	Very high	114 Å²	114	33.4 Å²	33.4	53%	0.533	19%	0.189	S	C	.	.	S	Bend	trans	-61.2	-42.8	-179.3	-68.4	157.5	-157	0	0	112.6	K573	E566-K573 IonicContact OE1-NZ 3.24Å; E566-K573 PolarHBondContact OE1-NZ 3.01Å
567	K	82.6	Confident	91.4	Very high	146 Å²	146	33 Å²	33	64%	0.635	19%	0.185	S	C	*	.	S	Bend	trans	-151.5	164.9	-179.8	56	-175.9	174.3	-171.1	0	110	R565 G569 S570	R565-K567 VanDerWaalsContact C-N 3.35Å; R565-K567 WeakPolarHBondContact CD-O 3.32Å; R565-K567 PolarHBondContact O-N 2.96Å; K567-G569 PolarHBondContact O-N 2.87Å; K567-S570 VanDerWaalsContact CG-OG 3.25Å; K567-S570 WeakPolarHBondContact CG-OG 3.44Å; K567-S570 WeakPolarHBondContact O-CB 3.27Å; K567-S570 PolarHBondContact O-N 2.72Å
568	N	76.8	Confident	91.8	Very high	137 Å²	137	33 Å²	33	73%	0.733	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	127	173.9	-67.8	-10.5	0	0	0	109.9	R565	R565-N568 VanDerWaalsContact CZ-OD1 3.26Å; R565-N568 PolarHBondContact NE-OD1 2.85Å; R565-N568 PolarHBondContact NH2-OD1 2.86Å
569	G	80	Confident	91.9	Very high	78 Å²	78	32 Å²	32	80%	0.804	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.5	-15.5	-175.6	0	0	0	0	0	115.6	K567	K567-G569 PolarHBondContact O-N 2.87Å
570	S	89.2	Confident	91.6	Very high	20 Å²	20	32.8 Å²	32.8	14%	0.14	18%	0.181	C	C	.	.	S	Bend	trans	-70.6	148.9	168.5	-71.8	0	0	0	0	111.1	K567	K567-S570 VanDerWaalsContact CG-OG 3.25Å; K567-S570 WeakPolarHBondContact CG-OG 3.44Å; K567-S570 WeakPolarHBondContact O-CB 3.27Å; K567-S570 PolarHBondContact O-N 2.72Å
571	P	92.2	Very high	90.7	Very high	61 Å²	61	34.2 Å²	34.2	40%	0.396	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-57.3	146.4	172.4	-24.3	34.4	0	0	0	112.9
572	W	95	Very high	89.3	Confident	8 Å²	8	36.3 Å²	36.3	3%	0.03	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-76.8	125.5	173	-67.4	94.1	0	0	0	111.1	G338 I346 M348 W369 V483 C484 I499 V563 R565	G338-W572 VanDerWaalsContact CA-O 3.24Å; G338-W572 WeakPolarHBondContact CA-O 3.33Å; G338-W572 VanDerWaalsContact O-CD1 3.27Å; G338-W572 PolarHBondContact O-N 2.86Å; I346-W572 HydrophobicContact CD1-CZ2 4.14Å; I346-W572 HydrophobicContact CG2-CZ2 4.33Å; M348-W572 HydrophobicContact CE-CH2 4.25Å; M348-W572 HydrophobicContact SD-CH2 3.77Å; M348-W572 HydrophobicContact SD-CZ2 4.19Å; W369-W572 HydrophobicContact CH2-CB 3.92Å; W369-W572 AromaticContact CH2-CD1 3.7Å; W369-W572 AromaticContact CH2-CG 3.91Å; W369-W572 HydrophobicContact CH2-CG 3.91Å; W369-W572 HydrophobicContact CZ2-CB 4.08Å; W369-W572 HydrophobicContact CZ2-CG 4.14Å; V483-W572 VanDerWaalsContact CG2-O 3.3Å; V483-W572 WeakPolarHBondContact CG2-O 3.48Å; C484-W572 PolarHBondContact N-O 2.85Å; C484-W572 VanDerWaalsContact N-O 3.15Å; I499-W572 HydrophobicContact CD1-CE3 4.48Å; I499-W572 HydrophobicContact CD1-CH2 3.33Å; I499-W572 HydrophobicContact CD1-CZ2 3.77Å; I499-W572 HydrophobicContact CD1-CZ3 3.74Å; I499-W572 HydrophobicContact CG1-CH2 3.89Å; I499-W572 HydrophobicContact CG1-CZ3 4.01Å; V563-W572 HydrophobicContact CB-CB 4.48Å; V563-W572 HydrophobicContact CB-CE3 4.1Å; V563-W572 HydrophobicContact CG2-CD2 4.43Å; V563-W572 HydrophobicContact CG2-CE3 3.82Å; V563-W572 HydrophobicContact CG2-CZ3 4.31Å; R565-W572 HydrophobicContact CB-CD2 4.14Å; R565-W572 HydrophobicContact CB-CE3 4.06Å; R565-W572 HydrophobicContact CB-CZ3 4.34Å; R565-W572 HydrophobicContact CG-CD2 4.42Å; R565-W572 HydrophobicContact CG-CE3 4.26Å; R565-W572 HydrophobicContact CG-CH2 4.03Å; R565-W572 HydrophobicContact CG-CZ2 4.2Å; R565-W572 HydrophobicContact CG-CZ3 4.06Å
573	K	96.1	Very high	87.7	Confident	37 Å²	37	43.1 Å²	43.1	16%	0.161	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.9	173.9	-64.5	176.8	177.7	-179	0	110.2	C484 E490 V563 C564 E566 Y575	C484-K573 HydrophobicContact CB-CG 4.04Å; C484-K573 CarbonylContact O-C 3.55Å; C484-K573 VanDerWaalsContact O-CA 3.28Å; C484-K573 WeakPolarHBondContact O-CA 3.43Å; E490-K573 IonicContact OE1-NZ 2.81Å; E490-K573 PolarHBondContact OE1-NZ 2.98Å; E490-K573 IonicContact OE2-NZ 3.19Å; E490-K573 PolarHBondContact OE2-NZ 2.04Å; V563-K573 WeakPolarHBondContact CA-O 3.47Å; C564-K573 PolarHBondContact N-O 3.08Å; C564-K573 PolarHBondContact O-N 3.33Å; E566-K573 IonicContact OE1-NZ 3.24Å; E566-K573 PolarHBondContact OE1-NZ 3.01Å; K573-Y575 HydrophobicContact CB-CD2 3.89Å; K573-Y575 HydrophobicContact CB-CE2 3.61Å; K573-Y575 HydrophobicContact CD-CE2 4Å; K573-Y575 HydrophobicContact CG-CE2 4.42Å; K573-Y575 PolarHBondContact O-N 2.8Å
574	A	96.6	Very high	86.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	97	173.9	0	0	0	0	0	110.6	M404 V483 C484 P486 P561 V563 V595	M404-A574 HydrophobicContact CE-CB 4.06Å; V483-A574 HydrophobicContact CB-CB 4.36Å; V483-A574 HydrophobicContact CG1-CB 3.55Å; V483-A574 HydrophobicContact CG2-CB 3.88Å; C484-A574 PolarHBondContact O-N 2.9Å; P486-A574 WeakPolarHBondContact CD-O 3.48Å; P561-A574 HydrophobicContact CB-CB 4.02Å; V563-A574 HydrophobicContact CG1-CB 4.36Å; A574-V595 WeakPolarHBondContact O-CB 3.04Å; A574-V595 WeakPolarHBondContact O-CG2 3.22Å
575	Y	96.4	Very high	85.2	Confident	8 Å²	8	47.7 Å²	47.7	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-28.1	-178.4	-82.5	-87.6	0	0	0	113.5	P486 E490 L492 L543 L562 C564 K573 V595	P486-Y575 HydrophobicContact CB-CD1 4.01Å; P486-Y575 HydrophobicContact CB-CE1 3.84Å; P486-Y575 HydrophobicContact CG-CD1 4.34Å; E490-Y575 HydrophobicContact CB-CE1 4.39Å; E490-Y575 HydrophobicContact CG-CE1 4.02Å; E490-Y575 PolarHBondContact OE1-OH 2.89Å; L492-Y575 HydrophobicContact CD1-CD1 3.8Å; L492-Y575 HydrophobicContact CD1-CD2 3.8Å; L492-Y575 HydrophobicContact CD1-CE1 4.2Å; L492-Y575 HydrophobicContact CD1-CE2 4.19Å; L492-Y575 HydrophobicContact CD1-CG 3.55Å; L492-Y575 HydrophobicContact CD2-CD1 4.36Å; L492-Y575 HydrophobicContact CD2-CD2 4.17Å; L492-Y575 HydrophobicContact CD2-CE1 3.92Å; L492-Y575 HydrophobicContact CD2-CE2 3.68Å; L492-Y575 HydrophobicContact CD2-CG 4.45Å; L492-Y575 HydrophobicContact CG-CD1 3.74Å; L492-Y575 HydrophobicContact CG-CD2 4.18Å; L492-Y575 HydrophobicContact CG-CE1 3.66Å; L492-Y575 HydrophobicContact CG-CE2 4.1Å; L492-Y575 HydrophobicContact CG-CG 3.97Å; L543-Y575 WeakPolarHBondContact CD1-O 3.33Å; L562-Y575 PolarHBondContact O-N 3.42Å; C564-Y575 HydrophobicContact CB-CD2 3.75Å; C564-Y575 HydrophobicContact CB-CE2 4.09Å; K573-Y575 HydrophobicContact CB-CD2 3.89Å; K573-Y575 HydrophobicContact CB-CE2 3.61Å; K573-Y575 HydrophobicContact CD-CE2 4Å; K573-Y575 HydrophobicContact CG-CE2 4.42Å; K573-Y575 PolarHBondContact O-N 2.8Å; Y575-V595 PolarHBondContact O-N 2.9Å
576	G	95.6	Very high	83.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	159.8	-178.4	0	0	0	0	0	113.2	P561 L562 T593	P561-G576 CarbonylContact C-O 3.55Å; P561-G576 WeakPolarHBondContact CA-O 3.39Å; L562-G576 PolarHBondContact N-O 3.45Å; L562-G576 PolarHBondContact O-N 2.84Å; G576-T593 CarbonylContact C-O 3.45Å; G576-T593 VanDerWaalsContact CA-O 3.28Å; G576-T593 WeakPolarHBondContact CA-O 3.21Å
577	I	97.1	Very high	83	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.3	167.4	-55.4	171.6	0	0	0	107.6	M404 A406 I465 S579 Y592 T593 V595	M404-I577 HydrophobicContact CE-CD1 4.29Å; M404-I577 HydrophobicContact CE-CG1 4.13Å; M404-I577 HydrophobicContact CG-CD1 3.65Å; M404-I577 HydrophobicContact CG-CG1 4.36Å; M404-I577 HydrophobicContact SD-CD1 3.88Å; M404-I577 HydrophobicContact SD-CG1 4.37Å; A406-I577 HydrophobicContact CB-CG2 3.97Å; I465-I577 HydrophobicContact CB-CD1 4.15Å; I465-I577 HydrophobicContact CD1-CD1 3.71Å; I465-I577 HydrophobicContact CG1-CD1 3.57Å; I577-S579 PolarHBondContact O-N 3.06Å; I577-S579 VanDerWaalsContact O-N 3.14Å; I577-Y592 CarbonylContact O-C 3.59Å; I577-Y592 WeakPolarHBondContact O-CA 3.39Å; I577-Y592 WeakPolarHBondContact O-CB 3.3Å; I577-T593 PolarHBondContact N-O 3.29Å; I577-T593 PolarHBondContact O-N 2.87Å; I577-V595 HydrophobicContact CD1-CG2 4.2Å; I577-V595 HydrophobicContact CG1-CG2 3.78Å
578	V	94.5	Very high	82.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	117.1	178.6	173.8	0	0	0	0	110	V500 F553 D557 G559 S560 Y592	V500-V578 HydrophobicContact CG2-CG2 3.58Å; F553-V578 HydrophobicContact CB-CG1 4.15Å; F553-V578 HydrophobicContact CB-CG2 4.39Å; F553-V578 HydrophobicContact CD1-CB 4.35Å; F553-V578 HydrophobicContact CD1-CG1 3.67Å; F553-V578 HydrophobicContact CD1-CG2 3.91Å; F553-V578 HydrophobicContact CD2-CG1 3.49Å; F553-V578 VanDerWaalsContact CD2-CG1 3.49Å; F553-V578 HydrophobicContact CE1-CB 4.44Å; F553-V578 HydrophobicContact CE1-CG1 3.77Å; F553-V578 HydrophobicContact CE1-CG2 4.36Å; F553-V578 HydrophobicContact CE2-CG1 3.65Å; F553-V578 HydrophobicContact CG-CG1 3.52Å; F553-V578 HydrophobicContact CG-CG2 4.23Å; F553-V578 HydrophobicContact CZ-CG1 3.78Å; D557-V578 HydrophobicContact CB-CG1 4.29Å; D557-V578 VanDerWaalsContact O-CB 3.29Å; D557-V578 WeakPolarHBondContact O-CB 3.29Å; D557-V578 WeakPolarHBondContact O-CG1 3.35Å; G559-V578 PolarHBondContact N-O 2.99Å; S560-V578 WeakPolarHBondContact O-CG2 3.44Å; S560-V578 PolarHBondContact O-N 3.14Å; V578-Y592 HydrophobicContact CB-CD1 4.44Å; V578-Y592 HydrophobicContact CG2-CD1 3.9Å; V578-Y592 HydrophobicContact CG2-CE1 3.62Å
579	S	91.9	Very high	83.1	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-58.9	-168.9	-178.5	0	0	0	0	113.2	H408 R461 D464 I577 K591	H408-S579 PolarHBondContact CE1-O 2.78Å; H408-S579 VanDerWaalsContact CE1-O 3.24Å; R461-S579 PolarHBondContact NH1-O 3.04Å; D464-S579 WeakPolarHBondContact CB-OG 3.47Å; D464-S579 WeakPolarHBondContact OD2-CB 3.38Å; D464-S579 PolarHBondContact OD2-OG 3.47Å; I577-S579 PolarHBondContact O-N 3.06Å; I577-S579 VanDerWaalsContact O-N 3.14Å; S579-K591 PolarHBondContact N-O 2.95Å
580	F	87.6	Confident	83.5	Confident	18 Å²	18	30.7 Å²	30.7	8%	0.079	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	154.1	175.8	62.7	-82.1	0	0	0	113.3	R461 I537 F553 K591	R461-F580 HydrophobicContact CB-CD1 4.05Å; R461-F580 HydrophobicContact CB-CE1 4.23Å; R461-F580 HydrophobicContact CG-CD1 4.28Å; I537-F580 HydrophobicContact CG2-CE2 4.38Å; I537-F580 HydrophobicContact CG2-CZ 3.89Å; F553-F580 WeakPolarHBondContact CZ-O 3.34Å; F580-K591 HydrophobicContact CD2-CB 4.44Å; F580-K591 HydrophobicContact CD2-CD 3.96Å; F580-K591 HydrophobicContact CE1-CB 4.41Å; F580-K591 HydrophobicContact CE2-CB 4.29Å; F580-K591 HydrophobicContact CE2-CD 3.84Å; F580-K591 HydrophobicContact CE2-CG 4.3Å; F580-K591 HydrophobicContact CZ-CB 4.28Å; F580-K591 PolarHBondContact N-O 2.79Å; F580-K591 WeakPolarHBondContact O-CA 3.46Å; F580-K591 VanDerWaalsContact O-CB 3.22Å; F580-K591 WeakPolarHBondContact O-CB 3.45Å; F580-K591 WeakPolarHBondContact O-CD 3.46Å; F580-K591 PolarHBondContact O-N 3.25Å
581	S	76.7	Confident	83.7	Confident	30 Å²	30	29.8 Å²	29.8	21%	0.21	16%	0.158	C	C	.	.			trans	-120.5	168.8	166.1	51.5	0	0	0	0	109.1	D590	S581-D590 WeakPolarHBondContact CB-OD1 3.47Å
582	S	67	Low	83.8	Confident	48 Å²	48	26.9 Å²	26.9	34%	0.336	14%	0.139	S	C	.	.	S	Bend	trans	-70.8	173.8	168.5	89	0	0	0	0	110.1	K584 T588	S582-K584 CarbonylContact O-C 3.21Å; S582-K584 PolarHBondContact O-N 2.98Å; S582-T588 WeakPolarHBondContact CB-OG1 3.47Å; S582-T588 WeakPolarHBondContact OG-CB 3.04Å; S582-T588 WeakPolarHBondContact OG-CG2 3.45Å; S582-T588 PolarHBondContact OG-OG1 2.79Å
583	N	61.8	Low	83.8	Confident	144 Å²	144	26.8 Å²	26.8	77%	0.77	14%	0.139	S	C	*	.	S	Bend	trans	-48.8	-0.4	-168.1	-61.1	-10.7	0	0	0	119	H508	H508-N583 PolarHBondContact CD2-O 3.1Å; H508-N583 PolarHBondContact NE2-O 3.48Å; H508-N583 VanDerWaalsContact NE2-O 3.17Å
584	K	68.5	Low	83.7	Confident	94 Å²	94	25.6 Å²	25.6	41%	0.409	13%	0.134	S	C	.	.	S	Bend	trans	-143.6	119.3	169.5	-63.3	179.9	-179.1	168	0	110.1	S582 S586 F587	S582-K584 CarbonylContact O-C 3.21Å; S582-K584 PolarHBondContact O-N 2.98Å; K584-S586 PolarHBondContact O-N 2.72Å; K584-F587 HydrophobicContact CB-CB 4.04Å; K584-F587 HydrophobicContact CB-CD2 3.55Å; K584-F587 HydrophobicContact CB-CE2 4.27Å; K584-F587 HydrophobicContact CB-CG 4.01Å; K584-F587 HydrophobicContact CD-CD2 4.26Å; K584-F587 HydrophobicContact CD-CE2 4.42Å; K584-F587 HydrophobicContact CD-CG 4.45Å; K584-F587 HydrophobicContact CG-CD2 4.5Å; K584-F587 PolarHBondContact O-N 2.73Å
585	C	69.2	Low	83.7	Confident	4 Å²	4	25.6 Å²	25.6	3%	0.027	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	127.5	173.3	-54.7	0	0	0	0	111.2	H508 C554 F587	H508-C585 HydrophobicContact CB-CB 4.28Å; C554-C585 WeakPolarHBondContact CA-SG 3.13Å; C554-C585 HydrophobicContact CB-CB 3.64Å; C554-C585 WeakPolarHBondContact CB-SG 3.46Å; C554-C585 WeakPolarHBondContact SG-CB 3.46Å; C554-C585 CovalentContact SG-SG 2.04Å; C554-C585 PolarHBondContact SG-SG 3.16Å; C585-F587 WeakPolarHBondContact O-CD2 3.4Å; C585-F587 PolarHBondContact O-N 3.33Å; C585-F587 VanDerWaalsContact O-N 3.13Å
586	S	60.3	Low	83.6	Confident	11 Å²	11	25.3 Å²	25.3	8%	0.077	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	16.3	170.6	-24.9	0	0	0	0	116.8	S357 R550 K584	S357-S586 WeakPolarHBondContact CB-OG 3.36Å; S357-S586 PolarHBondContact OG-OG 3.05Å; S357-S586 VanDerWaalsContact OG-OG 3.1Å; R550-S586 WeakPolarHBondContact CB-O 3.49Å; R550-S586 WeakPolarHBondContact CG-O 3.48Å; R550-S586 WeakPolarHBondContact O-CB 3.41Å; R550-S586 PolarHBondContact O-OG 3.01Å; K584-S586 PolarHBondContact O-N 2.72Å
587	F	66.9	Low	83.6	Confident	107 Å²	107	28.3 Å²	28.3	47%	0.469	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-17.8	165.2	-81	-98.1	0	0	0	113.1	K584 C585	K584-F587 HydrophobicContact CB-CB 4.04Å; K584-F587 HydrophobicContact CB-CD2 3.55Å; K584-F587 HydrophobicContact CB-CE2 4.27Å; K584-F587 HydrophobicContact CB-CG 4.01Å; K584-F587 HydrophobicContact CD-CD2 4.26Å; K584-F587 HydrophobicContact CD-CE2 4.42Å; K584-F587 HydrophobicContact CD-CG 4.45Å; K584-F587 HydrophobicContact CG-CD2 4.5Å; K584-F587 PolarHBondContact O-N 2.73Å; C585-F587 WeakPolarHBondContact O-CD2 3.4Å; C585-F587 PolarHBondContact O-N 3.33Å; C585-F587 VanDerWaalsContact O-N 3.13Å
588	T	75.4	Confident	83.5	Confident	37 Å²	37	29 Å²	29	23%	0.227	16%	0.157	C	C	.	.	S	Bend	trans	-130.8	177.7	-177.9	55.2	0	0	0	0	109.6	E533 S582 D590	E533-T588 WeakPolarHBondContact OE1-CA 3.34Å; E533-T588 WeakPolarHBondContact OE1-CB 3.24Å; E533-T588 WeakPolarHBondContact OE2-CB 3.33Å; S582-T588 WeakPolarHBondContact CB-OG1 3.47Å; S582-T588 WeakPolarHBondContact OG-CB 3.04Å; S582-T588 WeakPolarHBondContact OG-CG2 3.45Å; S582-T588 PolarHBondContact OG-OG1 2.79Å; T588-D590 PolarHBondContact O-N 3.44Å
589	F	87.5	Confident	83.5	Confident	11 Å²	11	30.5 Å²	30.5	5%	0.048	16%	0.163	C	C	.	.			trans	-61.2	139.1	170.6	-53.5	-62.9	0	0	0	111	V525 E529 C530 E533 C544 T545 K546 K591	V525-F589 HydrophobicContact CB-CD1 4.18Å; V525-F589 HydrophobicContact CB-CE1 4.24Å; V525-F589 HydrophobicContact CG1-CD1 3.81Å; V525-F589 HydrophobicContact CG1-CE1 3.52Å; V525-F589 HydrophobicContact CG1-CE2 4.38Å; V525-F589 HydrophobicContact CG1-CG 4.34Å; V525-F589 HydrophobicContact CG1-CZ 3.87Å; V525-F589 HydrophobicContact CG2-CD1 3.75Å; V525-F589 HydrophobicContact CG2-CE1 3.79Å; E529-F589 HydrophobicContact CB-CZ 4.45Å; E529-F589 HydrophobicContact CG-CE2 3.98Å; E529-F589 HydrophobicContact CG-CZ 3.69Å; E529-F589 WeakPolarHBondContact O-CE2 3.37Å; E529-F589 WeakPolarHBondContact OE1-CZ 3.23Å; C530-F589 HydrophobicContact CB-CD2 4.22Å; E533-F589 HydrophobicContact CG-CD2 3.68Å; E533-F589 HydrophobicContact CG-CE2 3.9Å; E533-F589 VanDerWaalsContact OE1-CD2 3.27Å; E533-F589 WeakPolarHBondContact OE1-CD2 3.21Å; E533-F589 PolarHBondContact OE1-N 3.47Å; E533-F589 WeakPolarHBondContact OE2-CB 3.48Å; E533-F589 VanDerWaalsContact OE2-CD2 3.24Å; E533-F589 WeakPolarHBondContact OE2-CD2 2.94Å; E533-F589 PolarHBondContact OE2-N 3.43Å; C544-F589 HydrophobicContact CB-CB 4.26Å; T545-F589 WeakPolarHBondContact O-CA 3.15Å; K546-F589 HydrophobicContact CB-CD1 4.03Å; K546-F589 HydrophobicContact CB-CE1 4.28Å; K546-F589 HydrophobicContact CD-CD1 4.11Å; K546-F589 HydrophobicContact CD-CE1 3.71Å; K546-F589 HydrophobicContact CG-CD1 4.49Å; F589-K591 PolarHBondContact O-NZ 3.1Å
590	D	88.8	Confident	83.6	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.6	173.6	-83.3	-10.2	0	0	0	108.6	C544 T545 G552 F553 S581 T588 Y592	C544-D590 CarbonylContact C-O 3.52Å; C544-D590 VanDerWaalsContact CA-O 3.25Å; C544-D590 WeakPolarHBondContact CA-O 3.26Å; T545-D590 PolarHBondContact N-O 3.48Å; T545-D590 PolarHBondContact O-N 2.75Å; G552-D590 WeakPolarHBondContact CA-OD2 3.36Å; F553-D590 HydrophobicContact CD1-CB 3.78Å; F553-D590 HydrophobicContact CE1-CB 3.47Å; F553-D590 VanDerWaalsContact CE1-CB 3.47Å; F553-D590 HydrophobicContact CZ-CB 4.09Å; F553-D590 PolarHBondContact N-OD2 2.63Å; S581-D590 WeakPolarHBondContact CB-OD1 3.47Å; T588-D590 PolarHBondContact O-N 3.44Å; D590-Y592 HydrophobicContact CB-CE2 3.8Å; D590-Y592 WeakPolarHBondContact O-CD2 3.38Å; D590-Y592 WeakPolarHBondContact O-CE2 3.42Å
591	K	91.7	Very high	84	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.5	-174.6	-55.1	102.6	170.6	71.9	0	112.3	E533 V542 S579 F580 F589	E533-K591 IonicContact OE2-NZ 2.75Å; E533-K591 PolarHBondContact OE2-NZ 2.86Å; V542-K591 HydrophobicContact CG1-CB 3.82Å; V542-K591 HydrophobicContact CG1-CG 4.25Å; S579-K591 PolarHBondContact N-O 2.95Å; F580-K591 HydrophobicContact CD2-CB 4.44Å; F580-K591 HydrophobicContact CD2-CD 3.96Å; F580-K591 HydrophobicContact CE1-CB 4.41Å; F580-K591 HydrophobicContact CE2-CB 4.29Å; F580-K591 HydrophobicContact CE2-CD 3.84Å; F580-K591 HydrophobicContact CE2-CG 4.3Å; F580-K591 HydrophobicContact CZ-CB 4.28Å; F580-K591 PolarHBondContact N-O 2.79Å; F580-K591 WeakPolarHBondContact O-CA 3.46Å; F580-K591 VanDerWaalsContact O-CB 3.22Å; F580-K591 WeakPolarHBondContact O-CB 3.45Å; F580-K591 WeakPolarHBondContact O-CD 3.46Å; F580-K591 PolarHBondContact O-N 3.25Å; F589-K591 PolarHBondContact O-NZ 3.1Å
592	Y	94.3	Very high	84.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144	-172.5	-55	-107.8	0	0	0	110.4	V500 V542 L543 T545 F553 L562 I577 V578 D590 N594	V500-Y592 HydrophobicContact CB-CE1 4.44Å; V500-Y592 HydrophobicContact CG2-CE1 4.1Å; V542-Y592 CarbonylContact C-O 3.55Å; V542-Y592 VanDerWaalsContact CA-O 3.31Å; V542-Y592 WeakPolarHBondContact CA-O 3.33Å; L543-Y592 PolarHBondContact N-O 3.11Å; L543-Y592 PolarHBondContact O-N 2.71Å; T545-Y592 HydrophobicContact CG2-CD2 4.04Å; T545-Y592 HydrophobicContact CG2-CE2 3.5Å; T545-Y592 VanDerWaalsContact CG2-CE2 3.5Å; T545-Y592 VanDerWaalsContact OG1-CE2 3.24Å; T545-Y592 WeakPolarHBondContact OG1-CE2 2.93Å; T545-Y592 PolarHBondContact OG1-OH 3.11Å; F553-Y592 AromaticContact CD1-CE1 3.79Å; F553-Y592 HydrophobicContact CD1-CE1 3.79Å; F553-Y592 HydrophobicContact CD1-CE2 4.19Å; F553-Y592 AromaticContact CD1-CZ 3.58Å; F553-Y592 HydrophobicContact CE1-CD1 4.27Å; F553-Y592 HydrophobicContact CE1-CD2 4.28Å; F553-Y592 AromaticContact CE1-CE1 3.86Å; F553-Y592 HydrophobicContact CE1-CE1 3.86Å; F553-Y592 AromaticContact CE1-CE2 3.82Å; F553-Y592 HydrophobicContact CE1-CE2 3.82Å; F553-Y592 HydrophobicContact CE1-CG 4.49Å; F553-Y592 AromaticContact CE1-CZ 3.64Å; L562-Y592 HydrophobicContact CB-CD1 3.65Å; L562-Y592 HydrophobicContact CB-CE1 3.71Å; L562-Y592 HydrophobicContact CB-CG 4.36Å; L562-Y592 HydrophobicContact CD1-CE1 3.91Å; L562-Y592 HydrophobicContact CD2-CD1 4.11Å; L562-Y592 HydrophobicContact CD2-CD2 4.15Å; L562-Y592 HydrophobicContact CD2-CE1 4.21Å; L562-Y592 HydrophobicContact CD2-CE2 4.3Å; L562-Y592 HydrophobicContact CD2-CG 4.06Å; L562-Y592 HydrophobicContact CG-CD1 4.32Å; L562-Y592 HydrophobicContact CG-CE1 4.16Å; I577-Y592 CarbonylContact O-C 3.59Å; I577-Y592 WeakPolarHBondContact O-CA 3.39Å; I577-Y592 WeakPolarHBondContact O-CB 3.3Å; V578-Y592 HydrophobicContact CB-CD1 4.44Å; V578-Y592 HydrophobicContact CG2-CD1 3.9Å; V578-Y592 HydrophobicContact CG2-CE1 3.62Å; D590-Y592 HydrophobicContact CB-CE2 3.8Å; D590-Y592 WeakPolarHBondContact O-CD2 3.38Å; D590-Y592 WeakPolarHBondContact O-CE2 3.42Å; Y592-N594 PolarHBondContact O-N 3.37Å
593	T	95.2	Very high	86.2	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.9	172.7	-50.1	0	0	0	0	110	D464 I465 G576 I577 V595 Y598	D464-T593 PolarHBondContact O-OG1 3.39Å; I465-T593 HydrophobicContact CB-CG2 4.34Å; G576-T593 CarbonylContact C-O 3.45Å; G576-T593 VanDerWaalsContact CA-O 3.28Å; G576-T593 WeakPolarHBondContact CA-O 3.21Å; I577-T593 PolarHBondContact N-O 3.29Å; I577-T593 PolarHBondContact O-N 2.87Å; T593-V595 PolarHBondContact O-N 3.34Å; T593-Y598 HydrophobicContact CG2-CD2 3.8Å; T593-Y598 HydrophobicContact CG2-CE2 3.4Å
594	N	95.1	Very high	87.8	Confident	12 Å²	12	33.9 Å²	33.9	6%	0.064	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	105.5	-174.9	-178.7	23.2	0	0	0	112.3	G540 E541 L543 Y592 S596 S597 Y598	G540-N594 VanDerWaalsContact O-CB 3.23Å; G540-N594 WeakPolarHBondContact O-CB 3.42Å; G540-N594 PolarHBondContact O-ND2 3.15Å; E541-N594 PolarHBondContact O-N 3.41Å; L543-N594 HydrophobicContact CD1-CB 4.49Å; L543-N594 HydrophobicContact CD2-CB 4.39Å; L543-N594 HydrophobicContact CG-CB 3.88Å; Y592-N594 PolarHBondContact O-N 3.37Å; N594-S596 VanDerWaalsContact C-N 3.31Å; N594-S596 PolarHBondContact ND2-OG 2.78Å; N594-S596 PolarHBondContact O-N 2.85Å; N594-S596 PolarHBondContact OD1-OG 2.88Å; N594-S597 PolarHBondContact ND2-OG 2.69Å; N594-S597 VanDerWaalsContact ND2-OG 3.13Å; N594-S597 PolarHBondContact O-N 2.74Å; N594-Y598 VanDerWaalsContact O-CD2 3.22Å; N594-Y598 WeakPolarHBondContact O-CD2 3.33Å
595	V	96.5	Very high	89	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-34.1	-173.8	179.5	0	0	0	0	112.4	M404 L485 P486 A574 Y575 I577 T593 S597 Y598 R599	M404-V595 HydrophobicContact CE-CG1 4.06Å; M404-V595 HydrophobicContact CE-CG2 3.75Å; M404-V595 HydrophobicContact SD-CG1 3.93Å; M404-V595 HydrophobicContact SD-CG2 4.1Å; L485-V595 HydrophobicContact CD2-CG1 3.93Å; P486-V595 HydrophobicContact CG-CB 4.12Å; P486-V595 HydrophobicContact CG-CG1 3.99Å; A574-V595 WeakPolarHBondContact O-CB 3.04Å; A574-V595 WeakPolarHBondContact O-CG2 3.22Å; Y575-V595 PolarHBondContact O-N 2.9Å; I577-V595 HydrophobicContact CD1-CG2 4.2Å; I577-V595 HydrophobicContact CG1-CG2 3.78Å; T593-V595 PolarHBondContact O-N 3.34Å; V595-S597 PolarHBondContact O-N 3.27Å; V595-Y598 CarbonylContact O-C 3.33Å; V595-Y598 PolarHBondContact O-N 3.38Å; V595-Y598 VanDerWaalsContact O-N 3.08Å; V595-R599 PolarHBondContact O-N 2.84Å; V595-R599 VanDerWaalsContact O-N 3.08Å
596	S	94.7	Very high	90.1	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-24.9	-178	69.2	0	0	0	0	113.3	E487 A489 E490 N594	E487-S596 WeakPolarHBondContact O-CB 3.43Å; A489-S596 PolarHBondContact N-O 3.33Å; E490-S596 VanDerWaalsContact O-CB 3.32Å; E490-S596 WeakPolarHBondContact O-CB 3.4Å; E490-S596 PolarHBondContact O-OG 2.65Å; N594-S596 VanDerWaalsContact C-N 3.31Å; N594-S596 PolarHBondContact ND2-OG 2.78Å; N594-S596 PolarHBondContact O-N 2.85Å; N594-S596 PolarHBondContact OD1-OG 2.88Å
597	S	94.3	Very high	91.5	Very high	62 Å²	62	37.1 Å²	37.1	43%	0.434	18%	0.178	S	C	.	.	H	α-helix	trans	-78.6	-29.3	173.9	-69.7	0	0	0	0	113.5	G540 N594 V595	G540-S597 WeakPolarHBondContact O-CB 3.26Å; G540-S597 PolarHBondContact O-OG 2.81Å; N594-S597 PolarHBondContact ND2-OG 2.69Å; N594-S597 VanDerWaalsContact ND2-OG 3.13Å; N594-S597 PolarHBondContact O-N 2.74Å; V595-S597 PolarHBondContact O-N 3.27Å
598	Y	95.3	Very high	92.7	Very high	15 Å²	15	39.2 Å²	39.2	6%	0.059	19%	0.187	C	C	.	.	H	α-helix	trans	-93.9	3.1	177	-61.7	-81.5	0	0	0	113.4	H450 N463 I465 T593 N594 V595 K600 W601 V602	H450-Y598 AromaticContact CD2-CD1 3.91Å; H450-Y598 AromaticContact NE2-CD1 3.98Å; H450-Y598 AromaticContact NE2-CE1 3.94Å; N463-Y598 WeakPolarHBondContact CA-OH 3.23Å; N463-Y598 HydrophobicContact CB-CE1 4.27Å; N463-Y598 WeakPolarHBondContact OD1-CE1 3.35Å; N463-Y598 PolarHBondContact OD1-OH 3.12Å; I465-Y598 HydrophobicContact CD1-CG 4.25Å; I465-Y598 HydrophobicContact CG2-CD1 3.86Å; I465-Y598 HydrophobicContact CG2-CD2 4.44Å; I465-Y598 HydrophobicContact CG2-CE1 4.26Å; I465-Y598 HydrophobicContact CG2-CG 3.97Å; T593-Y598 HydrophobicContact CG2-CD2 3.8Å; T593-Y598 HydrophobicContact CG2-CE2 3.4Å; N594-Y598 VanDerWaalsContact O-CD2 3.22Å; N594-Y598 WeakPolarHBondContact O-CD2 3.33Å; V595-Y598 CarbonylContact O-C 3.33Å; V595-Y598 PolarHBondContact O-N 3.38Å; V595-Y598 VanDerWaalsContact O-N 3.08Å; Y598-K600 VanDerWaalsContact C-N 3.34Å; Y598-K600 PolarHBondContact O-N 3.45Å; Y598-W601 WeakPolarHBondContact O-CA 3.14Å; Y598-W601 WeakPolarHBondContact O-CB 3.48Å; Y598-W601 PolarHBondContact O-N 3.41Å; Y598-V602 PolarHBondContact O-N 3.42Å
599	R	94.8	Very high	93.4	Very high	33 Å²	33	38.1 Å²	38.1	13%	0.125	18%	0.179	C	C	.	.	H	α-helix	trans	-52.1	-48.3	-173	-178.7	59.4	-162.8	-91.5	-0.1	113.3	P486 P488 V595 W601 V602 D603	P486-R599 WeakPolarHBondContact O-CD 3.21Å; P486-R599 PolarHBondContact O-NH1 3.02Å; P488-R599 HydrophobicContact CB-CB 4.47Å; P488-R599 HydrophobicContact CG-CB 4.25Å; P488-R599 HydrophobicContact CG-CG 3.85Å; V595-R599 PolarHBondContact O-N 2.84Å; V595-R599 VanDerWaalsContact O-N 3.08Å; R599-W601 VanDerWaalsContact C-N 3.29Å; R599-W601 PolarHBondContact O-N 2.95Å; R599-V602 WeakPolarHBondContact O-CB 3.3Å; R599-V602 PolarHBondContact O-N 3.17Å; R599-V602 VanDerWaalsContact O-N 3.11Å; R599-D603 IonicContact CZ-OD1 2.72Å; R599-D603 IonicContact CZ-OD2 2.68Å; R599-D603 IonicContact NE-OD1 3.31Å; R599-D603 PolarHBondContact NE-OD1 3.48Å; R599-D603 IonicContact NE-OD2 3.17Å; R599-D603 PolarHBondContact NE-OD2 2.85Å; R599-D603 VanDerWaalsContact NE-OD2 3.12Å; R599-D603 IonicContact NH2-OD1 2.73Å; R599-D603 PolarHBondContact NH2-OD1 3.35Å; R599-D603 IonicContact NH2-OD2 3.62Å; R599-D603 VanDerWaalsContact O-CG 3.29Å; R599-D603 PolarHBondContact O-N 3Å; R599-D603 VanDerWaalsContact O-OD2 3.09Å
600	K	94.2	Very high	93.6	Very high	165 Å²	165	39.8 Å²	39.8	72%	0.717	19%	0.191	S	C	*	.	H	α-helix	trans	-58.4	-37.9	176.1	-67	-176.7	177.8	-179.5	0	113.3	Y598 E604	Y598-K600 VanDerWaalsContact C-N 3.34Å; Y598-K600 PolarHBondContact O-N 3.45Å; K600-E604 VanDerWaalsContact O-CB 3.27Å; K600-E604 WeakPolarHBondContact O-CB 3.17Å; K600-E604 PolarHBondContact O-N 3.18Å
601	W	95.4	Very high	93.7	Very high	26 Å²	26	43 Å²	43	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-71.1	-40	176.6	177.2	96.9	0	0	0	111.2	V448 H450 I465 L467 Y598 R599 E604 K605	V448-W601 HydrophobicContact CG1-CH2 4.33Å; V448-W601 HydrophobicContact CG2-CZ2 4.29Å; H450-W601 HydrophobicContact CB-CZ2 4.1Å; H450-W601 AromaticContact CD2-CD1 3.49Å; H450-W601 VanDerWaalsContact CD2-CD1 3.49Å; H450-W601 AromaticContact CD2-CD2 3.77Å; H450-W601 AromaticContact CD2-CE2 3.59Å; H450-W601 AromaticContact CD2-CG 3.77Å; H450-W601 AromaticContact CD2-NE1 3.36Å; H450-W601 PolarHBondContact CD2-NE1 3.07Å; H450-W601 AromaticContact NE2-CD1 3.71Å; H450-W601 AromaticContact NE2-NE1 3.96Å; I465-W601 HydrophobicContact CD1-CE3 4.36Å; I465-W601 HydrophobicContact CD1-CZ3 4.21Å; I465-W601 HydrophobicContact CG1-CZ3 3.93Å; I465-W601 HydrophobicContact CG2-CE3 4.21Å; I465-W601 HydrophobicContact CG2-CH2 4.46Å; I465-W601 HydrophobicContact CG2-CZ3 4.03Å; L467-W601 HydrophobicContact CD1-CZ3 4.28Å; L467-W601 HydrophobicContact CG-CH2 4.24Å; L467-W601 HydrophobicContact CG-CZ3 3.88Å; Y598-W601 WeakPolarHBondContact O-CA 3.14Å; Y598-W601 WeakPolarHBondContact O-CB 3.48Å; Y598-W601 PolarHBondContact O-N 3.41Å; R599-W601 VanDerWaalsContact C-N 3.29Å; R599-W601 PolarHBondContact O-N 2.95Å; W601-E604 PolarHBondContact O-N 3.12Å; W601-K605 HydrophobicContact CD2-CG 3.96Å; W601-K605 HydrophobicContact CG-CG 4.17Å; W601-K605 HydrophobicContact CZ2-CB 4.47Å; W601-K605 HydrophobicContact CZ2-CG 3.95Å; W601-K605 WeakPolarHBondContact O-CB 3.48Å; W601-K605 WeakPolarHBondContact O-CG 3.4Å; W601-K605 PolarHBondContact O-N 3.32Å
602	V	96.1	Very high	93.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-46	176.1	169.4	0	0	0	0	110.9	I392 L394 I465 L467 L485 Y598 R599 G606	I392-V602 HydrophobicContact CD1-CG1 3.99Å; L394-V602 HydrophobicContact CD2-CG1 3.87Å; I465-V602 HydrophobicContact CD1-CG2 3.73Å; L467-V602 HydrophobicContact CD1-CG1 4.32Å; L467-V602 HydrophobicContact CD2-CG1 4.24Å; L467-V602 HydrophobicContact CD2-CG2 4.48Å; L485-V602 HydrophobicContact CD1-CG1 3.83Å; Y598-V602 PolarHBondContact O-N 3.42Å; R599-V602 WeakPolarHBondContact O-CB 3.3Å; R599-V602 PolarHBondContact O-N 3.17Å; R599-V602 VanDerWaalsContact O-N 3.11Å; V602-G606 PolarHBondContact O-N 3.03Å
603	D	94.4	Very high	93.6	Very high	45 Å²	45	48.4 Å²	48.4	24%	0.241	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-53.3	176.4	-58	-42.3	0	0	0	110.6	R599 K605 G606 E607	R599-D603 IonicContact CZ-OD1 2.72Å; R599-D603 IonicContact CZ-OD2 2.68Å; R599-D603 IonicContact NE-OD1 3.31Å; R599-D603 PolarHBondContact NE-OD1 3.48Å; R599-D603 IonicContact NE-OD2 3.17Å; R599-D603 PolarHBondContact NE-OD2 2.85Å; R599-D603 VanDerWaalsContact NE-OD2 3.12Å; R599-D603 IonicContact NH2-OD1 2.73Å; R599-D603 PolarHBondContact NH2-OD1 3.35Å; R599-D603 IonicContact NH2-OD2 3.62Å; R599-D603 VanDerWaalsContact O-CG 3.29Å; R599-D603 PolarHBondContact O-N 3Å; R599-D603 VanDerWaalsContact O-OD2 3.09Å; D603-K605 PolarHBondContact O-N 3.17Å; D603-G606 PolarHBondContact O-N 2.76Å; D603-E607 WeakPolarHBondContact O-CG 3.39Å; D603-E607 PolarHBondContact O-N 3.41Å
604	E	94.6	Very high	93.4	Very high	76 Å²	76	51 Å²	51	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-63.6	-38	-176	-168.7	-122.2	133.9	0	0	113.9	K600 W601 K608	K600-E604 VanDerWaalsContact O-CB 3.27Å; K600-E604 WeakPolarHBondContact O-CB 3.17Å; K600-E604 PolarHBondContact O-N 3.18Å; W601-E604 PolarHBondContact O-N 3.12Å; E604-K608 WeakPolarHBondContact O-CD 3.43Å; E604-K608 VanDerWaalsContact O-CG 3.32Å; E604-K608 WeakPolarHBondContact O-CG 3.37Å; E604-K608 WeakPolarHBondContact OE1-CE 3.28Å; E604-K608 IonicContact OE1-NZ 2.68Å; E604-K608 PolarHBondContact OE1-NZ 2.87Å
605	K	94.8	Very high	93	Very high	55 Å²	55	54.4 Å²	54.4	24%	0.239	29%	0.286	C	S	.	.	H	α-helix	trans	-84.6	-34.9	179.7	-59.7	-43	-177.1	-153.7	0	112.5	V448 L467 W601 D603 E607 K608 L609	V448-K605 HydrophobicContact CG1-CB 4.02Å; V448-K605 HydrophobicContact CG2-CG 4.47Å; L467-K605 HydrophobicContact CD1-CB 4.39Å; W601-K605 HydrophobicContact CD2-CG 3.96Å; W601-K605 HydrophobicContact CG-CG 4.17Å; W601-K605 HydrophobicContact CZ2-CB 4.47Å; W601-K605 HydrophobicContact CZ2-CG 3.95Å; W601-K605 WeakPolarHBondContact O-CB 3.48Å; W601-K605 WeakPolarHBondContact O-CG 3.4Å; W601-K605 PolarHBondContact O-N 3.32Å; D603-K605 PolarHBondContact O-N 3.17Å; K605-E607 VanDerWaalsContact C-N 3.34Å; K605-E607 PolarHBondContact O-N 2.68Å; K605-K608 PolarHBondContact O-N 2.88Å; K605-L609 PolarHBondContact O-N 2.81Å
606	G	91.2	Very high	92.7	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-68.3	-31	-180	0	0	0	0	0	113.5	V602 D603	V602-G606 PolarHBondContact O-N 3.03Å; D603-G606 PolarHBondContact O-N 2.76Å
607	E	89.8	Confident	92.2	Very high	120 Å²	120	56.6 Å²	56.6	56%	0.561	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-27	171.2	-70.7	-163.9	141	0	0	113.9	L394 K395 D603 K605	L394-E607 HydrophobicContact CD1-CG 4.23Å; K395-E607 WeakPolarHBondContact CE-OE1 3.39Å; K395-E607 IonicContact NZ-OE1 2.8Å; K395-E607 PolarHBondContact NZ-OE1 3.33Å; D603-E607 WeakPolarHBondContact O-CG 3.39Å; D603-E607 PolarHBondContact O-N 3.41Å; K605-E607 VanDerWaalsContact C-N 3.34Å; K605-E607 PolarHBondContact O-N 2.68Å
608	K	91.8	Very high	91.3	Very high	151 Å²	151	55.5 Å²	55.5	66%	0.657	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-14.2	-178	-70.8	176.8	-176.4	-179	0	114.1	E604 K605	E604-K608 WeakPolarHBondContact O-CD 3.43Å; E604-K608 VanDerWaalsContact O-CG 3.32Å; E604-K608 WeakPolarHBondContact O-CG 3.37Å; E604-K608 WeakPolarHBondContact OE1-CE 3.28Å; E604-K608 IonicContact OE1-NZ 2.68Å; E604-K608 PolarHBondContact OE1-NZ 2.87Å; K605-K608 PolarHBondContact O-N 2.88Å
609	L	91.7	Very high	90	Very high	14 Å²	14	60.7 Å²	60.7	7%	0.073	31%	0.311	C	S	.	.	S	Bend	trans	-71.3	141	176.6	-74.9	164.3	0	0	0	111.2	L402 E446 V448 L467 K469 K605	L402-L609 HydrophobicContact CD1-CD1 3.82Å; E446-L609 HydrophobicContact CB-CD2 4.17Å; E446-L609 HydrophobicContact CG-CD2 3.96Å; V448-L609 HydrophobicContact CB-CD2 4.32Å; V448-L609 HydrophobicContact CG1-CD1 3.91Å; V448-L609 HydrophobicContact CG1-CD2 4.19Å; V448-L609 HydrophobicContact CG1-CG 4.28Å; L467-L609 HydrophobicContact CB-CD1 4.06Å; K469-L609 HydrophobicContact CB-CB 4.02Å; K469-L609 HydrophobicContact CB-CD1 4.15Å; K469-L609 HydrophobicContact CB-CD2 4.38Å; K469-L609 HydrophobicContact CB-CG 4.42Å; K469-L609 HydrophobicContact CD-CB 3.79Å; K469-L609 HydrophobicContact CG-CB 3.96Å; K605-L609 PolarHBondContact O-N 2.81Å
610	P	91.7	Very high	89.2	Confident	46 Å²	46	65.1 Å²	65.1	30%	0.299	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-62.8	139.5	-173.1	26.6	-36.3	0	0	0	112.3	K445 E446 K469	K445-P610 HydrophobicContact CD-CG 4.44Å; E446-P610 HydrophobicContact CB-CG 4.11Å; E446-P610 WeakPolarHBondContact OE2-CD 3.46Å; E446-P610 VanDerWaalsContact OE2-CG 3.29Å; E446-P610 WeakPolarHBondContact OE2-CG 3.19Å; K469-P610 WeakPolarHBondContact CE-O 3.19Å; K469-P610 WeakPolarHBondContact CG-O 3.13Å
611	A	90	Very high	88.4	Confident	72 Å²	72	57.3 Å²	57.3	60%	0.595	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-53.8	148.1	175.9	0	0	0	0	0	112.2	K445	K445-A611 WeakPolarHBondContact CE-O 3.36Å; K445-A611 PolarHBondContact NZ-O 3.08Å
612	P	90.8	Very high	86.9	Confident	33 Å²	33	58.3 Å²	58.3	21%	0.214	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-61.8	160.9	179.9	24.9	-34.4	0	0	0	111.9	D401 E471 A473	D401-P612 HydrophobicContact CB-CB 4.23Å; D401-P612 HydrophobicContact CB-CG 3.9Å; D401-P612 WeakPolarHBondContact OD2-CD 2.99Å; E471-P612 CarbonylContact O-C 3.58Å; E471-P612 WeakPolarHBondContact O-CB 2.96Å; A473-P612 HydrophobicContact CB-CB 4.45Å; A473-P612 HydrophobicContact CB-CG 3.95Å
613	T	92.5	Very high	85.1	Confident	81 Å²	81	58.7 Å²	58.7	50%	0.497	31%	0.305	S	S	.	.	S	Bend	trans	-79	-32.1	-179.3	58.4	0	0	0	0	112.9	K445 E471	K445-T613 HydrophobicContact CD-CG2 4.26Å; E471-T613 HydrophobicContact CG-CG2 4.25Å; E471-T613 WeakPolarHBondContact CG-OG1 3.49Å; E471-T613 PolarHBondContact O-N 2.66Å; E471-T613 PolarHBondContact O-OG1 2.94Å
614	S	91.8	Very high	83	Confident	59 Å²	59	60 Å²	60	41%	0.413	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	-177.6	174.7	75.3	0	0	0	0	111.5	H472 A473	H472-S614 CarbonylContact C-O 3.58Å; H472-S614 VanDerWaalsContact CA-O 3.25Å; H472-S614 WeakPolarHBondContact CA-O 3.36Å; H472-S614 PolarHBondContact CE1-OG 2.96Å; H472-S614 PolarHBondContact ND1-OG 2.94Å; A473-S614 PolarHBondContact N-O 3Å
615	E	87.4	Confident	80.6	Confident	85 Å²	85	57 Å²	57	40%	0.397	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	152.6	161.2	-173.4	161.6	-161.6	0	0	110.6	R399	R399-E615 IonicContact CZ-OE1 3.68Å; R399-E615 IonicContact CZ-OE2 3.32Å; R399-E615 IonicContact NH1-OE1 3Å; R399-E615 PolarHBondContact NH1-OE1 3.18Å; R399-E615 VanDerWaalsContact NH1-OE1 3.16Å; R399-E615 IonicContact NH1-OE2 2.83Å; R399-E615 PolarHBondContact NH1-OE2 3.08Å; R399-E615 IonicContact NH2-OE1 3.7Å; R399-E615 PolarHBondContact NH2-OE1 3.42Å; R399-E615 IonicContact NH2-OE2 3.88Å; R399-E615 PolarHBondContact NH2-OE2 2.87Å
616	F	89.4	Confident	77.9	Confident	2 Å²	2	57 Å²	57	1%	0.009	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-81.2	135	174.6	-172.2	-99.4	0	0	0	109.9	V442 H472 A473 I474 Y618 R620 L621	V442-F616 HydrophobicContact CG2-CD2 3.88Å; V442-F616 HydrophobicContact CG2-CE2 3.71Å; V442-F616 HydrophobicContact CG2-CZ 4.3Å; H472-F616 HydrophobicContact CB-CB 3.81Å; H472-F616 HydrophobicContact CB-CD2 4.06Å; H472-F616 HydrophobicContact CB-CG 4.46Å; A473-F616 WeakPolarHBondContact O-CB 3.48Å; A473-F616 PolarHBondContact O-N 2.91Å; I474-F616 HydrophobicContact CD1-CB 3.77Å; I474-F616 HydrophobicContact CD1-CD2 4.34Å; I474-F616 HydrophobicContact CD1-CG 3.99Å; F616-Y618 PolarHBondContact O-N 2.78Å; F616-Y618 VanDerWaalsContact O-N 3.15Å; F616-R620 HydrophobicContact CE1-CB 3.66Å; F616-R620 HydrophobicContact CZ-CB 4.03Å; F616-L621 HydrophobicContact CD1-CD1 4.15Å; F616-L621 HydrophobicContact CD1-CD2 3.91Å; F616-L621 HydrophobicContact CD1-CG 3.84Å; F616-L621 HydrophobicContact CE1-CD2 3.7Å; F616-L621 HydrophobicContact CE1-CG 3.93Å
617	P	84.8	Confident	75.3	Confident	46 Å²	46	59 Å²	59	30%	0.299	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-58.1	120.2	-175.1	-25.4	34.6	0	0	0	112.3	E619 R620	P617-E619 PolarHBondContact O-N 2.88Å; P617-R620 HydrophobicContact CB-CG 4.16Å; P617-R620 WeakPolarHBondContact O-CB 3.42Å; P617-R620 PolarHBondContact O-N 2.96Å; P617-R620 VanDerWaalsContact O-N 3.08Å
618	Y	75.6	Confident	72.6	Confident	39 Å²	39	58.5 Å²	58.5	15%	0.153	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-59.9	-34.5	-175.4	-163.3	-75.4	0	0	0	111.4	P475 T477 F616 R620 L621 T638 L639 G640	P475-Y618 HydrophobicContact CB-CD2 4.1Å; P475-Y618 HydrophobicContact CB-CE2 4.28Å; P475-Y618 HydrophobicContact CG-CD2 3.73Å; P475-Y618 HydrophobicContact CG-CE2 4.21Å; T477-Y618 WeakPolarHBondContact CB-OH 3.42Å; T477-Y618 HydrophobicContact CG2-CD2 4.48Å; T477-Y618 HydrophobicContact CG2-CE1 4.42Å; T477-Y618 HydrophobicContact CG2-CE2 3.49Å; T477-Y618 VanDerWaalsContact CG2-CE2 3.49Å; T477-Y618 VanDerWaalsContact CG2-CZ 3.43Å; T477-Y618 WeakPolarHBondContact CG2-OH 3.4Å; F616-Y618 PolarHBondContact O-N 2.78Å; F616-Y618 VanDerWaalsContact O-N 3.15Å; Y618-R620 PolarHBondContact O-N 3.47Å; Y618-L621 PolarHBondContact O-N 2.83Å; Y618-T638 WeakPolarHBondContact CE1-O 3.45Å; Y618-T638 WeakPolarHBondContact OH-CB 3.41Å; Y618-T638 PolarHBondContact OH-O 3.36Å; Y618-L639 PolarHBondContact OH-N 2.96Å; Y618-L639 VanDerWaalsContact OH-N 3.07Å; Y618-L639 PolarHBondContact OH-O 3.32Å; Y618-G640 VanDerWaalsContact CE2-CA 3.48Å; Y618-G640 PolarHBondContact OH-N 2.86Å
619	E	67.6	Low	70.2	Confident	124 Å²	124	55.4 Å²	55.4	58%	0.579	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-64.6	-10.7	-179.3	-51.3	74.2	-161.5	0	0	113.5	P617 V622	P617-E619 PolarHBondContact O-N 2.88Å; E619-V622 VanDerWaalsContact O-CG2 3.29Å; E619-V622 WeakPolarHBondContact O-CG2 3.38Å
620	R	77.3	Confident	67.5	Low	127 Å²	127	56 Å²	56	48%	0.479	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-94.1	-21	174.2	-64.3	177.1	-177.9	-164.1	3.9	113.1	A439 K440 F616 P617 Y618 V622	A439-R620 WeakPolarHBondContact O-CD 3.36Å; K440-R620 WeakPolarHBondContact CE-O 3.32Å; K440-R620 WeakPolarHBondContact CG-O 3.41Å; F616-R620 HydrophobicContact CE1-CB 3.66Å; F616-R620 HydrophobicContact CZ-CB 4.03Å; P617-R620 HydrophobicContact CB-CG 4.16Å; P617-R620 WeakPolarHBondContact O-CB 3.42Å; P617-R620 PolarHBondContact O-N 2.96Å; P617-R620 VanDerWaalsContact O-N 3.08Å; Y618-R620 PolarHBondContact O-N 3.47Å; R620-V622 PolarHBondContact O-N 3.17Å
621	L	76.9	Confident	64.7	Low	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-85.2	40.5	179.9	-62.6	178.6	0	0	0	112.2	V427 K440 I474 P475 T477 I479 T480 F616 Y618 T638	V427-L621 HydrophobicContact CG2-CD2 3.81Å; K440-L621 HydrophobicContact CG-CD2 4.43Å; I474-L621 HydrophobicContact CG2-CD1 3.98Å; P475-L621 HydrophobicContact CG-CD1 3.8Å; T477-L621 HydrophobicContact CG2-CB 4.2Å; T477-L621 HydrophobicContact CG2-CD1 3.94Å; I479-L621 WeakPolarHBondContact CD1-O 3.33Å; T480-L621 HydrophobicContact CG2-CD1 4.44Å; T480-L621 HydrophobicContact CG2-CD2 4.08Å; F616-L621 HydrophobicContact CD1-CD1 4.15Å; F616-L621 HydrophobicContact CD1-CD2 3.91Å; F616-L621 HydrophobicContact CD1-CG 3.84Å; F616-L621 HydrophobicContact CE1-CD2 3.7Å; F616-L621 HydrophobicContact CE1-CG 3.93Å; Y618-L621 PolarHBondContact O-N 2.83Å; L621-T638 WeakPolarHBondContact O-CB 3.46Å; L621-T638 WeakPolarHBondContact O-CG2 2.98Å; L621-T638 PolarHBondContact O-OG1 3Å
622	V	64.2	Low	62.4	Low	47 Å²	47	62.6 Å²	62.6	29%	0.285	32%	0.324	S	S	.	.			trans	-83.8	141.9	-175.4	178.2	0	0	0	0	110.8	K440 E619 R620 Y624	K440-V622 WeakPolarHBondContact CE-O 3.23Å; K440-V622 PolarHBondContact NZ-O 3.16Å; E619-V622 VanDerWaalsContact O-CG2 3.29Å; E619-V622 WeakPolarHBondContact O-CG2 3.38Å; R620-V622 PolarHBondContact O-N 3.17Å; V622-Y624 PolarHBondContact O-N 3.27Å
623	E	59	Low	59.6	Low	8 Å²	8	63.1 Å²	63.1	4%	0.037	34%	0.336	C	S	.	.			trans	-73.1	119.1	172.1	-162.2	-139.8	151.1	0	0	110.9	F344 H365 I479 L625 T638	F344-E623 HydrophobicContact CE1-CG 4.29Å; F344-E623 WeakPolarHBondContact CE1-OE1 3.33Å; F344-E623 HydrophobicContact CZ-CG 3.68Å; H365-E623 VanDerWaalsContact CD2-CG 3.45Å; H365-E623 WeakPolarHBondContact CD2-CG 3.49Å; I479-E623 HydrophobicContact CG2-CB 4.35Å; I479-E623 HydrophobicContact CG2-CG 4.2Å; E623-L625 VanDerWaalsContact C-N 3.26Å; E623-L625 PolarHBondContact O-N 2.97Å; E623-L625 WeakPolarHBondContact OE1-CD2 3.33Å; E623-L625 WeakPolarHBondContact OE2-CD2 3.44Å; E623-T638 HydrophobicContact CB-CG2 4.48Å
624	Y	50.2	Low	56.9	Low	74 Å²	74	65 Å²	65	29%	0.29	35%	0.347	S	S	.	.			trans	-83.7	70.3	179.4	-153.8	-81.9	0	0	0	110.4	T300 E303 K364 D436 V622 T626	T300-Y624 HydrophobicContact CG2-CE1 3.71Å; E303-Y624 PolarHBondContact OE1-OH 2.03Å; E303-Y624 PolarHBondContact OE2-OH 2.91Å; K364-Y624 WeakPolarHBondContact CE-O 3.12Å; K364-Y624 PolarHBondContact NZ-O 3.18Å; D436-Y624 HydrophobicContact CB-CD2 4Å; D436-Y624 HydrophobicContact CB-CG 4.43Å; V622-Y624 PolarHBondContact O-N 3.27Å; Y624-T626 PolarHBondContact O-N 2.89Å
625	L	44.7	Very low	54.3	Low	12 Å²	12	67.1 Å²	67.1	6%	0.063	35%	0.349	C	S	.	.			trans	-39.2	135.2	179	-64.3	173	0	0	0	111.9	E623 E629 V630	E623-L625 VanDerWaalsContact C-N 3.26Å; E623-L625 PolarHBondContact O-N 2.97Å; E623-L625 WeakPolarHBondContact OE1-CD2 3.33Å; E623-L625 WeakPolarHBondContact OE2-CD2 3.44Å; L625-E629 HydrophobicContact CB-CB 4.02Å; L625-E629 HydrophobicContact CD2-CB 4.03Å; L625-V630 HydrophobicContact CB-CG2 3.7Å; L625-V630 HydrophobicContact CD1-CG2 4.48Å
626	T	38.7	Very low	52	Low	54 Å²	54	69.7 Å²	69.7	33%	0.331	36%	0.355	S	S	.	.			trans	-60.8	156.4	174.1	65.4	0	0	0	0	111	Y624 N628 E629 V630	Y624-T626 PolarHBondContact O-N 2.89Å; T626-N628 PolarHBondContact O-N 2.69Å; T626-E629 VanDerWaalsContact CB-OE2 3.24Å; T626-E629 WeakPolarHBondContact CB-OE2 3.41Å; T626-E629 VanDerWaalsContact CG2-OE2 3.28Å; T626-E629 WeakPolarHBondContact CG2-OE2 3.48Å; T626-E629 PolarHBondContact N-OE2 2.94Å; T626-E629 PolarHBondContact O-N 3.37Å; T626-E629 WeakPolarHBondContact OG1-CG 3.39Å; T626-E629 PolarHBondContact OG1-N 2.9Å; T626-E629 PolarHBondContact OG1-OE2 2.88Å; T626-V630 WeakPolarHBondContact O-CG2 3.31Å; T626-V630 PolarHBondContact O-N 3.38Å
627	P	36.3	Very low	49.7	Very low	45 Å²	45	76.5 Å²	76.5	29%	0.292	39%	0.386	S	S	.	.	H	α-helix	trans	-52.1	-32.8	-179.5	-29.8	36.7	0	0	0	114.6	T300 I301 V630 M631	T300-P627 HydrophobicContact CG2-CG 4.39Å; I301-P627 HydrophobicContact CD1-CB 4.14Å; I301-P627 HydrophobicContact CG1-CB 4.41Å; P627-V630 WeakPolarHBondContact O-CB 3.36Å; P627-M631 WeakPolarHBondContact O-CG 3.39Å; P627-M631 PolarHBondContact O-N 2.96Å; P627-M631 VanDerWaalsContact O-N 3.13Å
628	N	33.3	Very low	47.8	Very low	110 Å²	110	74.7 Å²	74.7	59%	0.588	37%	0.374	S	S	*	.	H	α-helix	trans	-73.5	-38.5	174.9	-81.1	-11.9	0	0	0	113.6	T626 V630 M631 N632	T626-N628 PolarHBondContact O-N 2.69Å; N628-V630 VanDerWaalsContact C-N 3.29Å; N628-M631 PolarHBondContact O-N 2.94Å; N628-N632 WeakPolarHBondContact O-CB 3.18Å; N628-N632 PolarHBondContact O-N 2.97Å; N628-N632 VanDerWaalsContact O-N 3.15Å; N628-N632 PolarHBondContact O-ND2 2.92Å
629	E	39.5	Very low	46	Very low	85 Å²	85	75.9 Å²	75.9	40%	0.397	38%	0.383	S	S	.	.	H	α-helix	trans	-69.4	-31.7	176	-69.6	156.1	155.3	0	0	111.2	L625 T626 N632 G633	L625-E629 HydrophobicContact CB-CB 4.02Å; L625-E629 HydrophobicContact CD2-CB 4.03Å; T626-E629 VanDerWaalsContact CB-OE2 3.24Å; T626-E629 WeakPolarHBondContact CB-OE2 3.41Å; T626-E629 VanDerWaalsContact CG2-OE2 3.28Å; T626-E629 WeakPolarHBondContact CG2-OE2 3.48Å; T626-E629 PolarHBondContact N-OE2 2.94Å; T626-E629 PolarHBondContact O-N 3.37Å; T626-E629 WeakPolarHBondContact OG1-CG 3.39Å; T626-E629 PolarHBondContact OG1-N 2.9Å; T626-E629 PolarHBondContact OG1-OE2 2.88Å; E629-N632 PolarHBondContact O-N 3.46Å; E629-G633 PolarHBondContact O-N 3.33Å
630	V	36.8	Very low	44.5	Very low	26 Å²	26	71.8 Å²	71.8	16%	0.158	37%	0.374	C	S	.	.	H	α-helix	trans	-62.8	-43.8	169.2	173.1	0	0	0	0	112.1	K302 L625 T626 P627 N628 N632	K302-V630 HydrophobicContact CB-CB 4.39Å; K302-V630 HydrophobicContact CB-CG1 3.63Å; K302-V630 HydrophobicContact CB-CG2 3.92Å; K302-V630 HydrophobicContact CD-CG1 4.28Å; K302-V630 HydrophobicContact CD-CG2 3.51Å; K302-V630 HydrophobicContact CG-CB 4.38Å; K302-V630 HydrophobicContact CG-CG1 3.61Å; K302-V630 HydrophobicContact CG-CG2 3.81Å; L625-V630 HydrophobicContact CB-CG2 3.7Å; L625-V630 HydrophobicContact CD1-CG2 4.48Å; T626-V630 WeakPolarHBondContact O-CG2 3.31Å; T626-V630 PolarHBondContact O-N 3.38Å; P627-V630 WeakPolarHBondContact O-CB 3.36Å; N628-V630 VanDerWaalsContact C-N 3.29Å; V630-N632 VanDerWaalsContact C-N 3.28Å; V630-N632 PolarHBondContact O-N 3.21Å
631	M	32.7	Very low	42.5	Very low	115 Å²	115	69.9 Å²	69.9	57%	0.567	39%	0.386	S	S	*	.	H	α-helix	trans	-66.4	-29.7	-179.5	-70.9	-109.4	-83.1	0	0	112.7	I301 P627 N628	I301-M631 HydrophobicContact CD1-CE 4.13Å; I301-M631 HydrophobicContact CD1-CG 3.81Å; I301-M631 HydrophobicContact CD1-SD 3.76Å; I301-M631 HydrophobicContact CG2-CG 4.1Å; I301-M631 HydrophobicContact CG2-SD 3.92Å; P627-M631 WeakPolarHBondContact O-CG 3.39Å; P627-M631 PolarHBondContact O-N 2.96Å; P627-M631 VanDerWaalsContact O-N 3.13Å; N628-M631 PolarHBondContact O-N 2.94Å
632	N	40.3	Very low	40.2	Very low	142 Å²	142	76.7 Å²	76.7	76%	0.759	42%	0.421	S	S	*	.	H	α-helix	trans	-100.9	-6.7	-169.4	-69.5	-27.3	0	0	0	115.7	N628 E629 V630	N628-N632 WeakPolarHBondContact O-CB 3.18Å; N628-N632 PolarHBondContact O-N 2.97Å; N628-N632 VanDerWaalsContact O-N 3.15Å; N628-N632 PolarHBondContact O-ND2 2.92Å; E629-N632 PolarHBondContact O-N 3.46Å; V630-N632 VanDerWaalsContact C-N 3.28Å; V630-N632 PolarHBondContact O-N 3.21Å
633	G	32.7	Very low	38.7	Very low	44 Å²	44	83.2 Å²	83.2	45%	0.454	45%	0.448	S	S	.	.	S	Bend	trans	147.4	127.3	161.4	0	0	0	0	0	117.4	E629	E629-G633 PolarHBondContact O-N 3.33Å
634	V	36.1	Very low	37.3	Very low	120 Å²	120	91.7 Å²	91.7	73%	0.727	49%	0.488	S	S	*	.			trans	61.5	122.4	163.8	-169.6	0	0	0	0	116.3	R636	V634-R636 PolarHBondContact O-N 3.38Å
635	K	36.7	Very low	36.5	Very low	105 Å²	105	95 Å²	95	46%	0.457	52%	0.516	S	S	.	.			trans	-56.7	100.2	159.8	-86.1	178.7	170.8	-173	0	109.4	H637	K635-H637 PolarHBondContact O-N 3.4Å; K635-H637 VanDerWaalsContact O-N 3.12Å
636	R	40.1	Very low	35.9	Very low	138 Å²	138	98 Å²	98	52%	0.521	55%	0.549	S	S	.	.			trans	-67.8	109.1	164	-68.9	-174.2	-179.8	-174.2	0.5	107.7	V634	V634-R636 PolarHBondContact O-N 3.38Å
637	H	40.5	Very low	35.5	Very low	146 Å²	146	103.5 Å²	103.5	68%	0.676	58%	0.577	S	S	*	*			trans	-62.3	131	150.8	-76.2	-98.3	0	0	0	106.1	K635	K635-H637 PolarHBondContact O-N 3.4Å; K635-H637 VanDerWaalsContact O-N 3.12Å
638	T	44.4	Very low	35.4	Very low	8 Å²	8	111 Å²	111	5%	0.049	61%	0.608	C	S	.	*			trans	-52.1	142	158.7	28.7	0	0	0	0	108.4	I479 Y618 L621 E623 G640	I479-T638 HydrophobicContact CG1-CG2 4.27Å; I479-T638 HydrophobicContact CG2-CG2 4.24Å; Y618-T638 WeakPolarHBondContact CE1-O 3.45Å; Y618-T638 WeakPolarHBondContact OH-CB 3.41Å; Y618-T638 PolarHBondContact OH-O 3.36Å; L621-T638 WeakPolarHBondContact O-CB 3.46Å; L621-T638 WeakPolarHBondContact O-CG2 2.98Å; L621-T638 PolarHBondContact O-OG1 3Å; E623-T638 HydrophobicContact CB-CG2 4.48Å; T638-G640 PolarHBondContact O-N 3.19Å
639	L	37.9	Very low	35.3	Very low	63 Å²	63	110.1 Å²	110.1	33%	0.33	62%	0.616	S	S	.	*	S	Bend	trans	-85.2	107.9	-167.4	-72.8	163.4	0	0	0	111.9	V329 Y618	V329-L639 HydrophobicContact CB-CD2 4.41Å; V329-L639 HydrophobicContact CG1-CB 4.26Å; V329-L639 HydrophobicContact CG1-CD2 4.22Å; V329-L639 HydrophobicContact CG2-CD2 4.05Å; Y618-L639 PolarHBondContact OH-N 2.96Å; Y618-L639 VanDerWaalsContact OH-N 3.07Å; Y618-L639 PolarHBondContact OH-O 3.32Å
640	G	35.9	Very low	34.9	Very low	38 Å²	38	111.8 Å²	111.8	39%	0.392	64%	0.637	S	S	.	*			trans	-167.2	146	174.9	0	0	0	0	0	113	Y618 T638	Y618-G640 VanDerWaalsContact CE2-CA 3.48Å; Y618-G640 PolarHBondContact OH-N 2.86Å; T638-G640 PolarHBondContact O-N 3.19Å
641	A	35.3	Very low	34.8	Very low	88 Å²	88	115.3 Å²	115.3	73%	0.727	67%	0.669	S	S	*	*			trans	-102.8	132.9	-158.6	0	0	0	0	0	114.1
642	I	28.5	Very low	34.8	Very low	143 Å²	143	117.7 Å²	117.7	73%	0.733	68%	0.683	S	S	*	*			trans	-100.7	113.9	144.8	-61.6	173.4	0	0	0	105.9
643	Q	32.4	Very low	34.5	Very low	184 Å²	184	115.8 Å²	115.8	86%	0.86	68%	0.678	S	S	*	*			trans	-125.5	124.2	164.4	-156.4	173.1	29.4	0	0	109.3
644	Q	30.6	Very low	34.5	Very low	186 Å²	186	119.3 Å²	119.3	87%	0.869	69%	0.691	S	S	*	*			trans	-68.2	145.1	178.4	-70.3	173.5	-24.4	0	0	110.7
645	T	33.2	Very low	34.4	Very low	143 Å²	143	125 Å²	125	88%	0.877	70%	0.7	S	S	*	*			trans	-71	136.2	175.7	47.9	0	0	0	0	112.5
646	G	32.3	Very low	34.4	Very low	75 Å²	75	125.2 Å²	125.2	77%	0.773	71%	0.711	S	S	*	*			trans	101.5	97.3	146.3	0	0	0	0	0	117.5
647	N	29.9	Very low	34.3	Very low	170 Å²	170	124.6 Å²	124.6	91%	0.909	73%	0.725	S	S	*	*			trans	-77.3	136.5	154.5	-83.6	-28.1	0	0	0	110.1
648	Q	34.4	Very low	34.1	Very low	203 Å²	203	124.4 Å²	124.4	95%	0.949	73%	0.734	S	S	*	*			trans	-156.4	162.6	134.3	-109.8	178.3	30.5	0	0	110.3
649	A	30.7	Very low	33.7	Very low	90 Å²	90	130.1 Å²	130.1	74%	0.744	77%	0.769	S	S	*	*			trans	-111.1	166.2	-145.9	0	0	0	0	0	116.8
650	S	31.4	Very low	33.5	Very low	121 Å²	121	131.5 Å²	131.5	85%	0.846	79%	0.79	S	S	*	*			trans	84.6	147.3	152.7	75.9	0	0	0	0	120.9
651	A	35.5	Very low	33.6	Very low	100 Å²	100	135.2 Å²	135.2	83%	0.826	81%	0.807	S	S	*	*			trans	82.1	103.2	167.3	0	0	0	0	0	120.5
652	L	31.6	Very low	33.4	Very low	165 Å²	165	137.3 Å²	137.3	86%	0.864	81%	0.81	S	S	*	*			trans	-70.3	177.1	155.3	-84.1	153.2	0	0	0	112
653	P	35.2	Very low	33.6	Very low	101 Å²	101	142.1 Å²	142.1	66%	0.656	82%	0.819	S	S	*	*			cis	-141.3	-178	-2.1	25	1.3	0	0	0	118.1
654	T	32.6	Very low	33.5	Very low	119 Å²	119	137.2 Å²	137.2	73%	0.73	81%	0.81	S	S	*	*			trans	77.6	108.4	142.3	39.7	0	0	0	0	125
655	R	33	Very low	33.7	Very low	240 Å²	240	137.8 Å²	137.8	91%	0.906	81%	0.81	S	S	*	*				53.6	166.1	123.9	-93.7	-171.6	171.3	-172.1	-1.7	121.9
656	P	37.8	Very low	33.6	Very low	108 Å²	108	137.7 Å²	137.7	70%	0.701	80%	0.803	S	S	*	*			cis	-130.9	-177	-21.7	33	-11.3	0	0	0	113.6
657	P	36.3	Very low	33.7	Very low	125 Å²	125	143.4 Å²	143.4	81%	0.812	81%	0.807	S	S	*	*			trans	-100.4	169.1	-168.3	39.5	-36.1	0	0	0	116.2
658	V	38.1	Very low	34	Very low	143 Å²	143	139.9 Å²	139.9	87%	0.867	79%	0.792	S	S	*	*			trans	-135.4	151	169.5	-177.4	0	0	0	0	110.8
659	T	34.9	Very low	33.9	Very low	128 Å²	128	137.6 Å²	137.6	79%	0.785	79%	0.786	S	S	*	*			trans	-114	175.7	-169.6	45.3	0	0	0	0	113.9
660	A	33.5	Very low	34.2	Very low	92 Å²	92	138.2 Å²	138.2	76%	0.76	79%	0.792	S	S	*	*			trans	91.2	158.1	153.7	0	0	0	0	0	117.9
661	P	38.9	Very low	34.4	Very low	115 Å²	115	138.4 Å²	138.4	75%	0.747	79%	0.788	S	S	*	*				-145.4	-169.2	-118.7	41.9	-19	0	0	0	116.9
662	V	30	Very low	34.3	Very low	132 Å²	132	141 Å²	141	80%	0.8	79%	0.788	S	S	*	*			trans	59.4	117.7	160.7	-173.8	0	0	0	0	119.1
663	R	33.9	Very low	34.6	Very low	245 Å²	245	138.7 Å²	138.7	93%	0.925	78%	0.783	S	S	*	*			trans	-154	131.3	131	-120.3	172.3	-176.8	166.4	1.3	112.2
664	A	30.6	Very low	34.6	Very low	81 Å²	81	139.4 Å²	139.4	67%	0.669	79%	0.787	S	S	*	*			trans	-90.2	156.4	173.6	0	0	0	0	0	110.8
665	F	33.1	Very low	34.5	Very low	197 Å²	197	139 Å²	139	86%	0.864	79%	0.789	S	S	*	*			trans	-128	118.3	155.7	-111.9	-87.2	0	0	0	109.1
666	L	31.9	Very low	34.5	Very low	141 Å²	141	138.5 Å²	138.5	74%	0.738	79%	0.789	S	S	*	*			trans	-89	141.3	171	-76.1	157	0	0	0	108.8
667	F	34.4	Very low	34.1	Very low	196 Å²	196	144.5 Å²	144.5	86%	0.86	80%	0.799	S	S	*	*			trans	-133.4	150.3	143.3	-101.7	-80.1	0	0	0	109
668	T	36.5	Very low	33.8	Very low	95 Å²	95	141.6 Å²	141.6	58%	0.583	79%	0.792	S	S	*	*			trans	-121.6	156	-145.1	45.5	0	0	0	0	113.9
669	N	32.9	Very low	33.4	Very low	155 Å²	155	141.4 Å²	141.4	83%	0.829	79%	0.786	S	S	*	*			trans	55.9	116.1	149.3	-59.3	-13.2	0	0	0	120
670	A	35.3	Very low	33.2	Very low	104 Å²	104	145.9 Å²	145.9	86%	0.86	79%	0.794	S	S	*	*				-163.2	140.3	118.5	0	0	0	0	0	112.6
671	T	36.8	Very low	32.9	Very low	124 Å²	124	149.6 Å²	149.6	76%	0.761	80%	0.796	S	S	*	*			trans	-75.3	150.1	-170.5	45.8	0	0	0	0	117.8
672	N	33.7	Very low	32.5	Very low	155 Å²	155	148.6 Å²	148.6	83%	0.829	80%	0.797	S	S	*	*			trans	76.4	143.1	145.6	-71.2	-21.4	0	0	0	122
673	P	37.5	Very low	32.7	Very low	117 Å²	117	149.9 Å²	149.9	76%	0.76	80%	0.799	S	S	*	*			trans	-106.7	165.6	-174.9	41.6	-35.6	0	0	0	114.8
674	P	35.5	Very low	32.4	Very low	115 Å²	115	144.2 Å²	144.2	75%	0.747	79%	0.791	S	S	*	*			trans	-129.8	144.4	150.7	35.8	-22.5	0	0	0	113.9
675	S	29.6	Very low	32.7	Very low	111 Å²	111	145.1 Å²	145.1	78%	0.776	79%	0.791	S	S	*	*			trans	-78	139.6	164.3	53.1	0	0	0	0	111.3
676	Y	33.2	Very low	32.9	Very low	229 Å²	229	143.2 Å²	143.2	90%	0.898	78%	0.784	S	S	*	*			trans	-144.5	137.1	159.6	-108.6	-81.6	0	0	0	113.9
677	Y	29	Very low	32.9	Very low	234 Å²	234	144.5 Å²	144.5	92%	0.918	78%	0.783	S	S	*	*			trans	-77	156.8	169.3	-104.7	-112.3	0	0	0	111
678	G	31.3	Very low	32.6	Very low	64 Å²	64	142.6 Å²	142.6	66%	0.66	78%	0.781	S	S	*	*			trans	153.7	90.6	164.9	0	0	0	0	0	112.3
679	L	29.1	Very low	32.1	Very low	140 Å²	140	143.8 Å²	143.8	73%	0.733	79%	0.788	S	S	*	*				64.8	110.6	89.2	-82.7	163.9	0	0	0	115.2	Q681	L679-Q681 HydrophobicContact CD2-CG 4.02Å
680	F	30.5	Very low	32	Very low	221 Å²	221	143.2 Å²	143.2	97%	0.969	78%	0.784	S	S	*	*			trans	-134	123.1	145.7	-114	-87.8	0	0	0	108.8
681	Q	26.9	Very low	31.6	Very low	171 Å²	171	145.4 Å²	145.4	80%	0.799	77%	0.774	S	S	*	*			trans	-106	139.7	179.6	-68.2	172.1	-60.9	0	0	110.9	L679	L679-Q681 HydrophobicContact CD2-CG 4.02Å
682	A	31.7	Very low	31.1	Very low	93 Å²	93	146.9 Å²	146.9	77%	0.769	78%	0.777	S	S	*	*			trans	-178.9	158.1	159.4	0	0	0	0	0	110.1
683	L	32.6	Very low	30.8	Very low	159 Å²	159	146.4 Å²	146.4	83%	0.832	77%	0.769	S	S	*	*			cis	-149	106.3	-26.5	-112.3	173.8	0	0	0	110.2
684	V	28.7	Very low	30.5	Very low	126 Å²	126	147.5 Å²	147.5	76%	0.764	77%	0.768	S	S	*	*			trans	1.1	152.8	137.6	-153.5	0	0	0	0	116.9
685	P	37.7	Very low	30.4	Very low	101 Å²	101	146.4 Å²	146.4	66%	0.656	76%	0.763	S	S	*	*				-139.6	-175.1	-55	43.3	-26	0	0	0	113.1
686	H	36.3	Very low	30.5	Very low	156 Å²	156	149.9 Å²	149.9	72%	0.722	77%	0.767	S	S	*	*				-174.6	141.4	123.2	-118.8	-108.9	0	0	0	117.2
687	K	30.9	Very low	30.6	Very low	168 Å²	168	149.5 Å²	149.5	73%	0.73	76%	0.764	S	S	*	*			trans	-28.7	139.7	167.8	-50.5	168.9	-172.7	176.4	0	118.3
688	L	28.7	Very low	30.9	Very low	156 Å²	156	144.8 Å²	144.8	82%	0.817	75%	0.754	S	S	*	*				-150.1	131.7	105.7	-146.2	78	0	0	0	111.9
689	V	27	Very low	31.1	Very low	120 Å²	120	148.8 Å²	148.8	73%	0.727	76%	0.76	S	S	*	*			trans	-108.3	127.7	172.4	168	0	0	0	0	107.4	K691	V689-K691 HydrophobicContact CG1-CG 4.17Å
690	I	29.9	Very low	31.1	Very low	144 Å²	144	150 Å²	150	74%	0.738	77%	0.766	S	S	*	*			trans	-116.2	105.5	155.3	-65.9	-178.8	0	0	0	107.2
691	K	26.2	Very low	31.2	Very low	149 Å²	149	148.4 Å²	148.4	65%	0.648	76%	0.762	S	S	*	*			trans	-68.6	130.4	161.2	-75	178.7	167.3	-165.1	0	108	V689	V689-K691 HydrophobicContact CG1-CG 4.17Å
692	L	27.5	Very low	31.4	Very low	156 Å²	156	149 Å²	149	82%	0.817	77%	0.769	S	S	*	*			trans	-118.8	90.1	141	-92.2	165.7	0	0	0	107.7	L694	L692-L694 PolarHBondContact O-N 3.2Å
693	Q	26.8	Very low	31.4	Very low	145 Å²	145	153.1 Å²	153.1	68%	0.678	77%	0.773	S	S	*	*			trans	-71.1	108.4	156.1	-70.7	175.9	-107.8	0	0	106.4
694	L	31.3	Very low	31.3	Very low	140 Å²	140	156.8 Å²	156.8	73%	0.733	78%	0.775	S	S	*	*			trans	-122.3	139.8	151	-82.3	176.1	0	0	0	109.3	L692	L692-L694 PolarHBondContact O-N 3.2Å
695	S	33.4	Very low	31.4	Very low	92 Å²	92	158 Å²	158	64%	0.643	78%	0.783	S	S	*	*			trans	-89.5	171.6	-158.5	50.2	0	0	0	0	113.2	R697	S695-R697 PolarHBondContact O-N 3.48Å
696	H	32	Very low	31.1	Very low	183 Å²	183	158.4 Å²	158.4	85%	0.847	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	62.5	176	-159.3	-124.8	0	0	0	114.5
697	R	35.5	Very low	30.7	Very low	221 Å²	221	154.7 Å²	154.7	83%	0.834	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	-20.8	175.5	-117.3	-179.1	-177.7	179.3	0.4	114.7	S695 L699	S695-R697 PolarHBondContact O-N 3.48Å; R697-L699 PolarHBondContact O-N 2.69Å
698	D	34.4	Very low	30.7	Very low	135 Å²	135	155 Å²	155	72%	0.722	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	12	-176	-56.7	-34.5	0	0	0	114.4
699	L	35.3	Very low	30.7	Very low	148 Å²	148	160 Å²	160	78%	0.775	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	6	-177.3	-97.9	165	0	0	0	114.9	R697	R697-L699 PolarHBondContact O-N 2.69Å
700	L	30.8	Very low	30.7	Very low	166 Å²	166	162.6 Å²	162.6	87%	0.869	79%	0.788	S	S	*	*	S	Bend	trans	-141	64	-177.6	-76.7	172.5	0	0	0	113.1
701	Q	31.4	Very low	30.7	Very low	187 Å²	187	161.7 Å²	161.7	87%	0.874	79%	0.792	S	S	*	*			trans	-152.3	12.1	161.9	-125.4	178.1	26.3	0	0	117.1	H703	Q701-H703 VanDerWaalsContact C-N 3.27Å; Q701-H703 PolarHBondContact O-N 2.96Å
702	L	30.5	Very low	31	Very low	184 Å²	184	164.2 Å²	164.2	96%	0.963	80%	0.803	S	S	*	*			trans	-86.7	62.5	174.8	-83.7	162.6	0	0	0	112.6
703	H	33.1	Very low	31	Very low	180 Å²	180	165 Å²	165	83%	0.833	80%	0.802	S	S	*	*	S	Bend	trans	-137.3	126.7	160.1	-103	-86	0	0	0	107.9	Q701	Q701-H703 VanDerWaalsContact C-N 3.27Å; Q701-H703 PolarHBondContact O-N 2.96Å
704	R	30	Very low	31.1	Very low	235 Å²	235	167.4 Å²	167.4	89%	0.887	81%	0.811	S	S	*	*			trans	65.2	94.8	179.2	-59.3	177.9	172.7	169.9	-3.4	117.5
705	V	31.8	Very low	31	Very low	153 Å²	153	167.8 Å²	167.8	93%	0.927	81%	0.813	S	S	*	*				-139.4	119	123	179.8	0	0	0	0	107.7
706	Q	29.5	Very low	30.5	Very low	109 Å²	109	169.6 Å²	169.6	51%	0.509	82%	0.82	S	S	.	*			trans	-81.4	162	176	-79.3	163	-42.8	0	0	112.1	D1107	Q706-D1107 PolarHBondContact NE2-OD1 3.04Å
707	A	29.3	Very low	30.4	Very low	78 Å²	78	169.1 Å²	169.1	65%	0.645	82%	0.818	S	S	*	*			trans	61.3	119.1	150	0	0	0	0	0	119.2
708	H	30	Very low	30	Very low	175 Å²	175	165.3 Å²	165.3	81%	0.81	81%	0.81	S	S	*	*				178	127	106.9	-95.4	59.2	0	0	0	108.7
709	W	29.4	Very low	29.8	Very low	260 Å²	260	170.1 Å²	170.1	99%	0.985	82%	0.819	S	S	*	*			trans	165.3	116.3	145.4	-94.7	103.8	0	0	0	109
710	Q	27.7	Very low	29.4	Very low	175 Å²	175	172.5 Å²	172.5	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-89.8	154.7	-172.5	-67.2	-174.1	-29.9	0	0	113.4
711	P	28.3	Very low	29.2	Very low	124 Å²	124	168.1 Å²	168.1	81%	0.805	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-82.1	130.7	163	33.3	-30.2	0	0	0	110.9
712	K	32.8	Very low	29.1	Very low	203 Å²	203	168 Å²	168	88%	0.883	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-96.6	138.6	168.2	-90.3	-173.3	171.4	-177.3	0	111
713	E	27.3	Very low	28.7	Very low	173 Å²	173	167.6 Å²	167.6	81%	0.808	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74.7	155.1	174	-52.6	114.4	138.7	0	0	112.3
714	F	29.7	Very low	28.5	Very low	194 Å²	194	169.5 Å²	169.5	85%	0.851	81%	0.812	S	S	*	*			trans	-150	99.9	154	-130.2	-87.3	0	0	0	113.4
715	L	28.8	Very low	28.2	Very low	148 Å²	148	164.3 Å²	164.3	78%	0.775	81%	0.807	S	S	*	*			trans	34.8	130.1	139.9	-76.1	153.4	0	0	0	123.3
716	V	24	Very low	28.1	Very low	131 Å²	131	164.3 Å²	164.3	79%	0.794	80%	0.801	S	S	*	*			trans	-49.7	139.3	156.7	172.3	0	0	0	0	113.7
717	Q	29.5	Very low	27.9	Very low	172 Å²	172	165.9 Å²	165.9	80%	0.804	81%	0.813	S	S	*	*			trans	-158.7	134.7	138.4	-113.8	170	31.6	0	0	114.3
718	Q	25.6	Very low	27.8	Very low	142 Å²	142	166.4 Å²	166.4	66%	0.664	81%	0.812	S	S	*	*			trans	21.5	137.3	151.4	-64.9	170.1	-55.4	0	0	121.2
719	Y	31	Very low	27.8	Very low	235 Å²	235	164.1 Å²	164.1	92%	0.922	81%	0.806	S	S	*	*				-153.1	141	102.3	-105	-76.2	0	0	0	111.2
720	K	26.5	Very low	27.9	Very low	198 Å²	198	157.5 Å²	157.5	86%	0.861	79%	0.794	S	S	*	*			trans	-96	142.6	178.1	-74.6	179.2	172.9	-178.8	0	110.5
721	G	26.1	Very low	27.9	Very low	75 Å²	75	158.1 Å²	158.1	77%	0.773	80%	0.797	S	S	*	*			trans	52.3	129.4	135.2	0	0	0	0	0	121.2
722	Q	29.5	Very low	27.9	Very low	184 Å²	184	155.8 Å²	155.8	86%	0.86	80%	0.796	S	S	*	*				-154.7	137.6	123.6	-113.9	170.7	-11.9	0	0	110.2
723	E	23.6	Very low	27.9	Very low	175 Å²	175	154.1 Å²	154.1	82%	0.818	80%	0.796	S	S	*	*			trans	-87.7	151.5	176.4	-65.2	166.4	124.8	0	0	110.4
724	Y	28.3	Very low	27.8	Very low	220 Å²	220	154.4 Å²	154.4	86%	0.863	80%	0.798	S	S	*	*			trans	-141	114.2	151.3	-87.6	-80	0	0	0	108.9
725	T	24.6	Very low	27.8	Very low	126 Å²	126	155.1 Å²	155.1	77%	0.773	80%	0.801	S	S	*	*			trans	-101.2	151.7	163.6	39.3	0	0	0	0	109.5
726	L	28.1	Very low	27.5	Very low	154 Å²	154	153.3 Å²	153.3	81%	0.806	80%	0.8	S	S	*	*			trans	-175.7	111.9	149.1	-100.6	160	0	0	0	108.4
727	D	26.3	Very low	27.7	Very low	142 Å²	142	154.8 Å²	154.8	76%	0.759	80%	0.802	S	S	*	*				30.1	144.7	120	-56.6	-18.8	0	0	0	119.4
728	S	27.3	Very low	27.3	Very low	89 Å²	89	152.3 Å²	152.3	62%	0.622	80%	0.802	S	S	*	*			cis	-167.3	-179	-1.7	43.1	0	0	0	0	110.9
729	D	30	Very low	27.3	Very low	127 Å²	127	151 Å²	151	68%	0.679	81%	0.808	S	S	*	*			trans	96	113	147.7	-58.9	-42.2	0	0	0	122.2
730	T	30.6	Very low	27	Very low	120 Å²	120	149.8 Å²	149.8	74%	0.736	81%	0.807	S	S	*	*			trans	67.2	140.9	138.7	61.3	0	0	0	0	118.5
731	E	27.2	Very low	26.9	Very low	188 Å²	188	145 Å²	145	88%	0.879	80%	0.798	S	S	*	*			cis	175.1	145.2	-11.7	-111.6	-173.9	162.2	0	0	101.8
732	G	29.6	Very low	26.9	Very low	76 Å²	76	150.7 Å²	150.7	78%	0.784	80%	0.802	S	S	*	*			trans	165.7	58.1	178.9	0	0	0	0	0	121.1
733	N	31.9	Very low	26.8	Very low	167 Å²	167	149.2 Å²	149.2	89%	0.893	80%	0.8	S	S	*	*			trans	64.4	123.5	155.1	-76.7	-34.8	0	0	0	121.5
734	E	24.8	Very low	26.8	Very low	180 Å²	180	148.3 Å²	148.3	84%	0.841	80%	0.799	S	S	*	*			trans	-61.9	154.8	163	-49.3	170.2	117.6	0	0	113.3
735	K	30.2	Very low	26.8	Very low	209 Å²	209	142.7 Å²	142.7	91%	0.909	79%	0.79	S	S	*	*			trans	-162.4	108.3	132.2	-110.1	162.6	-169.2	174.7	0	111.2
736	S	23.2	Very low	27	Very low	109 Å²	109	144.9 Å²	144.9	76%	0.762	79%	0.791	S	S	*	*			trans	-80.9	155	160.4	76.1	0	0	0	0	109.8
737	I	27	Very low	27	Very low	163 Å²	163	144.4 Å²	144.4	84%	0.836	79%	0.788	S	S	*	*			trans	-164	118.6	142.2	-100.1	148.6	0	0	0	110.9
738	C	22.7	Very low	27.1	Very low	119 Å²	119	142.9 Å²	142.9	80%	0.804	79%	0.788	S	S	*	*			trans	22.2	146.4	144.5	-141.8	0	0	0	0	124.2
739	C	25	Very low	27	Very low	116 Å²	116	143.7 Å²	143.7	78%	0.784	80%	0.801	S	S	*	*			trans	-58.2	153.1	171.2	-54	0	0	0	0	115.2
740	K	24.8	Very low	26.9	Very low	208 Å²	208	141 Å²	141	90%	0.904	80%	0.802	S	S	*	*				-157	143.9	128.2	-111.7	164.1	-173	178	0	113.2
741	S	24.2	Very low	26.8	Very low	97 Å²	97	143.1 Å²	143.1	68%	0.678	80%	0.804	S	S	*	*			trans	-59.2	152.1	172.8	48.8	0	0	0	0	114
742	F	26.3	Very low	26.9	Very low	195 Å²	195	141.7 Å²	141.7	86%	0.855	80%	0.8	S	S	*	*			trans	-159.9	153.5	133.7	-112.2	-78.9	0	0	0	112.4
743	L	26.4	Very low	26.8	Very low	154 Å²	154	143.9 Å²	143.9	81%	0.806	79%	0.791	S	S	*	*			trans	-54.7	151.2	-166.1	-73.9	123.4	0	0	0	119
744	L	24.5	Very low	26.5	Very low	155 Å²	155	144.2 Å²	144.2	81%	0.812	79%	0.787	S	S	*	*			trans	-84	144.7	156.1	-76	168.1	0	0	0	109.5
745	P	29.3	Very low	26.5	Very low	102 Å²	102	143 Å²	143	66%	0.662	77%	0.774	S	S	*	*				-141	-177.3	82.8	28.9	-7.7	0	0	0	115.1
746	H	27.2	Very low	26.4	Very low	173 Å²	173	138 Å²	138	80%	0.801	76%	0.761	S	S	*	*			trans	78.8	89.1	174.1	-50.2	-79	0	0	0	118.1
747	I	28.7	Very low	26.5	Very low	143 Å²	143	139 Å²	139	73%	0.733	76%	0.763	S	S	*	*			trans	-127.9	136	140.9	-63.1	-175	0	0	0	107.6
748	S	27.6	Very low	26.4	Very low	110 Å²	110	135.8 Å²	135.8	77%	0.769	75%	0.745	S	S	*	*			trans	-81	170.7	-172.8	45.8	0	0	0	0	113.2	G750	S748-G750 PolarHBondContact O-N 3.27Å
749	A	26.8	Very low	26.7	Very low	107 Å²	107	134.5 Å²	134.5	88%	0.884	74%	0.736	S	S	*	*	S	Bend	trans	-67.3	102.3	-179.6	0	0	0	0	0	112.1
750	G	27.6	Very low	26.9	Very low	69 Å²	69	135.8 Å²	135.8	71%	0.711	74%	0.743	S	S	*	*			trans	-153	-11.5	178.1	0	0	0	0	0	118	S748	S748-G750 PolarHBondContact O-N 3.27Å
751	E	27.5	Very low	27.5	Very low	166 Å²	166	127.5 Å²	127.5	78%	0.776	72%	0.716	S	S	*	*			trans	-126.2	51	-162.8	-59.6	-174.8	122	0	0	115
752	I	29.6	Very low	28.4	Very low	157 Å²	157	123.7 Å²	123.7	81%	0.805	69%	0.692	S	S	*	*			trans	-111.8	17.4	-171.3	-54.8	-176.6	0	0	0	114.4
753	E	27.9	Very low	29.4	Very low	123 Å²	123	114.8 Å²	114.8	58%	0.575	66%	0.656	S	S	*	*			trans	-129.5	68.2	178.7	-65.3	-159.5	151.1	0	0	115.2	L182	L182-E753 WeakPolarHBondContact CD2-OE2 3.49Å
754	Q	25.1	Very low	30.8	Very low	174 Å²	174	110.2 Å²	110.2	81%	0.813	64%	0.64	S	S	*	*			trans	-144.5	57.7	167.6	-75.3	-164.6	-15.2	0	0	113.9
755	W	25.9	Very low	32.5	Very low	154 Å²	154	106.1 Å²	106.1	58%	0.583	62%	0.621	S	S	*	*			trans	-142	132.6	171.8	-62.7	80.7	0	0	0	111.7	F817 R953	W755-F817 HydrophobicContact CE3-CE1 4.13Å; W755-F817 HydrophobicContact CE3-CZ 4.22Å; W755-F817 AromaticContact CH2-CD1 3.5Å; W755-F817 HydrophobicContact CH2-CD1 3.5Å; W755-F817 AromaticContact CH2-CE1 3.08Å; W755-F817 HydrophobicContact CH2-CE1 3.08Å; W755-F817 AromaticContact CH2-CZ 3.97Å; W755-F817 HydrophobicContact CH2-CZ 3.97Å; W755-F817 HydrophobicContact CZ2-CD1 4.45Å; W755-F817 AromaticContact CZ2-CE1 3.7Å; W755-F817 HydrophobicContact CZ2-CE1 3.7Å; W755-F817 HydrophobicContact CZ2-CZ 4.47Å; W755-F817 AromaticContact CZ3-CD1 3.75Å; W755-F817 HydrophobicContact CZ3-CD1 3.75Å; W755-F817 AromaticContact CZ3-CE1 3.35Å; W755-F817 HydrophobicContact CZ3-CE1 3.35Å; W755-F817 AromaticContact CZ3-CZ 3.83Å; W755-F817 HydrophobicContact CZ3-CZ 3.83Å; W755-R953 VanDerWaalsContact CZ3-NH2 3.27Å
756	V	26.7	Very low	34	Very low	104 Å²	104	101.2 Å²	101.2	63%	0.63	59%	0.59	S	S	*	*	S	Bend	trans	102.9	75.1	177.1	-171.7	0	0	0	0	115.8
757	T	25.9	Very low	35.8	Very low	130 Å²	130	93.9 Å²	93.9	80%	0.798	56%	0.559	S	S	*	*				175.6	102	120.9	38.1	0	0	0	0	108.6
758	M	25.9	Very low	38.1	Very low	95 Å²	95	93.5 Å²	93.5	47%	0.468	55%	0.554	S	S	.	*			trans	-86.9	146.4	175.2	-86.3	-95	-72.5	0	0	111.1	F791 F817	M758-F791 HydrophobicContact CE-CD1 4.29Å; M758-F791 HydrophobicContact CE-CE1 3.83Å; M758-F817 HydrophobicContact CE-CD2 3.93Å; M758-F817 HydrophobicContact CG-CD2 4.13Å; M758-F817 HydrophobicContact CG-CE2 3.94Å; M758-F817 HydrophobicContact SD-CD2 3.55Å; M758-F817 VanDerWaalsContact SD-CD2 3.55Å; M758-F817 HydrophobicContact SD-CE2 3.63Å
759	P	27	Very low	40.6	Very low	93 Å²	93	90 Å²	90	60%	0.604	53%	0.527	S	S	*	.			trans	-66.4	141.9	172.5	-15.4	29.2	0	0	0	111.5	G761	P759-G761 PolarHBondContact O-N 2.88Å
760	P	30.2	Very low	43.4	Very low	143 Å²	143	85.2 Å²	85.2	93%	0.929	49%	0.486	S	S	*	.	S	Bend	trans	-74	92.3	171.1	30.5	-32.9	0	0	0	110.1
761	G	38.3	Very low	46.2	Very low	33 Å²	33	87.7 Å²	87.7	34%	0.34	48%	0.479	S	S	.	.			trans	-146.7	-54.1	-176.9	0	0	0	0	0	116.1	P759 G763 A764 T765	P759-G761 PolarHBondContact O-N 2.88Å; G761-G763 PolarHBondContact O-N 2.89Å; G761-G763 VanDerWaalsContact O-N 3.12Å; G761-A764 PolarHBondContact O-N 3.03Å; G761-T765 PolarHBondContact O-N 2.88Å
762	G	43.1	Very low	49.1	Very low	17 Å²	17	87.6 Å²	87.6	18%	0.175	48%	0.476	C	S	.	.	H	α-helix	trans	-51	-44.5	-165.1	0	0	0	0	0	115.8	A764 T765 A766 I812	G762-A764 PolarHBondContact O-N 3.26Å; G762-T765 PolarHBondContact O-N 3.24Å; G762-A766 WeakPolarHBondContact O-CB 3.25Å; G762-A766 PolarHBondContact O-N 3.44Å; G762-I812 WeakPolarHBondContact O-CD1 3.37Å
763	G	45.9	Very low	52	Low	9 Å²	9	82.4 Å²	82.4	9%	0.093	46%	0.461	C	S	.	.	H	α-helix	trans	-65.9	-29.6	178.6	0	0	0	0	0	115.8	G761 A767 G789 G790	G761-G763 PolarHBondContact O-N 2.89Å; G761-G763 VanDerWaalsContact O-N 3.12Å; G763-A767 VanDerWaalsContact O-CB 3.25Å; G763-A767 WeakPolarHBondContact O-CB 3.35Å; G763-A767 PolarHBondContact O-N 3.28Å; G763-A767 VanDerWaalsContact O-N 3.15Å; G763-G789 WeakPolarHBondContact CA-O 3.39Å; G763-G790 PolarHBondContact N-O 2.93Å
764	A	55.4	Low	55	Low	57 Å²	57	80 Å²	80	47%	0.471	45%	0.449	S	S	.	.	H	α-helix	trans	-76.2	-41.1	177.8	0	0	0	0	0	110.8	G761 G762 A767 Q768	G761-A764 PolarHBondContact O-N 3.03Å; G762-A764 PolarHBondContact O-N 3.26Å; A764-A767 PolarHBondContact O-N 3.04Å; A764-Q768 WeakPolarHBondContact O-CG 3.4Å; A764-Q768 PolarHBondContact O-N 2.82Å
765	T	61.2	Low	58.2	Low	69 Å²	69	74.7 Å²	74.7	42%	0.423	43%	0.429	S	S	.	.	H	α-helix	trans	-65.2	-43	173.5	-46.3	0	0	0	0	111	G761 G762 A767 Q768 L769 I812	G761-T765 PolarHBondContact O-N 2.88Å; G762-T765 PolarHBondContact O-N 3.24Å; T765-A767 VanDerWaalsContact C-N 3.32Å; T765-A767 PolarHBondContact O-N 2.77Å; T765-Q768 WeakPolarHBondContact O-CB 3.14Å; T765-Q768 PolarHBondContact O-N 2.95Å; T765-L769 PolarHBondContact O-N 3.05Å; T765-I812 HydrophobicContact CG2-CD1 3.88Å
766	A	60.4	Low	61.3	Low	0 Å²	0	67.5 Å²	67.5	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-62.5	-40.4	178.7	0	0	0	0	0	111.7	G762 Q768 L769 A793 I810 I812	G762-A766 WeakPolarHBondContact O-CB 3.25Å; G762-A766 PolarHBondContact O-N 3.44Å; A766-Q768 PolarHBondContact O-N 3.3Å; A766-L769 PolarHBondContact O-N 3.03Å; A766-A793 HydrophobicContact CB-CB 3.99Å; A766-I810 HydrophobicContact CB-CD1 4.41Å; A766-I810 HydrophobicContact CB-CG1 4.44Å; A766-I812 HydrophobicContact CB-CD1 4Å; A766-I812 HydrophobicContact CB-CG1 3.99Å
767	A	65.9	Low	64.4	Low	19 Å²	19	65.5 Å²	65.5	16%	0.157	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.9	174.1	0	0	0	0	0	113.9	G763 A764 T765 M785 K788	G763-A767 VanDerWaalsContact O-CB 3.25Å; G763-A767 WeakPolarHBondContact O-CB 3.35Å; G763-A767 PolarHBondContact O-N 3.28Å; G763-A767 VanDerWaalsContact O-N 3.15Å; A764-A767 PolarHBondContact O-N 3.04Å; T765-A767 VanDerWaalsContact C-N 3.32Å; T765-A767 PolarHBondContact O-N 2.77Å; A767-M785 HydrophobicContact CB-CE 3.55Å; A767-M785 HydrophobicContact CB-SD 3.87Å; A767-M785 WeakPolarHBondContact O-CE 3.4Å; A767-K788 HydrophobicContact CB-CD 4.47Å
768	Q	76.4	Confident	67.5	Low	135 Å²	135	65.8 Å²	65.8	63%	0.631	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-10.6	178.4	-69.1	170.8	-25.3	0	0	113.6	A764 T765 A766 H771	A764-Q768 WeakPolarHBondContact O-CG 3.4Å; A764-Q768 PolarHBondContact O-N 2.82Å; T765-Q768 WeakPolarHBondContact O-CB 3.14Å; T765-Q768 PolarHBondContact O-N 2.95Å; A766-Q768 PolarHBondContact O-N 3.3Å; Q768-H771 PolarHBondContact O-CE1 2.94Å
769	L	80.6	Confident	70.8	Confident	37 Å²	37	64 Å²	64	19%	0.194	37%	0.372	C	S	.	.	S	Bend	trans	-77.6	-21.7	-177	-72.1	176.9	0	0	0	114.6	T765 A766 I810 I812 L849 F850	T765-L769 PolarHBondContact O-N 3.05Å; A766-L769 PolarHBondContact O-N 3.03Å; L769-I810 HydrophobicContact CB-CD1 4.32Å; L769-I812 HydrophobicContact CD1-CD1 4.35Å; L769-I812 HydrophobicContact CD1-CG1 3.99Å; L769-L849 HydrophobicContact CD2-CB 4.32Å; L769-L849 HydrophobicContact CD2-CD1 3.85Å; L769-F850 HydrophobicContact CD1-CB 4.24Å; L769-F850 HydrophobicContact CD1-CD1 4.16Å
770	L	85	Confident	74.1	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.026	35%	0.346	C	S	.	.			trans	-129.8	130.4	-178.6	-67.3	-179.5	0	0	0	111.5	Q774 V776 V782 F795 M808 I810 F850	L770-Q774 VanDerWaalsContact CA-OE1 3.3Å; L770-Q774 HydrophobicContact CD2-CG 4.48Å; L770-V776 HydrophobicContact CD1-CG2 4.35Å; L770-V776 HydrophobicContact CD2-CG2 3.83Å; L770-V782 HydrophobicContact CB-CG2 4.36Å; L770-V782 HydrophobicContact CD1-CG2 4.25Å; L770-F795 HydrophobicContact CB-CD1 4.45Å; L770-F795 HydrophobicContact CB-CE1 3.94Å; L770-F795 HydrophobicContact CB-CE2 4.12Å; L770-F795 HydrophobicContact CB-CZ 3.77Å; L770-F795 HydrophobicContact CD1-CD2 3.99Å; L770-F795 HydrophobicContact CD1-CE2 3.95Å; L770-F795 HydrophobicContact CD1-CZ 4.46Å; L770-F795 HydrophobicContact CG-CE2 4.46Å; L770-M808 HydrophobicContact CD1-SD 4.05Å; L770-I810 HydrophobicContact CD1-CD1 4.09Å; L770-I810 HydrophobicContact CD1-CG2 3.94Å; L770-I810 HydrophobicContact CG-CD1 4.28Å; L770-F850 HydrophobicContact CD2-CE1 4.3Å; L770-F850 HydrophobicContact CD2-CZ 3.96Å; L770-F850 HydrophobicContact CG-CZ 4.5Å
771	H	86.2	Confident	77.3	Confident	121 Å²	121	55 Å²	55	56%	0.56	31%	0.311	S	S	*	.			trans	-112.4	156.5	179.7	-56.4	-56	0	0	0	112.1	Q768 G773 Q774 V782	Q768-H771 PolarHBondContact O-CE1 2.94Å; H771-G773 PolarHBondContact O-N 3.15Å; H771-Q774 WeakPolarHBondContact O-CB 3.48Å; H771-Q774 PolarHBondContact O-N 3.18Å; H771-Q774 VanDerWaalsContact O-N 3.12Å; H771-V782 WeakPolarHBondContact O-CB 3.41Å; H771-V782 WeakPolarHBondContact O-CG1 3.26Å
772	K	88.9	Confident	79.9	Confident	165 Å²	165	53.4 Å²	53.4	72%	0.717	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	133	175.8	179.4	172.3	-171.8	176.6	0	110.7	Q774 V782 E783	K772-Q774 VanDerWaalsContact C-N 3.33Å; K772-V782 CarbonylContact C-O 3.08Å; K772-V782 WeakPolarHBondContact CA-O 3.15Å; K772-E783 WeakPolarHBondContact CD-O 3.26Å; K772-E783 VanDerWaalsContact CE-O 3.26Å; K772-E783 WeakPolarHBondContact CE-O 3.27Å; K772-E783 VanDerWaalsContact CG-O 3.27Å; K772-E783 WeakPolarHBondContact CG-O 3.17Å
773	G	89.3	Confident	82.3	Confident	47 Å²	47	55.6 Å²	55.6	49%	0.485	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-12.7	-177.1	0	0	0	0	0	114.5	H771 V782	H771-G773 PolarHBondContact O-N 3.15Å; G773-V782 PolarHBondContact N-O 2.91Å
774	Q	91.3	Very high	84.4	Confident	73 Å²	73	60.1 Å²	60.1	34%	0.341	32%	0.318	S	S	.	.			trans	-66.2	139.8	177.6	-172.8	173.5	-4.5	0	0	111.2	L770 H771 K772 V781 V782	L770-Q774 VanDerWaalsContact CA-OE1 3.3Å; L770-Q774 HydrophobicContact CD2-CG 4.48Å; H771-Q774 WeakPolarHBondContact O-CB 3.48Å; H771-Q774 PolarHBondContact O-N 3.18Å; H771-Q774 VanDerWaalsContact O-N 3.12Å; K772-Q774 VanDerWaalsContact C-N 3.33Å; Q774-V781 WeakPolarHBondContact O-CA 3.38Å; Q774-V782 PolarHBondContact O-N 3.12Å
775	V	93	Very high	85.8	Confident	62 Å²	62	61.2 Å²	61.2	38%	0.376	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.2	177.8	-168.2	0	0	0	0	109.9	D778 W780 V781 K800	V775-D778 VanDerWaalsContact CG1-C 3.47Å; V775-W780 CarbonylContact C-O 3.06Å; V775-W780 WeakPolarHBondContact CA-O 3.41Å; V775-V781 HydrophobicContact CG2-CG2 4.35Å; V775-K800 HydrophobicContact CG1-CD 4.02Å
776	V	91.8	Very high	86.9	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.4	174.9	-175.6	0	0	0	0	109.2	L770 D778 R779 W780 V782 M808 F852	L770-V776 HydrophobicContact CD1-CG2 4.35Å; L770-V776 HydrophobicContact CD2-CG2 3.83Å; V776-D778 PolarHBondContact O-N 3.44Å; V776-D778 VanDerWaalsContact O-N 3.16Å; V776-R779 PolarHBondContact O-N 2.85Å; V776-R779 VanDerWaalsContact O-N 3.12Å; V776-W780 PolarHBondContact N-O 3.39Å; V776-W780 PolarHBondContact O-N 2.8Å; V776-V782 HydrophobicContact CG2-CG2 4.33Å; V776-M808 HydrophobicContact CB-CE 3.87Å; V776-M808 HydrophobicContact CB-SD 4.38Å; V776-M808 HydrophobicContact CG1-CE 4.02Å; V776-M808 HydrophobicContact CG1-SD 4.36Å; V776-M808 HydrophobicContact CG2-CE 4.16Å; V776-M808 HydrophobicContact CG2-SD 4.09Å; V776-F852 HydrophobicContact CG1-CD1 4.19Å; V776-F852 HydrophobicContact CG1-CE1 3.71Å; V776-F852 HydrophobicContact CG1-CE2 4.32Å; V776-F852 HydrophobicContact CG1-CZ 3.79Å
777	D	91.2	Very high	87.6	Confident	62 Å²	62	59.7 Å²	59.7	33%	0.332	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	40.6	-177.3	-78.3	6	0	0	0	113.3	R779 W780 K847 F852	D777-R779 WeakPolarHBondContact O-CB 3.48Å; D777-R779 PolarHBondContact O-N 3.17Å; D777-W780 HydrophobicContact CB-CE3 4.11Å; D777-W780 HydrophobicContact CB-CZ3 3.82Å; D777-K847 WeakPolarHBondContact OD1-CE 3.45Å; D777-K847 IonicContact OD1-NZ 3.21Å; D777-K847 PolarHBondContact OD1-NZ 3.22Å; D777-F852 HydrophobicContact CB-CZ 4.33Å; D777-F852 VanDerWaalsContact OD2-CZ 3.31Å; D777-F852 WeakPolarHBondContact OD2-CZ 3.46Å
778	D	90.9	Very high	87.9	Confident	136 Å²	136	65.6 Å²	65.6	73%	0.727	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	4.7	-178.8	-57.2	-51.8	0	0	0	116.2	V775 V776 K800	V775-D778 VanDerWaalsContact CG1-C 3.47Å; V776-D778 PolarHBondContact O-N 3.44Å; V776-D778 VanDerWaalsContact O-N 3.16Å; D778-K800 WeakPolarHBondContact O-CD 3.43Å; D778-K800 PolarHBondContact O-NZ 3.39Å
779	R	94.8	Very high	87.2	Confident	57 Å²	57	59.7 Å²	59.7	22%	0.215	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-44	-165.9	-178.6	174.7	178.2	-156	-5.6	113.6	V776 D777 D799 K800 K801 T842	V776-R779 PolarHBondContact O-N 2.85Å; V776-R779 VanDerWaalsContact O-N 3.12Å; D777-R779 WeakPolarHBondContact O-CB 3.48Å; D777-R779 PolarHBondContact O-N 3.17Å; R779-D799 WeakPolarHBondContact CG-OD1 3.25Å; R779-D799 IonicContact CZ-OD1 3.69Å; R779-D799 IonicContact CZ-OD2 3.99Å; R779-D799 VanDerWaalsContact NE-CG 3.33Å; R779-D799 IonicContact NE-OD1 3.61Å; R779-D799 PolarHBondContact NE-OD1 3.47Å; R779-D799 IonicContact NE-OD2 2.72Å; R779-D799 PolarHBondContact NE-OD2 3.32Å; R779-D799 IonicContact NH2-OD1 2.69Å; R779-D799 IonicContact NH2-OD2 2.76Å; R779-D799 PolarHBondContact NH2-OD2 3.46Å; R779-K800 VanDerWaalsContact O-CB 3.32Å; R779-K800 WeakPolarHBondContact O-CB 3.42Å; R779-K800 VanDerWaalsContact O-CG 3.3Å; R779-K800 WeakPolarHBondContact O-CG 3.21Å; R779-K800 PolarHBondContact O-N 2.92Å; R779-K801 HydrophobicContact CG-CD 4.45Å; R779-K801 HydrophobicContact CG-CG 4.29Å; R779-T842 PolarHBondContact NH1-O 2.88Å
780	W	96.5	Very high	86	Confident	13 Å²	13	60.2 Å²	60.2	5%	0.049	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.3	-171.5	-63.5	-76.4	0	0	0	111.4	V775 V776 D777 V797 T798 M808 F852 V854	V775-W780 CarbonylContact C-O 3.06Å; V775-W780 WeakPolarHBondContact CA-O 3.41Å; V776-W780 PolarHBondContact N-O 3.39Å; V776-W780 PolarHBondContact O-N 2.8Å; D777-W780 HydrophobicContact CB-CE3 4.11Å; D777-W780 HydrophobicContact CB-CZ3 3.82Å; W780-V797 HydrophobicContact CB-CB 4.22Å; W780-V797 HydrophobicContact CB-CG2 4.24Å; W780-V797 HydrophobicContact CG-CG2 4.36Å; W780-T798 WeakPolarHBondContact CA-O 3.45Å; W780-M808 HydrophobicContact CB-CE 3.63Å; W780-M808 HydrophobicContact CD2-CE 4.25Å; W780-M808 HydrophobicContact CE3-CE 4.31Å; W780-M808 HydrophobicContact CG-CE 3.99Å; W780-F852 HydrophobicContact CE3-CE2 4.01Å; W780-F852 HydrophobicContact CE3-CZ 4.29Å; W780-F852 HydrophobicContact CH2-CE2 4.39Å; W780-F852 AromaticContact CZ3-CE2 3.75Å; W780-F852 HydrophobicContact CZ3-CE2 3.75Å; W780-F852 AromaticContact CZ3-CZ 3.92Å; W780-F852 HydrophobicContact CZ3-CZ 3.92Å; W780-V854 HydrophobicContact CD2-CG2 3.91Å; W780-V854 HydrophobicContact CE3-CG2 4.31Å; W780-V854 HydrophobicContact CG-CG2 4.27Å; W780-V854 HydrophobicContact CZ2-CB 4.35Å; W780-V854 HydrophobicContact CZ2-CG2 4.11Å
781	V	96.3	Very high	84.8	Confident	33 Å²	33	63.4 Å²	63.4	20%	0.2	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.2	175.3	-171.9	0	0	0	0	109.4	Q774 V775 E783 V797 T798 K800	Q774-V781 WeakPolarHBondContact O-CA 3.38Å; V775-V781 HydrophobicContact CG2-CG2 4.35Å; V781-E783 PolarHBondContact O-N 3.44Å; V781-V797 CarbonylContact O-C 3.57Å; V781-V797 WeakPolarHBondContact O-CA 3.2Å; V781-V797 WeakPolarHBondContact O-CB 3.06Å; V781-T798 PolarHBondContact N-O 2.8Å; V781-T798 PolarHBondContact O-N 3.45Å; V781-K800 HydrophobicContact CG2-CD 3.84Å; V781-K800 HydrophobicContact CG2-CG 3.69Å
782	V	94.6	Very high	84.2	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	117.7	178.1	176.5	0	0	0	0	110.7	L770 H771 K772 G773 Q774 V776 F795 V797	L770-V782 HydrophobicContact CB-CG2 4.36Å; L770-V782 HydrophobicContact CD1-CG2 4.25Å; H771-V782 WeakPolarHBondContact O-CB 3.41Å; H771-V782 WeakPolarHBondContact O-CG1 3.26Å; K772-V782 CarbonylContact C-O 3.08Å; K772-V782 WeakPolarHBondContact CA-O 3.15Å; G773-V782 PolarHBondContact N-O 2.91Å; Q774-V782 PolarHBondContact O-N 3.12Å; V776-V782 HydrophobicContact CG2-CG2 4.33Å; V782-F795 HydrophobicContact CG1-CB 4.21Å; V782-F795 HydrophobicContact CG1-CD1 3.73Å; V782-F795 HydrophobicContact CG1-CE1 4.49Å; V782-F795 HydrophobicContact CG1-CG 4.21Å; V782-V797 HydrophobicContact CG2-CG1 4.31Å
783	E	92.8	Very high	84	Confident	62 Å²	62	49.8 Å²	49.8	29%	0.29	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-49.4	-177.7	-66.1	-63.8	166.5	0	0	112.8	K772 V781 E796 T798	K772-E783 WeakPolarHBondContact CD-O 3.26Å; K772-E783 VanDerWaalsContact CE-O 3.26Å; K772-E783 WeakPolarHBondContact CE-O 3.27Å; K772-E783 VanDerWaalsContact CG-O 3.27Å; K772-E783 WeakPolarHBondContact CG-O 3.17Å; V781-E783 PolarHBondContact O-N 3.44Å; E783-E796 HydrophobicContact CB-CB 4.37Å; E783-E796 HydrophobicContact CB-CG 4.4Å; E783-E796 WeakPolarHBondContact CB-O 3.33Å; E783-E796 PolarHBondContact N-O 2.81Å; E783-T798 WeakPolarHBondContact CG-OG1 3.37Å; E783-T798 WeakPolarHBondContact OE1-CB 3.38Å; E783-T798 PolarHBondContact OE1-OG1 2.89Å
784	K	89.7	Confident	83.9	Confident	105 Å²	105	47.6 Å²	47.6	46%	0.457	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	159	179	57.8	173.7	176.8	176.5	0	110.9	F795 E796	K784-F795 CarbonylContact O-C 3.48Å; K784-F795 VanDerWaalsContact O-CA 3.24Å; K784-F795 WeakPolarHBondContact O-CA 3.38Å; K784-E796 WeakPolarHBondContact CE-OE2 3.34Å; K784-E796 HydrophobicContact CG-CB 3.91Å; K784-E796 IonicContact NZ-OE2 2.98Å; K784-E796 PolarHBondContact NZ-OE2 3.26Å; K784-E796 PolarHBondContact O-N 3.08Å
785	M	84.5	Confident	84	Confident	80 Å²	80	44.2 Å²	44.2	39%	0.394	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	133	169.3	-164.8	-178.2	-58.6	0	0	110.2	A767 F795	A767-M785 HydrophobicContact CB-CE 3.55Å; A767-M785 HydrophobicContact CB-SD 3.87Å; A767-M785 WeakPolarHBondContact O-CE 3.4Å; M785-F795 HydrophobicContact CB-CD1 4.02Å; M785-F795 HydrophobicContact CB-CE1 4.02Å; M785-F795 HydrophobicContact CE-CE1 3.73Å; M785-F795 HydrophobicContact CE-CZ 4Å; M785-F795 HydrophobicContact CG-CD1 4.25Å; M785-F795 HydrophobicContact CG-CE1 4.01Å; M785-F795 HydrophobicContact CG-CZ 4.43Å
786	L	84.5	Confident	84	Confident	27 Å²	27	41.6 Å²	41.6	14%	0.141	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-31.8	173.6	-64.1	175.8	0	0	0	111.6	V794 E796 A807 L857 N1091	L786-V794 HydrophobicContact CB-CG1 4.3Å; L786-V794 HydrophobicContact CD1-CG1 4.22Å; L786-V794 PolarHBondContact N-O 2.8Å; L786-E796 HydrophobicContact CD1-CB 4.06Å; L786-E796 HydrophobicContact CD2-CB 4.11Å; L786-E796 HydrophobicContact CG-CB 4.06Å; L786-A807 HydrophobicContact CD1-CB 4.44Å; L786-L857 HydrophobicContact CD1-CD1 3.56Å; L786-N1091 WeakPolarHBondContact O-CA 3.24Å; L786-N1091 VanDerWaalsContact O-CB 3.22Å; L786-N1091 WeakPolarHBondContact O-CB 3.33Å
787	G	75.3	Confident	84.2	Confident	9 Å²	9	41.4 Å²	41.4	9%	0.093	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	159.9	-176.7	0	0	0	0	0	114.4	A793 V794	G787-A793 CarbonylContact O-C 3.54Å; G787-A793 WeakPolarHBondContact O-CA 3.15Å; G787-V794 PolarHBondContact N-O 3.29Å; G787-V794 PolarHBondContact O-N 3.15Å
788	K	72	Confident	84.5	Confident	144 Å²	144	39.9 Å²	39.9	63%	0.626	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.8	168.5	67.6	-176.1	-178.4	-176.1	0	109.4	A767	A767-K788 HydrophobicContact CB-CD 4.47Å
789	G	62.3	Low	84.7	Confident	10 Å²	10	33.5 Å²	33.5	10%	0.103	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	174	177	0	0	0	0	0	110.5	G763 F791 G792	G763-G789 WeakPolarHBondContact CA-O 3.39Å; G789-F791 PolarHBondContact O-N 3.01Å; G789-G792 PolarHBondContact N-O 2.99Å; G789-G792 PolarHBondContact O-N 3.06Å
790	G	54.6	Low	84.6	Confident	49 Å²	49	36.8 Å²	36.8	51%	0.505	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.1	-169.1	0	0	0	0	0	116	G763	G763-G790 PolarHBondContact N-O 2.93Å
791	F	60.3	Low	84.4	Confident	71 Å²	71	44.2 Å²	44.2	31%	0.311	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-5.3	-173.2	-51.1	-84.7	0	0	0	114.1	M758 G789 F817	M758-F791 HydrophobicContact CE-CD1 4.29Å; M758-F791 HydrophobicContact CE-CE1 3.83Å; G789-F791 PolarHBondContact O-N 3.01Å; F791-F817 HydrophobicContact CD1-CB 4.22Å; F791-F817 HydrophobicContact CE1-CB 3.92Å; F791-F817 HydrophobicContact CE1-CD2 4.47Å
792	G	74.1	Confident	84.2	Confident	1 Å²	1	47 Å²	47	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	-171.8	-168.6	0	0	0	0	0	115.7	G789 I810 M1093	G789-G792 PolarHBondContact N-O 2.99Å; G789-G792 PolarHBondContact O-N 3.06Å; G792-I810 WeakPolarHBondContact CA-O 3.42Å; G792-M1093 WeakPolarHBondContact O-CE 3.44Å
793	A	83.9	Confident	84.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.5	177.7	0	0	0	0	0	111.2	A766 G787 F795 I810	A766-A793 HydrophobicContact CB-CB 3.99Å; G787-A793 CarbonylContact O-C 3.54Å; G787-A793 WeakPolarHBondContact O-CA 3.15Å; A793-F795 HydrophobicContact CB-CE2 3.68Å; A793-F795 HydrophobicContact CB-CZ 4.01Å; A793-I810 HydrophobicContact CB-CG1 4.28Å; A793-I810 PolarHBondContact N-O 3.33Å; A793-I810 PolarHBondContact O-N 2.88Å
794	V	88.6	Confident	84	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.3	176.5	-176.5	0	0	0	0	110.3	L786 G787 A807 M808 K809 M1092 M1093	L786-V794 HydrophobicContact CB-CG1 4.3Å; L786-V794 HydrophobicContact CD1-CG1 4.22Å; L786-V794 PolarHBondContact N-O 2.8Å; G787-V794 PolarHBondContact N-O 3.29Å; G787-V794 PolarHBondContact O-N 3.15Å; V794-A807 HydrophobicContact CG1-CB 4.32Å; V794-M808 CarbonylContact C-O 3.56Å; V794-M808 VanDerWaalsContact CA-O 3.27Å; V794-M808 WeakPolarHBondContact CA-O 2.97Å; V794-K809 HydrophobicContact CG2-CB 3.88Å; V794-K809 HydrophobicContact CG2-CD 4.38Å; V794-K809 HydrophobicContact CG2-CG 3.82Å; V794-M1092 HydrophobicContact CB-CB 4.2Å; V794-M1092 HydrophobicContact CG1-CB 3.85Å; V794-M1092 HydrophobicContact CG1-CG 4.38Å; V794-M1092 HydrophobicContact CG2-CB 3.83Å; V794-M1093 HydrophobicContact CG2-CG 3.72Å; V794-M1093 HydrophobicContact CG2-SD 3.66Å
795	F	92.2	Very high	84.2	Confident	3 Å²	3	52.9 Å²	52.9	1%	0.013	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.3	-179.2	-57.3	-96.4	0	0	0	110.8	L770 V782 K784 M785 A793 V797 A807 M808 I810	L770-F795 HydrophobicContact CB-CD1 4.45Å; L770-F795 HydrophobicContact CB-CE1 3.94Å; L770-F795 HydrophobicContact CB-CE2 4.12Å; L770-F795 HydrophobicContact CB-CZ 3.77Å; L770-F795 HydrophobicContact CD1-CD2 3.99Å; L770-F795 HydrophobicContact CD1-CE2 3.95Å; L770-F795 HydrophobicContact CD1-CZ 4.46Å; L770-F795 HydrophobicContact CG-CE2 4.46Å; V782-F795 HydrophobicContact CG1-CB 4.21Å; V782-F795 HydrophobicContact CG1-CD1 3.73Å; V782-F795 HydrophobicContact CG1-CE1 4.49Å; V782-F795 HydrophobicContact CG1-CG 4.21Å; K784-F795 CarbonylContact O-C 3.48Å; K784-F795 VanDerWaalsContact O-CA 3.24Å; K784-F795 WeakPolarHBondContact O-CA 3.38Å; M785-F795 HydrophobicContact CB-CD1 4.02Å; M785-F795 HydrophobicContact CB-CE1 4.02Å; M785-F795 HydrophobicContact CE-CE1 3.73Å; M785-F795 HydrophobicContact CE-CZ 4Å; M785-F795 HydrophobicContact CG-CD1 4.25Å; M785-F795 HydrophobicContact CG-CE1 4.01Å; M785-F795 HydrophobicContact CG-CZ 4.43Å; A793-F795 HydrophobicContact CB-CE2 3.68Å; A793-F795 HydrophobicContact CB-CZ 4.01Å; F795-V797 HydrophobicContact CB-CG1 4.25Å; F795-A807 CarbonylContact O-C 3.51Å; F795-A807 WeakPolarHBondContact O-CA 3.27Å; F795-M808 PolarHBondContact N-O 2.82Å; F795-M808 PolarHBondContact O-N 3.32Å; F795-I810 HydrophobicContact CE2-CD1 3.81Å; F795-I810 HydrophobicContact CE2-CG1 4.11Å
796	E	94.1	Very high	84.7	Confident	6 Å²	6	49.1 Å²	49.1	3%	0.028	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130	161	-174.1	165.4	154.8	0	0	107	E783 K784 L786 R805 L857 R918	E783-E796 HydrophobicContact CB-CB 4.37Å; E783-E796 HydrophobicContact CB-CG 4.4Å; E783-E796 WeakPolarHBondContact CB-O 3.33Å; E783-E796 PolarHBondContact N-O 2.81Å; K784-E796 WeakPolarHBondContact CE-OE2 3.34Å; K784-E796 HydrophobicContact CG-CB 3.91Å; K784-E796 IonicContact NZ-OE2 2.98Å; K784-E796 PolarHBondContact NZ-OE2 3.26Å; K784-E796 PolarHBondContact O-N 3.08Å; L786-E796 HydrophobicContact CD1-CB 4.06Å; L786-E796 HydrophobicContact CD2-CB 4.11Å; L786-E796 HydrophobicContact CG-CB 4.06Å; E796-R805 WeakPolarHBondContact OE1-CD 3.08Å; E796-R805 IonicContact OE1-CZ 2.82Å; E796-R805 IonicContact OE1-NE 3.56Å; E796-R805 IonicContact OE1-NH1 3.02Å; E796-R805 PolarHBondContact OE1-NH1 3.3Å; E796-L857 HydrophobicContact CG-CD1 4.47Å; E796-L857 HydrophobicContact CG-CD2 3.81Å; E796-R918 IonicContact OE2-NH2 3.31Å
797	V	95.9	Very high	85.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.6	-178.9	-58	0	0	0	0	111.6	W780 V781 V782 F795 R805 D806 M808 V854	W780-V797 HydrophobicContact CB-CB 4.22Å; W780-V797 HydrophobicContact CB-CG2 4.24Å; W780-V797 HydrophobicContact CG-CG2 4.36Å; V781-V797 CarbonylContact O-C 3.57Å; V781-V797 WeakPolarHBondContact O-CA 3.2Å; V781-V797 WeakPolarHBondContact O-CB 3.06Å; V782-V797 HydrophobicContact CG2-CG1 4.31Å; F795-V797 HydrophobicContact CB-CG1 4.25Å; V797-R805 CarbonylContact O-C 3.58Å; V797-R805 WeakPolarHBondContact O-CA 3.12Å; V797-D806 HydrophobicContact CG2-CB 4.06Å; V797-D806 PolarHBondContact N-O 2.94Å; V797-D806 PolarHBondContact O-N 2.9Å; V797-M808 HydrophobicContact CG1-CB 3.58Å; V797-M808 HydrophobicContact CG1-CE 4.15Å; V797-M808 HydrophobicContact CG1-SD 4.32Å; V797-M808 HydrophobicContact CG2-CB 4.05Å; V797-V854 HydrophobicContact CG2-CG1 3.79Å
798	T	96.7	Very high	86.1	Confident	31 Å²	31	47.5 Å²	47.5	19%	0.19	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.3	174	-56.4	0	0	0	0	109.6	W780 V781 E783 K800	W780-T798 WeakPolarHBondContact CA-O 3.45Å; V781-T798 PolarHBondContact N-O 2.8Å; V781-T798 PolarHBondContact O-N 3.45Å; E783-T798 WeakPolarHBondContact CG-OG1 3.37Å; E783-T798 WeakPolarHBondContact OE1-CB 3.38Å; E783-T798 PolarHBondContact OE1-OG1 2.89Å; T798-K800 PolarHBondContact O-N 3.19Å
799	D	95.3	Very high	87	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	109.7	174.3	174.7	12.8	0	0	0	110.6	R779 K801 T802 G803 R804	R779-D799 WeakPolarHBondContact CG-OD1 3.25Å; R779-D799 IonicContact CZ-OD1 3.69Å; R779-D799 IonicContact CZ-OD2 3.99Å; R779-D799 VanDerWaalsContact NE-CG 3.33Å; R779-D799 IonicContact NE-OD1 3.61Å; R779-D799 PolarHBondContact NE-OD1 3.47Å; R779-D799 IonicContact NE-OD2 2.72Å; R779-D799 PolarHBondContact NE-OD2 3.32Å; R779-D799 IonicContact NH2-OD1 2.69Å; R779-D799 IonicContact NH2-OD2 2.76Å; R779-D799 PolarHBondContact NH2-OD2 3.46Å; D799-K801 PolarHBondContact O-N 3.07Å; D799-K801 WeakPolarHBondContact OD1-CB 3.22Å; D799-K801 PolarHBondContact OD1-N 3.41Å; D799-T802 WeakPolarHBondContact CB-OG1 3.33Å; D799-T802 VanDerWaalsContact CG-OG1 3.24Å; D799-T802 PolarHBondContact O-N 3.15Å; D799-T802 VanDerWaalsContact O-N 3.12Å; D799-T802 WeakPolarHBondContact OD2-CG2 3.27Å; D799-T802 PolarHBondContact OD2-OG1 2.72Å; D799-G803 WeakPolarHBondContact O-CA 3.42Å; D799-G803 PolarHBondContact O-N 2.81Å; D799-R804 PolarHBondContact N-O 3.23Å
800	K	93	Very high	88.3	Confident	127 Å²	127	40.8 Å²	40.8	55%	0.552	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.8	178.8	-69.5	168.6	61.4	-166.4	0	113.8	V775 D778 R779 V781 T798	V775-K800 HydrophobicContact CG1-CD 4.02Å; D778-K800 WeakPolarHBondContact O-CD 3.43Å; D778-K800 PolarHBondContact O-NZ 3.39Å; R779-K800 VanDerWaalsContact O-CB 3.32Å; R779-K800 WeakPolarHBondContact O-CB 3.42Å; R779-K800 VanDerWaalsContact O-CG 3.3Å; R779-K800 WeakPolarHBondContact O-CG 3.21Å; R779-K800 PolarHBondContact O-N 2.92Å; V781-K800 HydrophobicContact CG2-CD 3.84Å; V781-K800 HydrophobicContact CG2-CG 3.69Å; T798-K800 PolarHBondContact O-N 3.19Å
801	K	91.7	Very high	89.8	Confident	168 Å²	168	39 Å²	39	73%	0.73	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-26.8	-179.5	-65.5	-171.2	178.3	-172.1	0	113.5	R779 D799	R779-K801 HydrophobicContact CG-CD 4.45Å; R779-K801 HydrophobicContact CG-CG 4.29Å; D799-K801 PolarHBondContact O-N 3.07Å; D799-K801 WeakPolarHBondContact OD1-CB 3.22Å; D799-K801 PolarHBondContact OD1-N 3.41Å
802	T	92.8	Very high	90.8	Very high	92 Å²	92	36.5 Å²	36.5	56%	0.564	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-13.5	-170.5	60.5	0	0	0	0	113.8	D799 R804	D799-T802 WeakPolarHBondContact CB-OG1 3.33Å; D799-T802 VanDerWaalsContact CG-OG1 3.24Å; D799-T802 PolarHBondContact O-N 3.15Å; D799-T802 VanDerWaalsContact O-N 3.12Å; D799-T802 WeakPolarHBondContact OD2-CG2 3.27Å; D799-T802 PolarHBondContact OD2-OG1 2.72Å; T802-R804 PolarHBondContact O-N 2.9Å; T802-R804 WeakPolarHBondContact OG1-CB 3.29Å; T802-R804 PolarHBondContact OG1-N 2.92Å
803	G	91.3	Very high	90.9	Very high	58 Å²	58	37.7 Å²	37.7	60%	0.598	19%	0.187	S	C	*	.			trans	68.9	0.8	-169.3	0	0	0	0	0	113.9	D799	D799-G803 WeakPolarHBondContact O-CA 3.42Å; D799-G803 PolarHBondContact O-N 2.81Å
804	R	92.2	Very high	90	Very high	100 Å²	100	42 Å²	42	38%	0.377	22%	0.223	S	C	.	.			trans	-74.1	140.6	-177.8	-166.3	168.1	78.5	175.8	-5.1	110.6	D799 T802 D806 E840	D799-R804 PolarHBondContact N-O 3.23Å; T802-R804 PolarHBondContact O-N 2.9Å; T802-R804 WeakPolarHBondContact OG1-CB 3.29Å; T802-R804 PolarHBondContact OG1-N 2.92Å; R804-D806 IonicContact CZ-OD1 3.44Å; R804-D806 IonicContact NE-OD1 3.27Å; R804-D806 PolarHBondContact NE-OD1 3.25Å; R804-D806 IonicContact NH2-OD1 2.77Å; R804-E840 IonicContact CZ-OE2 2.86Å; R804-E840 IonicContact NH1-OE2 3.95Å; R804-E840 PolarHBondContact NH1-OE2 2.78Å; R804-E840 IonicContact NH2-OE2 2.84Å
805	R	93.8	Very high	88.6	Confident	134 Å²	134	43.1 Å²	43.1	51%	0.506	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.7	170.1	-67	-170.4	-70.5	161.4	-15.3	110.1	E796 V797 L857	E796-R805 WeakPolarHBondContact OE1-CD 3.08Å; E796-R805 IonicContact OE1-CZ 2.82Å; E796-R805 IonicContact OE1-NE 3.56Å; E796-R805 IonicContact OE1-NH1 3.02Å; E796-R805 PolarHBondContact OE1-NH1 3.3Å; V797-R805 CarbonylContact O-C 3.58Å; V797-R805 WeakPolarHBondContact O-CA 3.12Å; R805-L857 HydrophobicContact CB-CD2 4.02Å; R805-L857 WeakPolarHBondContact O-CB 3.33Å
806	D	94.6	Very high	86.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	174.8	-179.7	-69.3	-24.1	0	0	0	110	V797 R804 T842 V854 M855	V797-D806 HydrophobicContact CG2-CB 4.06Å; V797-D806 PolarHBondContact N-O 2.94Å; V797-D806 PolarHBondContact O-N 2.9Å; R804-D806 IonicContact CZ-OD1 3.44Å; R804-D806 IonicContact NE-OD1 3.27Å; R804-D806 PolarHBondContact NE-OD1 3.25Å; R804-D806 IonicContact NH2-OD1 2.77Å; D806-T842 VanDerWaalsContact OD2-CB 3.26Å; D806-T842 WeakPolarHBondContact OD2-CB 3.49Å; D806-T842 VanDerWaalsContact OD2-CG2 3.22Å; D806-T842 WeakPolarHBondContact OD2-CG2 3.28Å; D806-T842 PolarHBondContact OD2-OG1 3.05Å; D806-V854 HydrophobicContact CB-CG1 3.53Å; D806-M855 WeakPolarHBondContact CB-O 3.26Å
807	A	93.9	Very high	84.9	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128	171.9	0	0	0	0	0	110.5	L786 V794 F795 V854 M855 L857 M1092	L786-A807 HydrophobicContact CD1-CB 4.44Å; V794-A807 HydrophobicContact CG1-CB 4.32Å; F795-A807 CarbonylContact O-C 3.51Å; F795-A807 WeakPolarHBondContact O-CA 3.27Å; A807-V854 WeakPolarHBondContact O-CA 3.42Å; A807-M855 PolarHBondContact N-O 3.01Å; A807-M855 PolarHBondContact O-N 3.42Å; A807-L857 HydrophobicContact CB-CD1 4.02Å; A807-M1092 HydrophobicContact CB-CE 3.87Å
808	M	94.4	Very high	83.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.9	176.2	-179.3	-178.8	-70.7	0	0	110.7	L770 V776 W780 V794 F795 V797 I810 F852 I853 V854	L770-M808 HydrophobicContact CD1-SD 4.05Å; V776-M808 HydrophobicContact CB-CE 3.87Å; V776-M808 HydrophobicContact CB-SD 4.38Å; V776-M808 HydrophobicContact CG1-CE 4.02Å; V776-M808 HydrophobicContact CG1-SD 4.36Å; V776-M808 HydrophobicContact CG2-CE 4.16Å; V776-M808 HydrophobicContact CG2-SD 4.09Å; W780-M808 HydrophobicContact CB-CE 3.63Å; W780-M808 HydrophobicContact CD2-CE 4.25Å; W780-M808 HydrophobicContact CE3-CE 4.31Å; W780-M808 HydrophobicContact CG-CE 3.99Å; V794-M808 CarbonylContact C-O 3.56Å; V794-M808 VanDerWaalsContact CA-O 3.27Å; V794-M808 WeakPolarHBondContact CA-O 2.97Å; F795-M808 PolarHBondContact N-O 2.82Å; F795-M808 PolarHBondContact O-N 3.32Å; V797-M808 HydrophobicContact CG1-CB 3.58Å; V797-M808 HydrophobicContact CG1-CE 4.15Å; V797-M808 HydrophobicContact CG1-SD 4.32Å; V797-M808 HydrophobicContact CG2-CB 4.05Å; M808-I810 HydrophobicContact CG-CG2 4.03Å; M808-I810 HydrophobicContact SD-CG2 4.26Å; M808-F852 HydrophobicContact CE-CD2 3.98Å; M808-F852 HydrophobicContact CE-CE2 4.12Å; M808-F852 HydrophobicContact CG-CB 4.18Å; M808-F852 HydrophobicContact CG-CD2 4.22Å; M808-F852 HydrophobicContact SD-CB 4.44Å; M808-F852 HydrophobicContact SD-CD2 4.22Å; M808-F852 HydrophobicContact SD-CG 4.41Å; M808-I853 CarbonylContact C-O 3.59Å; M808-I853 VanDerWaalsContact CA-O 3.31Å; M808-I853 WeakPolarHBondContact CA-O 3.33Å; M808-V854 HydrophobicContact CB-CG2 4.21Å; M808-V854 HydrophobicContact CE-CG2 3.53Å; M808-V854 HydrophobicContact CG-CG2 4.08Å
809	K	91.7	Very high	82.5	Confident	11 Å²	11	60 Å²	60	5%	0.048	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.1	173	-176.5	175	-176.9	-178.3	0	109.2	V794 L820 E823 F852 I853 D929 M1093	V794-K809 HydrophobicContact CG2-CB 3.88Å; V794-K809 HydrophobicContact CG2-CD 4.38Å; V794-K809 HydrophobicContact CG2-CG 3.82Å; K809-L820 HydrophobicContact CD-CD1 4.18Å; K809-L820 HydrophobicContact CG-CD1 4.13Å; K809-E823 WeakPolarHBondContact CD-OE2 3.43Å; K809-E823 VanDerWaalsContact CE-OE2 3.26Å; K809-E823 WeakPolarHBondContact CE-OE2 3.22Å; K809-E823 IonicContact NZ-OE1 3.81Å; K809-E823 PolarHBondContact NZ-OE1 3.32Å; K809-E823 IonicContact NZ-OE2 3.06Å; K809-E823 PolarHBondContact NZ-OE2 3.32Å; K809-F852 VanDerWaalsContact O-CA 3.26Å; K809-F852 WeakPolarHBondContact O-CA 3.43Å; K809-I853 HydrophobicContact CB-CG2 3.86Å; K809-I853 PolarHBondContact N-O 2.71Å; K809-I853 PolarHBondContact O-N 2.78Å; K809-D929 IonicContact NZ-OD1 2.78Å; K809-D929 PolarHBondContact NZ-OD1 2.73Å; K809-M1093 HydrophobicContact CD-SD 4.4Å; K809-M1093 HydrophobicContact CG-SD 4.26Å
810	I	90.1	Very high	81.9	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.7	179.9	75.4	171.9	0	0	0	112	A766 L769 L770 G792 A793 F795 M808 F850 C851 F852	A766-I810 HydrophobicContact CB-CD1 4.41Å; A766-I810 HydrophobicContact CB-CG1 4.44Å; L769-I810 HydrophobicContact CB-CD1 4.32Å; L770-I810 HydrophobicContact CD1-CD1 4.09Å; L770-I810 HydrophobicContact CD1-CG2 3.94Å; L770-I810 HydrophobicContact CG-CD1 4.28Å; G792-I810 WeakPolarHBondContact CA-O 3.42Å; A793-I810 HydrophobicContact CB-CG1 4.28Å; A793-I810 PolarHBondContact N-O 3.33Å; A793-I810 PolarHBondContact O-N 2.88Å; F795-I810 HydrophobicContact CE2-CD1 3.81Å; F795-I810 HydrophobicContact CE2-CG1 4.11Å; M808-I810 HydrophobicContact CG-CG2 4.03Å; M808-I810 HydrophobicContact SD-CG2 4.26Å; I810-F850 HydrophobicContact CB-CD2 4.03Å; I810-F850 HydrophobicContact CG2-CD2 3.98Å; I810-F850 HydrophobicContact CG2-CE2 4.17Å; I810-C851 VanDerWaalsContact CA-O 3.32Å; I810-C851 WeakPolarHBondContact CA-O 3.47Å; I810-F852 HydrophobicContact CB-CB 4.5Å; I810-F852 HydrophobicContact CG2-CB 3.8Å
811	E	84.8	Confident	81.6	Confident	11 Å²	11	62.2 Å²	62.2	5%	0.051	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.4	175.1	-178.5	171.4	-109.9	0	0	109.1	R818 T819 L820 F850 C851	E811-R818 VanDerWaalsContact OE2-CA 3.22Å; E811-R818 WeakPolarHBondContact OE2-CA 3.34Å; E811-R818 WeakPolarHBondContact OE2-CB 3.15Å; E811-T819 VanDerWaalsContact CD-N 3.33Å; E811-T819 PolarHBondContact OE1-N 3.41Å; E811-T819 PolarHBondContact OE1-OG1 2.84Å; E811-T819 PolarHBondContact OE2-N 3.04Å; E811-T819 VanDerWaalsContact OE2-N 3.07Å; E811-L820 HydrophobicContact CB-CB 3.99Å; E811-L820 HydrophobicContact CB-CD2 4.02Å; E811-L820 PolarHBondContact OE1-N 3.45Å; E811-L820 WeakPolarHBondContact OE2-CB 3.38Å; E811-L820 PolarHBondContact OE2-N 3.14Å; E811-F850 CarbonylContact O-C 3.59Å; E811-F850 VanDerWaalsContact O-CA 3.26Å; E811-F850 WeakPolarHBondContact O-CA 3.4Å; E811-F850 WeakPolarHBondContact O-CB 3.41Å; E811-C851 PolarHBondContact N-O 3.49Å; E811-C851 PolarHBondContact O-N 3.12Å
812	I	81.5	Confident	81.5	Confident	19 Å²	19	57 Å²	57	10%	0.097	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132	-174.3	-52.9	-179.4	0	0	0	110	G762 T765 A766 L769 A814 T815 L849	G762-I812 WeakPolarHBondContact O-CD1 3.37Å; T765-I812 HydrophobicContact CG2-CD1 3.88Å; A766-I812 HydrophobicContact CB-CD1 4Å; A766-I812 HydrophobicContact CB-CG1 3.99Å; L769-I812 HydrophobicContact CD1-CD1 4.35Å; L769-I812 HydrophobicContact CD1-CG1 3.99Å; I812-A814 HydrophobicContact CG2-CB 4.19Å; I812-A814 PolarHBondContact O-N 3.24Å; I812-A814 VanDerWaalsContact O-N 3.16Å; I812-T815 HydrophobicContact CB-CG2 4.2Å; I812-T815 PolarHBondContact O-N 2.69Å; I812-T815 PolarHBondContact O-OG1 3.3Å; I812-L849 WeakPolarHBondContact CG2-O 3.48Å
813	N	77.8	Confident	81.4	Confident	27 Å²	27	52.8 Å²	52.8	14%	0.144	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.6	-176.5	-78.6	-20.1	0	0	0	114.2	T815 R818 K847 E848 L849 C851	N813-T815 VanDerWaalsContact C-N 3.31Å; N813-T815 PolarHBondContact O-N 2.95Å; N813-R818 PolarHBondContact O-NH1 3.27Å; N813-K847 PolarHBondContact ND2-O 3.25Å; N813-E848 PolarHBondContact ND2-O 2.88Å; N813-L849 PolarHBondContact N-O 2.95Å; N813-C851 PolarHBondContact OD1-N 3.33Å; N813-C851 PolarHBondContact OD1-SG 2.87Å
814	A	64.1	Low	81.4	Confident	91 Å²	91	51.1 Å²	51.1	75%	0.752	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.5	-179.1	0	0	0	0	0	114.6	I812	I812-A814 HydrophobicContact CG2-CB 4.19Å; I812-A814 PolarHBondContact O-N 3.24Å; I812-A814 VanDerWaalsContact O-N 3.16Å
815	T	59.8	Low	81.5	Confident	22 Å²	22	49.7 Å²	49.7	14%	0.135	25%	0.253	C	S	.	.			trans	-85.2	134.6	175.7	58.3	0	0	0	0	111.8	I812 N813 F817 R818	I812-T815 HydrophobicContact CB-CG2 4.2Å; I812-T815 PolarHBondContact O-N 2.69Å; I812-T815 PolarHBondContact O-OG1 3.3Å; N813-T815 VanDerWaalsContact C-N 3.31Å; N813-T815 PolarHBondContact O-N 2.95Å; T815-F817 VanDerWaalsContact C-N 3.3Å; T815-F817 PolarHBondContact O-N 3.03Å; T815-R818 WeakPolarHBondContact O-CG 3.42Å
816	D	52.4	Low	81.5	Confident	146 Å²	146	43.4 Å²	43.4	78%	0.781	23%	0.229	S	C	*	.	S	Bend	trans	-64.7	-32.9	177.6	-65.6	-43.5	0	0	0	113	R818	D816-R818 PolarHBondContact O-N 2.66Å
817	F	56	Low	81.5	Confident	64 Å²	64	43.3 Å²	43.3	28%	0.281	23%	0.229	S	C	.	.			trans	-95.7	91	178.2	-60.6	-57.3	0	0	0	111.6	W755 M758 F791 T815	W755-F817 HydrophobicContact CE3-CE1 4.13Å; W755-F817 HydrophobicContact CE3-CZ 4.22Å; W755-F817 AromaticContact CH2-CD1 3.5Å; W755-F817 HydrophobicContact CH2-CD1 3.5Å; W755-F817 AromaticContact CH2-CE1 3.08Å; W755-F817 HydrophobicContact CH2-CE1 3.08Å; W755-F817 AromaticContact CH2-CZ 3.97Å; W755-F817 HydrophobicContact CH2-CZ 3.97Å; W755-F817 HydrophobicContact CZ2-CD1 4.45Å; W755-F817 AromaticContact CZ2-CE1 3.7Å; W755-F817 HydrophobicContact CZ2-CE1 3.7Å; W755-F817 HydrophobicContact CZ2-CZ 4.47Å; W755-F817 AromaticContact CZ3-CD1 3.75Å; W755-F817 HydrophobicContact CZ3-CD1 3.75Å; W755-F817 AromaticContact CZ3-CE1 3.35Å; W755-F817 HydrophobicContact CZ3-CE1 3.35Å; W755-F817 AromaticContact CZ3-CZ 3.83Å; W755-F817 HydrophobicContact CZ3-CZ 3.83Å; M758-F817 HydrophobicContact CE-CD2 3.93Å; M758-F817 HydrophobicContact CG-CD2 4.13Å; M758-F817 HydrophobicContact CG-CE2 3.94Å; M758-F817 HydrophobicContact SD-CD2 3.55Å; M758-F817 VanDerWaalsContact SD-CD2 3.55Å; M758-F817 HydrophobicContact SD-CE2 3.63Å; F791-F817 HydrophobicContact CD1-CB 4.22Å; F791-F817 HydrophobicContact CE1-CB 3.92Å; F791-F817 HydrophobicContact CE1-CD2 4.47Å; T815-F817 VanDerWaalsContact C-N 3.3Å; T815-F817 PolarHBondContact O-N 3.03Å
818	R	65.5	Low	81.6	Confident	150 Å²	150	47.7 Å²	47.7	57%	0.566	25%	0.247	S	C	*	.			trans	-97.2	108	175.9	-74.3	172.3	-74.2	-168.6	-3.6	111.7	E811 N813 T815 D816	E811-R818 VanDerWaalsContact OE2-CA 3.22Å; E811-R818 WeakPolarHBondContact OE2-CA 3.34Å; E811-R818 WeakPolarHBondContact OE2-CB 3.15Å; N813-R818 PolarHBondContact O-NH1 3.27Å; T815-R818 WeakPolarHBondContact O-CG 3.42Å; D816-R818 PolarHBondContact O-N 2.66Å
819	T	76.7	Confident	81.7	Confident	36 Å²	36	49.4 Å²	49.4	22%	0.221	26%	0.258	C	S	.	.			trans	-97.7	-24.4	-179.9	60.3	0	0	0	0	112.9	E811 K821 V822 E823	E811-T819 VanDerWaalsContact CD-N 3.33Å; E811-T819 PolarHBondContact OE1-N 3.41Å; E811-T819 PolarHBondContact OE1-OG1 2.84Å; E811-T819 PolarHBondContact OE2-N 3.04Å; E811-T819 VanDerWaalsContact OE2-N 3.07Å; T819-K821 PolarHBondContact O-N 2.67Å; T819-K821 VanDerWaalsContact O-N 3.15Å; T819-V822 WeakPolarHBondContact O-CB 3.5Å; T819-V822 PolarHBondContact O-N 3.45Å; T819-E823 PolarHBondContact O-N 2.64Å
820	L	82.7	Confident	81.9	Confident	6 Å²	6	48.9 Å²	48.9	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-30.4	-173.6	-161.7	69.9	0	0	0	112.8	K809 E811 V822 E823 V824 C851 I853	K809-L820 HydrophobicContact CD-CD1 4.18Å; K809-L820 HydrophobicContact CG-CD1 4.13Å; E811-L820 HydrophobicContact CB-CB 3.99Å; E811-L820 HydrophobicContact CB-CD2 4.02Å; E811-L820 PolarHBondContact OE1-N 3.45Å; E811-L820 WeakPolarHBondContact OE2-CB 3.38Å; E811-L820 PolarHBondContact OE2-N 3.14Å; L820-V822 PolarHBondContact O-N 3.01Å; L820-E823 PolarHBondContact O-N 2.97Å; L820-V824 WeakPolarHBondContact O-CB 3.4Å; L820-V824 VanDerWaalsContact O-CG2 3.25Å; L820-V824 WeakPolarHBondContact O-CG2 3.31Å; L820-V824 PolarHBondContact O-N 3.19Å; L820-C851 HydrophobicContact CD2-CB 3.83Å; L820-C851 WeakPolarHBondContact CD2-O 3.45Å; L820-I853 HydrophobicContact CD1-CG2 3.71Å; L820-I853 HydrophobicContact CG-CG2 4.47Å
821	K	86.2	Confident	82.2	Confident	168 Å²	168	51.1 Å²	51.1	73%	0.73	27%	0.268	S	S	*	.	H	α-helix	trans	-62.6	-40.2	174.4	-175.5	177.3	178.9	-179.7	0	112.3	T819 T825	T819-K821 PolarHBondContact O-N 2.67Å; T819-K821 VanDerWaalsContact O-N 3.15Å; K821-T825 PolarHBondContact O-N 3.08Å; K821-T825 VanDerWaalsContact O-N 3.13Å; K821-T825 PolarHBondContact O-OG1 3.46Å
822	V	88.6	Confident	82.7	Confident	58 Å²	58	57 Å²	57	35%	0.352	30%	0.295	S	S	.	.	H	α-helix	trans	-66.9	-45.3	177.1	179.8	0	0	0	0	109.5	T819 L820 T825 V826 C933	T819-V822 WeakPolarHBondContact O-CB 3.5Å; T819-V822 PolarHBondContact O-N 3.45Å; L820-V822 PolarHBondContact O-N 3.01Å; V822-T825 PolarHBondContact O-N 3.4Å; V822-V826 HydrophobicContact CG1-CG2 4.29Å; V822-V826 WeakPolarHBondContact O-CG2 3.27Å; V822-V826 PolarHBondContact O-N 3.27Å; V822-C933 HydrophobicContact CG1-CB 4.25Å
823	E	90.6	Very high	83.3	Confident	4 Å²	4	61 Å²	61	2%	0.019	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-46.2	179.6	-177.9	166.2	-143.2	0	0	112.6	K809 T819 L820 T825 V826 L827 F930	K809-E823 WeakPolarHBondContact CD-OE2 3.43Å; K809-E823 VanDerWaalsContact CE-OE2 3.26Å; K809-E823 WeakPolarHBondContact CE-OE2 3.22Å; K809-E823 IonicContact NZ-OE1 3.81Å; K809-E823 PolarHBondContact NZ-OE1 3.32Å; K809-E823 IonicContact NZ-OE2 3.06Å; K809-E823 PolarHBondContact NZ-OE2 3.32Å; T819-E823 PolarHBondContact O-N 2.64Å; L820-E823 PolarHBondContact O-N 2.97Å; E823-T825 PolarHBondContact O-N 3.37Å; E823-V826 PolarHBondContact O-N 3.36Å; E823-L827 VanDerWaalsContact O-CB 3.26Å; E823-L827 WeakPolarHBondContact O-CB 3.32Å; E823-L827 PolarHBondContact O-N 2.94Å; E823-F930 HydrophobicContact CB-CB 4.32Å; E823-F930 HydrophobicContact CG-CB 4.13Å; E823-F930 HydrophobicContact CG-CD2 4.33Å
824	V	92.2	Very high	84.2	Confident	22 Å²	22	68.6 Å²	68.6	13%	0.133	35%	0.348	C	S	.	.	H	α-helix	trans	-57.5	-46.2	172.7	168.4	0	0	0	0	111.4	L820 K828 V844 I853	L820-V824 WeakPolarHBondContact O-CB 3.4Å; L820-V824 VanDerWaalsContact O-CG2 3.25Å; L820-V824 WeakPolarHBondContact O-CG2 3.31Å; L820-V824 PolarHBondContact O-N 3.19Å; V824-K828 HydrophobicContact CG1-CD 4.12Å; V824-K828 VanDerWaalsContact O-CB 3.3Å; V824-K828 WeakPolarHBondContact O-CB 3.12Å; V824-K828 VanDerWaalsContact O-CG 3.26Å; V824-K828 WeakPolarHBondContact O-CG 3.45Å; V824-K828 PolarHBondContact O-N 3.19Å; V824-K828 VanDerWaalsContact O-N 3.07Å; V824-V844 HydrophobicContact CG1-CG1 4.1Å; V824-V844 HydrophobicContact CG1-CG2 4.1Å; V824-V844 HydrophobicContact CG2-CG1 3.94Å; V824-V844 HydrophobicContact CG2-CG2 4.26Å; V824-I853 HydrophobicContact CG2-CB 4.21Å; V824-I853 HydrophobicContact CG2-CD1 3.9Å; V824-I853 HydrophobicContact CG2-CG1 4.4Å
825	T	93.4	Very high	85.7	Confident	71 Å²	71	64.9 Å²	64.9	44%	0.436	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-48.5	-179.7	-67.3	0	0	0	0	111.7	K821 V822 E823 T829	K821-T825 PolarHBondContact O-N 3.08Å; K821-T825 VanDerWaalsContact O-N 3.13Å; K821-T825 PolarHBondContact O-OG1 3.46Å; V822-T825 PolarHBondContact O-N 3.4Å; E823-T825 PolarHBondContact O-N 3.37Å; T825-T829 PolarHBondContact O-N 3.25Å; T825-T829 PolarHBondContact O-OG1 3.28Å
826	V	95.1	Very high	87.4	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-64.9	-49.4	-178	173.3	0	0	0	0	110.7	V822 E823 K828 T829 L830 L899 F904 F930 C933	V822-V826 HydrophobicContact CG1-CG2 4.29Å; V822-V826 WeakPolarHBondContact O-CG2 3.27Å; V822-V826 PolarHBondContact O-N 3.27Å; E823-V826 PolarHBondContact O-N 3.36Å; V826-K828 VanDerWaalsContact C-N 3.33Å; V826-K828 PolarHBondContact O-N 3.39Å; V826-T829 PolarHBondContact O-N 2.98Å; V826-L830 HydrophobicContact CG1-CD1 3.7Å; V826-L830 HydrophobicContact CG1-CG 4.4Å; V826-L830 VanDerWaalsContact O-CG 3.3Å; V826-L830 WeakPolarHBondContact O-CG 3.49Å; V826-L830 PolarHBondContact O-N 3.3Å; V826-L899 HydrophobicContact CG1-CD1 3.83Å; V826-F904 HydrophobicContact CG1-CD2 4.42Å; V826-F904 HydrophobicContact CG1-CG 4.43Å; V826-F904 HydrophobicContact CG2-CD1 3.69Å; V826-F904 HydrophobicContact CG2-CD2 4.45Å; V826-F904 HydrophobicContact CG2-CE1 3.7Å; V826-F904 HydrophobicContact CG2-CE2 4.46Å; V826-F904 HydrophobicContact CG2-CG 4.07Å; V826-F904 HydrophobicContact CG2-CZ 4.1Å; V826-F930 HydrophobicContact CB-CB 4.07Å; V826-F930 HydrophobicContact CB-CG 4.42Å; V826-F930 HydrophobicContact CG1-CB 3.98Å; V826-F930 HydrophobicContact CG1-CD1 3.6Å; V826-F930 HydrophobicContact CG1-CE1 4.35Å; V826-F930 HydrophobicContact CG1-CG 3.91Å; V826-C933 HydrophobicContact CG2-CB 3.82Å
827	L	94.9	Very high	89.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.3	-33.9	-175.9	-171.6	60	0	0	0	112.1	E823 L830 N831 V838 C839 I841 I853 M855 F930	E823-L827 VanDerWaalsContact O-CB 3.26Å; E823-L827 WeakPolarHBondContact O-CB 3.32Å; E823-L827 PolarHBondContact O-N 2.94Å; L827-L830 PolarHBondContact O-N 3.02Å; L827-N831 WeakPolarHBondContact O-CB 3.4Å; L827-N831 PolarHBondContact O-N 2.87Å; L827-N831 PolarHBondContact O-ND2 2.75Å; L827-V838 HydrophobicContact CD1-CB 3.84Å; L827-V838 HydrophobicContact CD1-CG1 4.5Å; L827-V838 HydrophobicContact CD1-CG2 4.33Å; L827-C839 WeakPolarHBondContact CD1-O 3.4Å; L827-C839 HydrophobicContact CD2-CB 4.5Å; L827-I841 HydrophobicContact CB-CD1 3.9Å; L827-I841 HydrophobicContact CB-CG1 4.42Å; L827-I841 HydrophobicContact CD2-CD1 4.09Å; L827-I841 HydrophobicContact CD2-CG1 3.73Å; L827-I841 HydrophobicContact CG-CD1 3.78Å; L827-I841 HydrophobicContact CG-CG1 3.75Å; L827-I853 HydrophobicContact CD2-CD1 4.11Å; L827-M855 HydrophobicContact CD2-CB 4.49Å; L827-M855 HydrophobicContact CD2-CE 4.26Å; L827-M855 HydrophobicContact CD2-SD 4.07Å; L827-F930 HydrophobicContact CB-CD2 4.33Å; L827-F930 HydrophobicContact CB-CE2 4.49Å; L827-F930 HydrophobicContact CD1-CD2 4.38Å; L827-F930 HydrophobicContact CD1-CE2 3.73Å; L827-F930 HydrophobicContact CD1-CZ 4.21Å; L827-F930 HydrophobicContact CG-CE2 4.5Å
828	K	95.4	Very high	91.4	Very high	92 Å²	92	59.7 Å²	59.7	40%	0.4	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-51.9	171.2	-81	-174.2	175.6	-167.9	0	112	V824 V826 L830 N831 E832 I841	V824-K828 HydrophobicContact CG1-CD 4.12Å; V824-K828 VanDerWaalsContact O-CB 3.3Å; V824-K828 WeakPolarHBondContact O-CB 3.12Å; V824-K828 VanDerWaalsContact O-CG 3.26Å; V824-K828 WeakPolarHBondContact O-CG 3.45Å; V824-K828 PolarHBondContact O-N 3.19Å; V824-K828 VanDerWaalsContact O-N 3.07Å; V826-K828 VanDerWaalsContact C-N 3.33Å; V826-K828 PolarHBondContact O-N 3.39Å; K828-L830 VanDerWaalsContact C-N 3.27Å; K828-L830 PolarHBondContact O-N 3Å; K828-N831 WeakPolarHBondContact O-CB 3.26Å; K828-N831 PolarHBondContact O-N 3.4Å; K828-N831 VanDerWaalsContact O-N 3.08Å; K828-E832 WeakPolarHBondContact O-CB 2.79Å; K828-E832 VanDerWaalsContact O-CG 3.29Å; K828-E832 WeakPolarHBondContact O-CG 3.43Å; K828-E832 PolarHBondContact O-N 2.16Å; K828-I841 HydrophobicContact CB-CD1 4.26Å; K828-I841 HydrophobicContact CG-CD1 3.49Å; K828-I841 VanDerWaalsContact CG-CD1 3.49Å
829	T	95.5	Very high	92.8	Very high	36 Å²	36	52.6 Å²	52.6	22%	0.221	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-37.5	178.9	-60.4	0	0	0	0	112.2	T825 V826 N833 F904	T825-T829 PolarHBondContact O-N 3.25Å; T825-T829 PolarHBondContact O-OG1 3.28Å; V826-T829 PolarHBondContact O-N 2.98Å; T829-N833 WeakPolarHBondContact O-CB 3.24Å; T829-N833 PolarHBondContact O-N 3.43Å; T829-N833 PolarHBondContact O-ND2 3.04Å; T829-F904 HydrophobicContact CG2-CE2 4.21Å
830	L	96.7	Very high	93.6	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-69.5	-34.9	175.6	-65.4	168.6	0	0	0	112.9	V826 L827 K828 K834 A835 V838 L899 N902 F930	V826-L830 HydrophobicContact CG1-CD1 3.7Å; V826-L830 HydrophobicContact CG1-CG 4.4Å; V826-L830 VanDerWaalsContact O-CG 3.3Å; V826-L830 WeakPolarHBondContact O-CG 3.49Å; V826-L830 PolarHBondContact O-N 3.3Å; L827-L830 PolarHBondContact O-N 3.02Å; K828-L830 VanDerWaalsContact C-N 3.27Å; K828-L830 PolarHBondContact O-N 3Å; L830-K834 PolarHBondContact O-N 3.24Å; L830-A835 HydrophobicContact CB-CB 3.96Å; L830-A835 HydrophobicContact CD2-CB 4.04Å; L830-A835 WeakPolarHBondContact O-CB 3.33Å; L830-A835 PolarHBondContact O-N 3.03Å; L830-V838 HydrophobicContact CB-CG1 4.08Å; L830-V838 HydrophobicContact CB-CG2 4.21Å; L830-V838 HydrophobicContact CD1-CG1 3.91Å; L830-V838 HydrophobicContact CG-CG1 4.5Å; L830-L899 HydrophobicContact CD1-CD1 3.75Å; L830-L899 HydrophobicContact CD2-CD1 4.3Å; L830-N902 HydrophobicContact CD2-CB 3.81Å; L830-F930 HydrophobicContact CD1-CD1 4.31Å; L830-F930 HydrophobicContact CD1-CE1 3.76Å; L830-F930 HydrophobicContact CD1-CZ 4.15Å
831	N	96	Very high	94.2	Very high	49 Å²	49	57 Å²	57	26%	0.262	28%	0.277	S	S	.	.	H	α-helix	trans	-67.8	-47.3	173.7	-85.4	-136.1	0	0	0	111.1	L827 K828 N833 K834 C839 E840 I841	L827-N831 WeakPolarHBondContact O-CB 3.4Å; L827-N831 PolarHBondContact O-N 2.87Å; L827-N831 PolarHBondContact O-ND2 2.75Å; K828-N831 WeakPolarHBondContact O-CB 3.26Å; K828-N831 PolarHBondContact O-N 3.4Å; K828-N831 VanDerWaalsContact O-N 3.08Å; N831-N833 VanDerWaalsContact C-N 3.31Å; N831-N833 PolarHBondContact O-N 2.87Å; N831-K834 PolarHBondContact O-N 2.91Å; N831-C839 PolarHBondContact ND2-O 3.22Å; N831-E840 VanDerWaalsContact OD1-CA 3.28Å; N831-E840 WeakPolarHBondContact OD1-CA 3.37Å; N831-I841 PolarHBondContact OD1-N 2.87Å
832	E	95.6	Very high	94.5	Very high	134 Å²	134	49.9 Å²	49.9	63%	0.626	25%	0.248	S	C	*	.	H	α-helix	trans	-57	-43.5	177.7	-72.5	159.1	-174.3	0	0	111.4	K828 K834	K828-E832 WeakPolarHBondContact O-CB 2.79Å; K828-E832 VanDerWaalsContact O-CG 3.29Å; K828-E832 WeakPolarHBondContact O-CG 3.43Å; K828-E832 PolarHBondContact O-N 2.16Å; E832-K834 VanDerWaalsContact C-N 3.31Å; E832-K834 PolarHBondContact O-N 3.19Å
833	N	95	Very high	94.6	Very high	103 Å²	103	47.6 Å²	47.6	55%	0.551	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	14.1	177.5	-66.4	-41.9	0	0	0	114.3	T829 N831 A835 N902	T829-N833 WeakPolarHBondContact O-CB 3.24Å; T829-N833 PolarHBondContact O-N 3.43Å; T829-N833 PolarHBondContact O-ND2 3.04Å; N831-N833 VanDerWaalsContact C-N 3.31Å; N831-N833 PolarHBondContact O-N 2.87Å; N833-A835 VanDerWaalsContact C-N 3.33Å; N833-A835 PolarHBondContact O-N 3.48Å; N833-N902 WeakPolarHBondContact CB-OD1 3.31Å; N833-N902 PolarHBondContact ND2-OD1 2.97Å
834	K	94.9	Very high	94.8	Very high	186 Å²	186	50.3 Å²	50.3	81%	0.809	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	40.5	173.1	-55	-179.5	-177.7	177.9	0	114.7	L830 N831 E832	L830-K834 PolarHBondContact O-N 3.24Å; N831-K834 PolarHBondContact O-N 2.91Å; E832-K834 VanDerWaalsContact C-N 3.31Å; E832-K834 PolarHBondContact O-N 3.19Å
835	A	96.5	Very high	94.7	Very high	14 Å²	14	50 Å²	50	12%	0.116	25%	0.254	C	S	.	.			trans	-56.3	140.1	175.8	0	0	0	0	0	111.6	L830 N833 H837 V838 D898	L830-A835 HydrophobicContact CB-CB 3.96Å; L830-A835 HydrophobicContact CD2-CB 4.04Å; L830-A835 WeakPolarHBondContact O-CB 3.33Å; L830-A835 PolarHBondContact O-N 3.03Å; N833-A835 VanDerWaalsContact C-N 3.33Å; N833-A835 PolarHBondContact O-N 3.48Å; A835-H837 PolarHBondContact O-N 3.16Å; A835-V838 HydrophobicContact CB-CG1 4.06Å; A835-V838 HydrophobicContact CB-CG2 4.02Å; A835-D898 HydrophobicContact CB-CB 3.98Å
836	R	95.9	Very high	94.5	Very high	97 Å²	97	54.1 Å²	54.1	37%	0.366	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-40.9	-166.8	-65.4	171.6	-80.2	-179.2	-6.3	112.8	E894 E897 D898 K924	R836-E894 VanDerWaalsContact NH1-CG 3.27Å; R836-E894 IonicContact NH1-OE1 3.97Å; R836-E894 PolarHBondContact NH1-OE1 3.48Å; R836-E894 VanDerWaalsContact NH1-OE1 3.12Å; R836-E894 IonicContact NH1-OE2 3.89Å; R836-E894 PolarHBondContact NH2-O 2.94Å; R836-E897 IonicContact CZ-OE2 3.59Å; R836-E897 IonicContact NH2-OE2 2.95Å; R836-E897 PolarHBondContact NH2-OE2 3.36Å; R836-D898 WeakPolarHBondContact CB-OD2 3.48Å; R836-D898 WeakPolarHBondContact CG-OD2 3.15Å; R836-D898 IonicContact CZ-OD1 3.83Å; R836-D898 VanDerWaalsContact CZ-OD1 3.29Å; R836-D898 PolarHBondContact N-OD2 2.9Å; R836-D898 IonicContact NE-OD1 3.05Å; R836-D898 PolarHBondContact NE-OD1 2.81Å; R836-D898 IonicContact NE-OD2 3.29Å; R836-D898 PolarHBondContact NE-OD2 2.88Å; R836-D898 VanDerWaalsContact NE-OD2 3.14Å; R836-D898 IonicContact NH2-OD1 2.72Å; R836-D898 PolarHBondContact NH2-OD1 3.38Å; R836-K924 WeakPolarHBondContact O-CE 3.45Å; R836-K924 PolarHBondContact O-NZ 3.2Å
837	H	96.7	Very high	94.2	Very high	14 Å²	14	58.1 Å²	58.1	7%	0.065	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	38.4	-161.3	-62.2	-62.9	0	0	0	113.6	A835 R891 E894 A895 I925 Y926 L927	A835-H837 PolarHBondContact O-N 3.16Å; H837-R891 PolarHBondContact CD2-O 3.48Å; H837-R891 VanDerWaalsContact CD2-O 3.28Å; H837-R891 PolarHBondContact NE2-O 3.38Å; H837-E894 VanDerWaalsContact CD2-CB 3.48Å; H837-E894 WeakPolarHBondContact CD2-CB 3.04Å; H837-E894 IonicContact CD2-OE2 3.12Å; H837-E894 IonicContact CE1-OE2 3.46Å; H837-E894 PolarHBondContact CE1-OE2 3.49Å; H837-E894 WeakPolarHBondContact NE2-CB 2.71Å; H837-E894 IonicContact NE2-OE2 3.14Å; H837-E894 PolarHBondContact NE2-OE2 2.98Å; H837-A895 HydrophobicContact CB-CB 3.51Å; H837-I925 WeakPolarHBondContact CA-O 3.43Å; H837-I925 VanDerWaalsContact CB-O 3.32Å; H837-I925 WeakPolarHBondContact CB-O 3.21Å; H837-I925 PolarHBondContact ND1-O 3.37Å; H837-Y926 WeakPolarHBondContact O-CA 3.25Å; H837-L927 PolarHBondContact O-N 3.42Å
838	V	95.6	Very high	93.6	Very high	11 Å²	11	66.5 Å²	66.5	7%	0.067	32%	0.322	C	S	.	.			trans	-122.5	159.6	-179.2	-58.3	0	0	0	0	112.4	L827 L830 A835 F930	L827-V838 HydrophobicContact CD1-CB 3.84Å; L827-V838 HydrophobicContact CD1-CG1 4.5Å; L827-V838 HydrophobicContact CD1-CG2 4.33Å; L830-V838 HydrophobicContact CB-CG1 4.08Å; L830-V838 HydrophobicContact CB-CG2 4.21Å; L830-V838 HydrophobicContact CD1-CG1 3.91Å; L830-V838 HydrophobicContact CG-CG1 4.5Å; A835-V838 HydrophobicContact CB-CG1 4.06Å; A835-V838 HydrophobicContact CB-CG2 4.02Å; V838-F930 HydrophobicContact CG1-CZ 4.26Å
839	C	94.9	Very high	92.9	Very high	2 Å²	2	67 Å²	67	1%	0.014	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-75.2	142.2	172.3	-64.1	0	0	0	0	111	L827 N831 M855 L928	L827-C839 WeakPolarHBondContact CD1-O 3.4Å; L827-C839 HydrophobicContact CD2-CB 4.5Å; N831-C839 PolarHBondContact ND2-O 3.22Å; C839-M855 HydrophobicContact CB-CB 4.05Å; C839-M855 HydrophobicContact CB-CG 4.15Å; C839-M855 HydrophobicContact CB-SD 4.03Å; C839-L928 VanDerWaalsContact SG-CD2 3.56Å
840	E	93.9	Very high	92.6	Very high	95 Å²	95	66 Å²	66	44%	0.444	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-73.8	136.1	170.6	-63.5	171.1	-177.2	0	0	109.8	R804 N831 M855 T856	R804-E840 IonicContact CZ-OE2 2.86Å; R804-E840 IonicContact NH1-OE2 3.95Å; R804-E840 PolarHBondContact NH1-OE2 2.78Å; R804-E840 IonicContact NH2-OE2 2.84Å; N831-E840 VanDerWaalsContact OD1-CA 3.28Å; N831-E840 WeakPolarHBondContact OD1-CA 3.37Å; E840-M855 CarbonylContact O-C 3.46Å; E840-M855 WeakPolarHBondContact O-CA 3.49Å; E840-M855 WeakPolarHBondContact O-CB 3.48Å; E840-T856 WeakPolarHBondContact CB-OG1 3.49Å; E840-T856 PolarHBondContact N-OG1 3.3Å; E840-T856 PolarHBondContact O-N 3.43Å
841	I	93.6	Very high	92.3	Very high	38 Å²	38	67.5 Å²	67.5	20%	0.195	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	130.5	172	-59.6	177.4	0	0	0	109.7	L827 K828 N831 V844 I853	L827-I841 HydrophobicContact CB-CD1 3.9Å; L827-I841 HydrophobicContact CB-CG1 4.42Å; L827-I841 HydrophobicContact CD2-CD1 4.09Å; L827-I841 HydrophobicContact CD2-CG1 3.73Å; L827-I841 HydrophobicContact CG-CD1 3.78Å; L827-I841 HydrophobicContact CG-CG1 3.75Å; K828-I841 HydrophobicContact CB-CD1 4.26Å; K828-I841 HydrophobicContact CG-CD1 3.49Å; K828-I841 VanDerWaalsContact CG-CD1 3.49Å; N831-I841 PolarHBondContact OD1-N 2.87Å; I841-V844 HydrophobicContact CG2-CG2 3.83Å; I841-I853 HydrophobicContact CD1-CD1 4.13Å; I841-I853 HydrophobicContact CG1-CD1 4.21Å; I841-I853 HydrophobicContact CG2-CG1 4.45Å
842	T	92.7	Very high	92.1	Very high	19 Å²	19	65.2 Å²	65.2	12%	0.117	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-22.2	-174.5	95	0	0	0	0	111.6	R779 D806 V854	R779-T842 PolarHBondContact NH1-O 2.88Å; D806-T842 VanDerWaalsContact OD2-CB 3.26Å; D806-T842 WeakPolarHBondContact OD2-CB 3.49Å; D806-T842 VanDerWaalsContact OD2-CG2 3.22Å; D806-T842 WeakPolarHBondContact OD2-CG2 3.28Å; D806-T842 PolarHBondContact OD2-OG1 3.05Å; T842-V854 PolarHBondContact N-O 2.89Å; T842-V854 VanDerWaalsContact OG1-CG1 3.27Å; T842-V854 WeakPolarHBondContact OG1-CG1 3.48Å
843	G	92.3	Very high	92	Very high	10 Å²	10	58.9 Å²	58.9	10%	0.103	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	155.8	172.8	0	0	0	0	0	113.1	V854	G843-V854 PolarHBondContact N-O 2.79Å; G843-V854 PolarHBondContact O-N 3.48Å
844	V	93.9	Very high	92	Very high	62 Å²	62	54 Å²	54	38%	0.376	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	134.8	166.9	-179.5	0	0	0	0	106.5	V824 I841 F852 I853	V824-V844 HydrophobicContact CG1-CG1 4.1Å; V824-V844 HydrophobicContact CG1-CG2 4.1Å; V824-V844 HydrophobicContact CG2-CG1 3.94Å; V824-V844 HydrophobicContact CG2-CG2 4.26Å; I841-V844 HydrophobicContact CG2-CG2 3.83Å; V844-F852 WeakPolarHBondContact CA-O 3.44Å; V844-I853 HydrophobicContact CG2-CG1 4.14Å
845	G	90.6	Very high	92	Very high	15 Å²	15	45.4 Å²	45.4	16%	0.155	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.7	179.3	0	0	0	0	0	113.3	F852	G845-F852 VanDerWaalsContact CA-CE1 3.46Å; G845-F852 PolarHBondContact N-O 2.76Å; G845-F852 PolarHBondContact O-N 2.81Å
846	K	89.5	Confident	91.9	Very high	158 Å²	158	45.6 Å²	45.6	69%	0.687	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	116.7	174.8	177.3	178.6	178.2	-161.7	0	108.3
847	K	88.3	Confident	91.7	Very high	84 Å²	84	41.7 Å²	41.7	37%	0.365	21%	0.213	S	C	.	.			trans	-93.3	176.8	164.3	-65.1	-51.4	-151.5	-174.4	0	109.6	D777 N813 F850 F852	D777-K847 WeakPolarHBondContact OD1-CE 3.45Å; D777-K847 IonicContact OD1-NZ 3.21Å; D777-K847 PolarHBondContact OD1-NZ 3.22Å; N813-K847 PolarHBondContact ND2-O 3.25Å; K847-F850 CarbonylContact C-O 3.6Å; K847-F850 WeakPolarHBondContact CA-O 3.38Å; K847-F850 HydrophobicContact CB-CD1 4.22Å; K847-F850 HydrophobicContact CB-CE1 4.01Å; K847-F850 HydrophobicContact CB-CE2 4.32Å; K847-F850 HydrophobicContact CB-CG 4.47Å; K847-F850 HydrophobicContact CB-CZ 4.06Å; K847-F850 HydrophobicContact CG-CE1 4.12Å; K847-F850 HydrophobicContact CG-CE2 4Å; K847-F850 HydrophobicContact CG-CZ 3.71Å; K847-F850 PolarHBondContact N-O 2.87Å; K847-F852 HydrophobicContact CG-CE1 4.49Å
848	E	81.6	Confident	91.5	Very high	176 Å²	176	41.3 Å²	41.3	82%	0.822	21%	0.211	S	C	*	.	S	Bend	trans	-62.8	-46.8	177.9	-175.6	178.1	-176.6	0	0	112.2	N813	N813-E848 PolarHBondContact ND2-O 2.88Å
849	L	82.3	Confident	91.4	Very high	102 Å²	102	41 Å²	41	53%	0.534	21%	0.21	S	C	.	.	S	Bend	trans	-86.8	-26.8	-176.6	-59.3	178.8	0	0	0	113.9	L769 I812 N813	L769-L849 HydrophobicContact CD2-CB 4.32Å; L769-L849 HydrophobicContact CD2-CD1 3.85Å; I812-L849 WeakPolarHBondContact CG2-O 3.48Å; N813-L849 PolarHBondContact N-O 2.95Å
850	F	87.6	Confident	91.2	Very high	16 Å²	16	42.3 Å²	42.3	7%	0.07	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	153	-173.8	63.8	-89	0	0	0	113.6	L769 L770 I810 E811 K847 F852	L769-F850 HydrophobicContact CD1-CB 4.24Å; L769-F850 HydrophobicContact CD1-CD1 4.16Å; L770-F850 HydrophobicContact CD2-CE1 4.3Å; L770-F850 HydrophobicContact CD2-CZ 3.96Å; L770-F850 HydrophobicContact CG-CZ 4.5Å; I810-F850 HydrophobicContact CB-CD2 4.03Å; I810-F850 HydrophobicContact CG2-CD2 3.98Å; I810-F850 HydrophobicContact CG2-CE2 4.17Å; E811-F850 CarbonylContact O-C 3.59Å; E811-F850 VanDerWaalsContact O-CA 3.26Å; E811-F850 WeakPolarHBondContact O-CA 3.4Å; E811-F850 WeakPolarHBondContact O-CB 3.41Å; K847-F850 CarbonylContact C-O 3.6Å; K847-F850 WeakPolarHBondContact CA-O 3.38Å; K847-F850 HydrophobicContact CB-CD1 4.22Å; K847-F850 HydrophobicContact CB-CE1 4.01Å; K847-F850 HydrophobicContact CB-CE2 4.32Å; K847-F850 HydrophobicContact CB-CG 4.47Å; K847-F850 HydrophobicContact CB-CZ 4.06Å; K847-F850 HydrophobicContact CG-CE1 4.12Å; K847-F850 HydrophobicContact CG-CE2 4Å; K847-F850 HydrophobicContact CG-CZ 3.71Å; K847-F850 PolarHBondContact N-O 2.87Å; F850-F852 HydrophobicContact CD2-CB 4.17Å; F850-F852 HydrophobicContact CD2-CD1 4.23Å; F850-F852 HydrophobicContact CE2-CB 4.18Å; F850-F852 AromaticContact CE2-CD1 3.78Å; F850-F852 HydrophobicContact CE2-CD1 3.78Å; F850-F852 HydrophobicContact CE2-CG 4.32Å
851	C	90.1	Very high	91.2	Very high	33 Å²	33	38.1 Å²	38.1	22%	0.223	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	152.6	160.6	-74.1	0	0	0	0	109.5	I810 E811 N813 L820	I810-C851 VanDerWaalsContact CA-O 3.32Å; I810-C851 WeakPolarHBondContact CA-O 3.47Å; E811-C851 PolarHBondContact N-O 3.49Å; E811-C851 PolarHBondContact O-N 3.12Å; N813-C851 PolarHBondContact OD1-N 3.33Å; N813-C851 PolarHBondContact OD1-SG 2.87Å; L820-C851 HydrophobicContact CD2-CB 3.83Å; L820-C851 WeakPolarHBondContact CD2-O 3.45Å
852	F	92.7	Very high	91.2	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.4	176.8	72.8	-90	0	0	0	113.6	V776 D777 W780 M808 K809 I810 V844 G845 K847 F850 V854	V776-F852 HydrophobicContact CG1-CD1 4.19Å; V776-F852 HydrophobicContact CG1-CE1 3.71Å; V776-F852 HydrophobicContact CG1-CE2 4.32Å; V776-F852 HydrophobicContact CG1-CZ 3.79Å; D777-F852 HydrophobicContact CB-CZ 4.33Å; D777-F852 VanDerWaalsContact OD2-CZ 3.31Å; D777-F852 WeakPolarHBondContact OD2-CZ 3.46Å; W780-F852 HydrophobicContact CE3-CE2 4.01Å; W780-F852 HydrophobicContact CE3-CZ 4.29Å; W780-F852 HydrophobicContact CH2-CE2 4.39Å; W780-F852 AromaticContact CZ3-CE2 3.75Å; W780-F852 HydrophobicContact CZ3-CE2 3.75Å; W780-F852 AromaticContact CZ3-CZ 3.92Å; W780-F852 HydrophobicContact CZ3-CZ 3.92Å; M808-F852 HydrophobicContact CE-CD2 3.98Å; M808-F852 HydrophobicContact CE-CE2 4.12Å; M808-F852 HydrophobicContact CG-CB 4.18Å; M808-F852 HydrophobicContact CG-CD2 4.22Å; M808-F852 HydrophobicContact SD-CB 4.44Å; M808-F852 HydrophobicContact SD-CD2 4.22Å; M808-F852 HydrophobicContact SD-CG 4.41Å; K809-F852 VanDerWaalsContact O-CA 3.26Å; K809-F852 WeakPolarHBondContact O-CA 3.43Å; I810-F852 HydrophobicContact CB-CB 4.5Å; I810-F852 HydrophobicContact CG2-CB 3.8Å; V844-F852 WeakPolarHBondContact CA-O 3.44Å; G845-F852 VanDerWaalsContact CA-CE1 3.46Å; G845-F852 PolarHBondContact N-O 2.76Å; G845-F852 PolarHBondContact O-N 2.81Å; K847-F852 HydrophobicContact CG-CE1 4.49Å; F850-F852 HydrophobicContact CD2-CB 4.17Å; F850-F852 HydrophobicContact CD2-CD1 4.23Å; F850-F852 HydrophobicContact CE2-CB 4.18Å; F850-F852 AromaticContact CE2-CD1 3.78Å; F850-F852 HydrophobicContact CE2-CD1 3.78Å; F850-F852 HydrophobicContact CE2-CG 4.32Å; F852-V854 HydrophobicContact CD2-CG2 3.75Å; F852-V854 HydrophobicContact CE2-CG2 3.81Å
853	I	93.9	Very high	91.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.3	167.4	-176.1	170.8	0	0	0	108.3	M808 K809 L820 V824 L827 I841 V844 M855	M808-I853 CarbonylContact C-O 3.59Å; M808-I853 VanDerWaalsContact CA-O 3.31Å; M808-I853 WeakPolarHBondContact CA-O 3.33Å; K809-I853 HydrophobicContact CB-CG2 3.86Å; K809-I853 PolarHBondContact N-O 2.71Å; K809-I853 PolarHBondContact O-N 2.78Å; L820-I853 HydrophobicContact CD1-CG2 3.71Å; L820-I853 HydrophobicContact CG-CG2 4.47Å; V824-I853 HydrophobicContact CG2-CB 4.21Å; V824-I853 HydrophobicContact CG2-CD1 3.9Å; V824-I853 HydrophobicContact CG2-CG1 4.4Å; L827-I853 HydrophobicContact CD2-CD1 4.11Å; I841-I853 HydrophobicContact CD1-CD1 4.13Å; I841-I853 HydrophobicContact CG1-CD1 4.21Å; I841-I853 HydrophobicContact CG2-CG1 4.45Å; V844-I853 HydrophobicContact CG2-CG1 4.14Å; I853-M855 HydrophobicContact CB-CE 4.47Å; I853-M855 HydrophobicContact CD1-CE 3.91Å; I853-M855 HydrophobicContact CG1-CE 4.09Å; I853-M855 HydrophobicContact CG2-CE 3.54Å
854	V	95	Very high	91.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.9	172.3	-165.6	0	0	0	0	108.3	W780 V797 D806 A807 M808 T842 G843 F852	W780-V854 HydrophobicContact CD2-CG2 3.91Å; W780-V854 HydrophobicContact CE3-CG2 4.31Å; W780-V854 HydrophobicContact CG-CG2 4.27Å; W780-V854 HydrophobicContact CZ2-CB 4.35Å; W780-V854 HydrophobicContact CZ2-CG2 4.11Å; V797-V854 HydrophobicContact CG2-CG1 3.79Å; D806-V854 HydrophobicContact CB-CG1 3.53Å; A807-V854 WeakPolarHBondContact O-CA 3.42Å; M808-V854 HydrophobicContact CB-CG2 4.21Å; M808-V854 HydrophobicContact CE-CG2 3.53Å; M808-V854 HydrophobicContact CG-CG2 4.08Å; T842-V854 PolarHBondContact N-O 2.89Å; T842-V854 VanDerWaalsContact OG1-CG1 3.27Å; T842-V854 WeakPolarHBondContact OG1-CG1 3.48Å; G843-V854 PolarHBondContact N-O 2.79Å; G843-V854 PolarHBondContact O-N 3.48Å; F852-V854 HydrophobicContact CD2-CG2 3.75Å; F852-V854 HydrophobicContact CE2-CG2 3.81Å
855	M	94.6	Very high	91.2	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	171	-174.5	71.5	-177.7	82.8	0	0	112.1	D806 A807 L827 C839 E840 I853 L857 M1092	D806-M855 WeakPolarHBondContact CB-O 3.26Å; A807-M855 PolarHBondContact N-O 3.01Å; A807-M855 PolarHBondContact O-N 3.42Å; L827-M855 HydrophobicContact CD2-CB 4.49Å; L827-M855 HydrophobicContact CD2-CE 4.26Å; L827-M855 HydrophobicContact CD2-SD 4.07Å; C839-M855 HydrophobicContact CB-CB 4.05Å; C839-M855 HydrophobicContact CB-CG 4.15Å; C839-M855 HydrophobicContact CB-SD 4.03Å; E840-M855 CarbonylContact O-C 3.46Å; E840-M855 WeakPolarHBondContact O-CA 3.49Å; E840-M855 WeakPolarHBondContact O-CB 3.48Å; I853-M855 HydrophobicContact CB-CE 4.47Å; I853-M855 HydrophobicContact CD1-CE 3.91Å; I853-M855 HydrophobicContact CG1-CE 4.09Å; I853-M855 HydrophobicContact CG2-CE 3.54Å; M855-L857 PolarHBondContact O-N 2.91Å; M855-M1092 HydrophobicContact CG-CE 3.77Å; M855-M1092 HydrophobicContact SD-CE 3.55Å; M855-M1092 VanDerWaalsContact SD-CE 3.55Å
856	T	93.5	Very high	91.3	Very high	19 Å²	19	33 Å²	33	12%	0.117	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.2	130.4	175.7	-51.1	0	0	0	0	113	E840 Y926	E840-T856 WeakPolarHBondContact CB-OG1 3.49Å; E840-T856 PolarHBondContact N-OG1 3.3Å; E840-T856 PolarHBondContact O-N 3.43Å; T856-Y926 HydrophobicContact CG2-CE1 4.2Å
857	L	93.1	Very high	91.3	Very high	15 Å²	15	30.3 Å²	30.3	8%	0.079	16%	0.155	C	C	.	.			trans	-77.7	121.1	169.7	-178.2	65	0	0	0	110.4	L786 E796 R805 A807 M855 R918	L786-L857 HydrophobicContact CD1-CD1 3.56Å; E796-L857 HydrophobicContact CG-CD1 4.47Å; E796-L857 HydrophobicContact CG-CD2 3.81Å; R805-L857 HydrophobicContact CB-CD2 4.02Å; R805-L857 WeakPolarHBondContact O-CB 3.33Å; A807-L857 HydrophobicContact CB-CD1 4.02Å; M855-L857 PolarHBondContact O-N 2.91Å; L857-R918 VanDerWaalsContact CD2-CZ 3.45Å
858	V	92.9	Very high	91.4	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.03	15%	0.146	C	C	.	.			trans	-100.2	174.6	-175.7	-60.4	0	0	0	0	113.4	A915 R918 Y926 L928 H1090 M1092	V858-A915 HydrophobicContact CB-CB 3.95Å; V858-A915 HydrophobicContact CG2-CB 3.66Å; V858-R918 PolarHBondContact O-NE 3.26Å; V858-Y926 HydrophobicContact CG1-CD1 3.97Å; V858-Y926 HydrophobicContact CG1-CD2 3.91Å; V858-Y926 HydrophobicContact CG1-CE1 4.37Å; V858-Y926 HydrophobicContact CG1-CE2 4.33Å; V858-Y926 HydrophobicContact CG1-CG 3.7Å; V858-L928 HydrophobicContact CG2-CD1 4.22Å; V858-H1090 HydrophobicContact CG2-CB 4.1Å; V858-M1092 HydrophobicContact CG2-SD 3.61Å
859	G	91.5	Very high	91.9	Very high	5 Å²	5	19.1 Å²	19.1	5%	0.052	11%	0.107	C	C	.	.			trans	-83.8	-164.6	172.9	0	0	0	0	0	111.9	A916 H1090	G859-A916 WeakPolarHBondContact CA-O 3.47Å; G859-A916 PolarHBondContact N-O 3.44Å; G859-H1090 WeakPolarHBondContact O-CB 3.42Å
860	P	91.2	Very high	92.1	Very high	30 Å²	30	19.5 Å²	19.5	20%	0.195	11%	0.106	C	C	.	.			trans	-60.2	157.2	178.1	-24.7	35.9	0	0	0	114.1	L865 A915 A916 A1087	P860-L865 HydrophobicContact CB-CD2 4.19Å; P860-L865 HydrophobicContact CB-CG 4.1Å; P860-L865 HydrophobicContact CG-CD2 4.44Å; P860-A915 WeakPolarHBondContact O-CA 3.48Å; P860-A916 PolarHBondContact O-N 3.05Å; P860-A1087 HydrophobicContact CB-CB 3.93Å; P860-A1087 HydrophobicContact CG-CB 4.08Å
861	S	93.4	Very high	92	Very high	7 Å²	7	25.9 Å²	25.9	5%	0.049	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-71.4	153.8	171.3	82.4	0	0	0	0	111.2	N863 S864 L865 Y914 H1090	S861-N863 PolarHBondContact O-N 3.09Å; S861-N863 WeakPolarHBondContact OG-CB 3.2Å; S861-N863 PolarHBondContact OG-N 3.09Å; S861-S864 WeakPolarHBondContact O-CB 3.4Å; S861-S864 PolarHBondContact O-N 3.28Å; S861-S864 WeakPolarHBondContact OG-CB 3.28Å; S861-S864 PolarHBondContact OG-N 3.2Å; S861-S864 PolarHBondContact OG-OG 3.45Å; S861-L865 WeakPolarHBondContact O-CG 3.33Å; S861-L865 PolarHBondContact O-N 3.16Å; S861-Y914 CarbonylContact C-O 3.55Å; S861-Y914 VanDerWaalsContact CA-O 3.31Å; S861-Y914 WeakPolarHBondContact CA-O 3.44Å; S861-H1090 VanDerWaalsContact CA-CD2 3.45Å; S861-H1090 WeakPolarHBondContact CA-CD2 3.46Å; S861-H1090 WeakPolarHBondContact CB-CD2 3.47Å
862	I	94.8	Very high	91.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-32.6	172.4	-57.6	-56.4	0	0	0	110.3	L865 L866 F880 V888 P911 Y914 I925 M985	I862-L865 HydrophobicContact CD1-CD1 4.28Å; I862-L866 WeakPolarHBondContact O-CG 3.49Å; I862-L866 PolarHBondContact O-N 3.13Å; I862-L866 VanDerWaalsContact O-N 3.08Å; I862-F880 HydrophobicContact CG2-CE2 3.85Å; I862-F880 HydrophobicContact CG2-CZ 4.39Å; I862-V888 HydrophobicContact CD1-CG1 4.25Å; I862-V888 HydrophobicContact CD1-CG2 4.19Å; I862-V888 HydrophobicContact CG1-CG1 4.22Å; I862-V888 HydrophobicContact CG2-CG1 4.22Å; I862-P911 HydrophobicContact CB-CB 4.18Å; I862-P911 WeakPolarHBondContact CB-O 3.41Å; I862-P911 HydrophobicContact CG2-CB 4.16Å; I862-P911 PolarHBondContact N-O 3.09Å; I862-Y914 PolarHBondContact N-O 3.28Å; I862-I925 HydrophobicContact CD1-CD1 4.27Å; I862-M985 HydrophobicContact CG2-SD 3.63Å
863	N	93.5	Very high	91.6	Very high	17 Å²	17	29.6 Å²	29.6	9%	0.091	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-45.1	172	-162.5	86	0	0	0	112.9	S861 L865 L866 E867 P911 H912	S861-N863 PolarHBondContact O-N 3.09Å; S861-N863 WeakPolarHBondContact OG-CB 3.2Å; S861-N863 PolarHBondContact OG-N 3.09Å; N863-L865 VanDerWaalsContact C-N 3.31Å; N863-L865 PolarHBondContact O-N 3.09Å; N863-L866 WeakPolarHBondContact O-CB 3.13Å; N863-L866 PolarHBondContact O-N 2.81Å; N863-L866 VanDerWaalsContact O-N 3.14Å; N863-E867 PolarHBondContact ND2-OE1 2.99Å; N863-E867 PolarHBondContact ND2-OE2 3.4Å; N863-E867 WeakPolarHBondContact O-CG 3.46Å; N863-E867 PolarHBondContact O-N 2.75Å; N863-P911 HydrophobicContact CB-CB 4.04Å; N863-P911 PolarHBondContact N-O 2.71Å; N863-P911 VanDerWaalsContact N-O 3.08Å; N863-H912 PolarHBondContact ND2-CE1 3.07Å; N863-H912 PolarHBondContact OD1-CE1 3.04Å; N863-H912 PolarHBondContact OD1-ND1 3.31Å
864	S	92.1	Very high	90.9	Very high	14 Å²	14	36.1 Å²	36.1	10%	0.098	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-36.6	-179.7	-55.6	0	0	0	0	111.7	S861 E867 S868	S861-S864 WeakPolarHBondContact O-CB 3.4Å; S861-S864 PolarHBondContact O-N 3.28Å; S861-S864 WeakPolarHBondContact OG-CB 3.28Å; S861-S864 PolarHBondContact OG-N 3.2Å; S861-S864 PolarHBondContact OG-OG 3.45Å; S864-E867 PolarHBondContact O-N 3.3Å; S864-S868 PolarHBondContact O-N 2.86Å
865	L	93.1	Very high	90.4	Very high	3 Å²	3	39 Å²	39	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-46.1	170.4	-68.7	170.1	0	0	0	110.9	P860 S861 I862 N863 E867 S868 F880 A916 W1074 T1084 A1087	P860-L865 HydrophobicContact CB-CD2 4.19Å; P860-L865 HydrophobicContact CB-CG 4.1Å; P860-L865 HydrophobicContact CG-CD2 4.44Å; S861-L865 WeakPolarHBondContact O-CG 3.33Å; S861-L865 PolarHBondContact O-N 3.16Å; I862-L865 HydrophobicContact CD1-CD1 4.28Å; N863-L865 VanDerWaalsContact C-N 3.31Å; N863-L865 PolarHBondContact O-N 3.09Å; L865-E867 PolarHBondContact O-N 3.16Å; L865-S868 PolarHBondContact O-N 3.48Å; L865-S868 PolarHBondContact O-OG 3.34Å; L865-F880 HydrophobicContact CB-CE1 3.98Å; L865-F880 HydrophobicContact CB-CZ 3.69Å; L865-A916 HydrophobicContact CD1-CB 4.14Å; L865-W1074 HydrophobicContact CD1-CD2 3.98Å; L865-W1074 HydrophobicContact CD1-CE3 3.88Å; L865-W1074 HydrophobicContact CD1-CG 4.31Å; L865-W1074 HydrophobicContact CD1-CZ3 4.41Å; L865-W1074 HydrophobicContact CD2-CB 4Å; L865-T1084 HydrophobicContact CD2-CG2 4.01Å; L865-A1087 HydrophobicContact CD2-CB 3.9Å; L865-A1087 HydrophobicContact CG-CB 4.5Å
866	L	92.4	Very high	89.8	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-39.5	174.3	-72.9	169.4	0	0	0	113.1	I862 N863 L869 T878 F880 M985	I862-L866 WeakPolarHBondContact O-CG 3.49Å; I862-L866 PolarHBondContact O-N 3.13Å; I862-L866 VanDerWaalsContact O-N 3.08Å; N863-L866 WeakPolarHBondContact O-CB 3.13Å; N863-L866 PolarHBondContact O-N 2.81Å; N863-L866 VanDerWaalsContact O-N 3.14Å; L866-L869 PolarHBondContact O-N 3.09Å; L866-T878 WeakPolarHBondContact O-CB 3.4Å; L866-T878 VanDerWaalsContact O-CG2 3.29Å; L866-T878 WeakPolarHBondContact O-CG2 3.46Å; L866-T878 PolarHBondContact O-OG1 2.99Å; L866-F880 HydrophobicContact CB-CZ 4.46Å; L866-F880 HydrophobicContact CD1-CE2 4.43Å; L866-F880 HydrophobicContact CD2-CD1 4.14Å; L866-F880 HydrophobicContact CD2-CD2 3.69Å; L866-F880 HydrophobicContact CD2-CE1 3.97Å; L866-F880 HydrophobicContact CD2-CE2 3.51Å; L866-F880 HydrophobicContact CD2-CG 3.99Å; L866-F880 HydrophobicContact CD2-CZ 3.65Å; L866-F880 HydrophobicContact CG-CD2 4.33Å; L866-F880 HydrophobicContact CG-CE1 4.28Å; L866-F880 HydrophobicContact CG-CE2 3.64Å; L866-F880 HydrophobicContact CG-CZ 3.61Å; L866-M985 HydrophobicContact CD1-CG 4.05Å; L866-M985 HydrophobicContact CD2-CG 4.43Å
867	E	89.9	Confident	89.5	Confident	101 Å²	101	43.3 Å²	43.3	47%	0.472	24%	0.239	S	C	.	.	H	α-helix	trans	-67.2	-37.1	179.9	-76.6	168.9	162.5	0	0	111.8	N863 S864 L865 L869 Q870	N863-E867 PolarHBondContact ND2-OE1 2.99Å; N863-E867 PolarHBondContact ND2-OE2 3.4Å; N863-E867 WeakPolarHBondContact O-CG 3.46Å; N863-E867 PolarHBondContact O-N 2.75Å; S864-E867 PolarHBondContact O-N 3.3Å; L865-E867 PolarHBondContact O-N 3.16Å; E867-L869 PolarHBondContact O-N 3.03Å; E867-Q870 VanDerWaalsContact O-CB 3.31Å; E867-Q870 WeakPolarHBondContact O-CB 3.33Å; E867-Q870 PolarHBondContact O-N 2.72Å
868	S	91	Very high	89.4	Confident	25 Å²	25	43.1 Å²	43.1	18%	0.175	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.2	174.5	73.4	0	0	0	0	114.4	S864 L865 Q1083 T1084	S864-S868 PolarHBondContact O-N 2.86Å; L865-S868 PolarHBondContact O-N 3.48Å; L865-S868 PolarHBondContact O-OG 3.34Å; S868-Q1083 WeakPolarHBondContact CB-O 3.45Å; S868-T1084 WeakPolarHBondContact OG-CA 3.3Å
869	L	91.9	Very high	89.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	7	176.5	-52.9	-173.4	0	0	0	113.7	L866 E867 D871 Q872 F873 T878 R879 F880 H1080 Q1083 T1084	L866-L869 PolarHBondContact O-N 3.09Å; E867-L869 PolarHBondContact O-N 3.03Å; L869-D871 VanDerWaalsContact C-N 3.29Å; L869-D871 PolarHBondContact O-N 3.32Å; L869-Q872 WeakPolarHBondContact O-CB 3.3Å; L869-Q872 PolarHBondContact O-N 2.97Å; L869-F873 HydrophobicContact CB-CD2 4.33Å; L869-F873 HydrophobicContact CB-CE2 4.05Å; L869-F873 HydrophobicContact CD1-CE2 4.41Å; L869-F873 WeakPolarHBondContact O-CD2 3.29Å; L869-T878 HydrophobicContact CB-CG2 4.41Å; L869-R879 WeakPolarHBondContact CD1-O 2.97Å; L869-F880 HydrophobicContact CD1-CD1 3.8Å; L869-F880 HydrophobicContact CD1-CE1 4Å; L869-H1080 HydrophobicContact CD1-CB 4.35Å; L869-H1080 HydrophobicContact CD2-CB 3.6Å; L869-Q1083 HydrophobicContact CD2-CB 3.69Å; L869-T1084 HydrophobicContact CD2-CG2 3.95Å
870	Q	86.3	Confident	89.7	Confident	110 Å²	110	46.9 Å²	46.9	51%	0.514	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-53.8	-44	-175.5	-176.6	163.8	-19.9	0	0	112.8	E867 Q872 F873 T878	E867-Q870 VanDerWaalsContact O-CB 3.31Å; E867-Q870 WeakPolarHBondContact O-CB 3.33Å; E867-Q870 PolarHBondContact O-N 2.72Å; Q870-Q872 PolarHBondContact O-N 3.36Å; Q870-F873 PolarHBondContact O-N 3.29Å; Q870-T878 VanDerWaalsContact CA-CG2 3.43Å; Q870-T878 HydrophobicContact CB-CG2 4.15Å
871	D	85.6	Confident	89.8	Confident	150 Å²	150	46.4 Å²	46.4	80%	0.802	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-76.5	-6.4	-178.1	-55.6	-38.9	0	0	0	113.9	L869	L869-D871 VanDerWaalsContact C-N 3.29Å; L869-D871 PolarHBondContact O-N 3.32Å
872	Q	87.4	Confident	89.9	Confident	84 Å²	84	47.7 Å²	47.7	39%	0.393	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-86.4	-13.3	177.1	-60.6	-59.1	-71.8	0	0	113.2	L869 Q870 Q1083	L869-Q872 WeakPolarHBondContact O-CB 3.3Å; L869-Q872 PolarHBondContact O-N 2.97Å; Q870-Q872 PolarHBondContact O-N 3.36Å; Q872-Q1083 VanDerWaalsContact CD-NE2 3.29Å; Q872-Q1083 HydrophobicContact CG-CG 3.84Å
873	F	87.2	Confident	90	Very high	28 Å²	28	47.7 Å²	47.7	12%	0.123	25%	0.254	C	S	.	.			trans	-130.3	99.1	-172.1	-61.6	-68.7	0	0	0	111.1	L869 Q870 D875 G876 T878 R879 H1080	L869-F873 HydrophobicContact CB-CD2 4.33Å; L869-F873 HydrophobicContact CB-CE2 4.05Å; L869-F873 HydrophobicContact CD1-CE2 4.41Å; L869-F873 WeakPolarHBondContact O-CD2 3.29Å; Q870-F873 PolarHBondContact O-N 3.29Å; F873-D875 PolarHBondContact O-N 3.09Å; F873-G876 PolarHBondContact O-N 3Å; F873-T878 HydrophobicContact CD2-CG2 4.5Å; F873-R879 HydrophobicContact CD1-CG 4.18Å; F873-R879 HydrophobicContact CD2-CG 4.43Å; F873-R879 HydrophobicContact CE1-CG 3.65Å; F873-R879 VanDerWaalsContact CE1-NE 3.32Å; F873-R879 HydrophobicContact CE2-CG 3.92Å; F873-R879 VanDerWaalsContact CE2-O 3.27Å; F873-R879 WeakPolarHBondContact CE2-O 3.42Å; F873-R879 HydrophobicContact CZ-CG 3.49Å; F873-R879 VanDerWaalsContact CZ-CG 3.49Å; F873-R879 WeakPolarHBondContact CZ-O 3.45Å; F873-H1080 AromaticContact CZ-NE2 3.92Å
874	S	79.4	Confident	90.1	Very high	138 Å²	138	46.9 Å²	46.9	97%	0.965	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.8	-179.1	54.3	0	0	0	0	115.1
875	D	84.5	Confident	90.3	Very high	60 Å²	60	46.2 Å²	46.2	32%	0.321	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	1.2	173.7	66.2	4.7	0	0	0	113.7	F873 R877 R879	F873-D875 PolarHBondContact O-N 3.09Å; D875-R877 VanDerWaalsContact CG-NE 3.34Å; D875-R877 PolarHBondContact O-N 2.91Å; D875-R877 WeakPolarHBondContact OD1-CB 3.47Å; D875-R877 PolarHBondContact OD1-N 3.24Å; D875-R877 IonicContact OD1-NE 3.34Å; D875-R877 IonicContact OD2-CZ 3.86Å; D875-R877 IonicContact OD2-NE 3.5Å; D875-R877 PolarHBondContact OD2-NE 3.23Å; D875-R877 IonicContact OD2-NH2 3.65Å; D875-R877 PolarHBondContact OD2-NH2 3.4Å; D875-R879 IonicContact OD2-NH1 3.07Å; D875-R879 PolarHBondContact OD2-NH1 3.35Å; D875-R879 IonicContact OD2-NH2 3Å
876	G	80.4	Confident	90.5	Very high	32 Å²	32	46.1 Å²	46.1	33%	0.33	24%	0.244	S	C	.	.	S	Bend	trans	65.6	18.8	-177.5	0	0	0	0	0	114.2	F873 R993	F873-G876 PolarHBondContact O-N 3Å; G876-R993 PolarHBondContact O-NH1 3.32Å; G876-R993 PolarHBondContact O-NH2 3.11Å
877	R	87.2	Confident	90.7	Very high	83 Å²	83	46.8 Å²	46.8	31%	0.313	25%	0.247	S	C	.	.			trans	-109.6	73.4	-179	-62	-175.9	-64.4	-169.4	-4.4	110.7	D875 R879	D875-R877 VanDerWaalsContact CG-NE 3.34Å; D875-R877 PolarHBondContact O-N 2.91Å; D875-R877 WeakPolarHBondContact OD1-CB 3.47Å; D875-R877 PolarHBondContact OD1-N 3.24Å; D875-R877 IonicContact OD1-NE 3.34Å; D875-R877 IonicContact OD2-CZ 3.86Å; D875-R877 IonicContact OD2-NE 3.5Å; D875-R877 PolarHBondContact OD2-NE 3.23Å; D875-R877 IonicContact OD2-NH2 3.65Å; D875-R877 PolarHBondContact OD2-NH2 3.4Å; R877-R879 PolarHBondContact O-N 3.09Å
878	T	92.1	Very high	91.1	Very high	11 Å²	11	42 Å²	42	7%	0.067	22%	0.224	C	C	.	.			trans	-54.3	126.8	178.1	57	0	0	0	0	112.2	L866 L869 Q870 F873 R984 G988	L866-T878 WeakPolarHBondContact O-CB 3.4Å; L866-T878 VanDerWaalsContact O-CG2 3.29Å; L866-T878 WeakPolarHBondContact O-CG2 3.46Å; L866-T878 PolarHBondContact O-OG1 2.99Å; L869-T878 HydrophobicContact CB-CG2 4.41Å; Q870-T878 VanDerWaalsContact CA-CG2 3.43Å; Q870-T878 HydrophobicContact CB-CG2 4.15Å; F873-T878 HydrophobicContact CD2-CG2 4.5Å; T878-R984 PolarHBondContact O-NH1 3.28Å; T878-R984 PolarHBondContact OG1-NH2 3.39Å; T878-G988 VanDerWaalsContact O-CA 3.25Å; T878-G988 WeakPolarHBondContact O-CA 3.43Å
879	R	94.6	Very high	91.4	Very high	80 Å²	80	40.8 Å²	40.8	30%	0.302	22%	0.216	S	C	.	.			trans	-143.9	152.6	-174.3	54.8	-172.8	167.2	-125.9	-7.4	109.6	L869 F873 D875 R877 M985	L869-R879 WeakPolarHBondContact CD1-O 2.97Å; F873-R879 HydrophobicContact CD1-CG 4.18Å; F873-R879 HydrophobicContact CD2-CG 4.43Å; F873-R879 HydrophobicContact CE1-CG 3.65Å; F873-R879 VanDerWaalsContact CE1-NE 3.32Å; F873-R879 HydrophobicContact CE2-CG 3.92Å; F873-R879 VanDerWaalsContact CE2-O 3.27Å; F873-R879 WeakPolarHBondContact CE2-O 3.42Å; F873-R879 HydrophobicContact CZ-CG 3.49Å; F873-R879 VanDerWaalsContact CZ-CG 3.49Å; F873-R879 WeakPolarHBondContact CZ-O 3.45Å; D875-R879 IonicContact OD2-NH1 3.07Å; D875-R879 PolarHBondContact OD2-NH1 3.35Å; D875-R879 IonicContact OD2-NH2 3Å; R877-R879 PolarHBondContact O-N 3.09Å; R879-M985 VanDerWaalsContact CA-O 3.3Å; R879-M985 WeakPolarHBondContact CA-O 3.3Å; R879-M985 WeakPolarHBondContact CB-O 3.43Å
880	F	95.4	Very high	91.6	Very high	10 Å²	10	41.3 Å²	41.3	4%	0.044	22%	0.218	C	C	.	.			trans	-89.7	165.7	172.2	-70.9	-46.8	0	0	0	111.1	I862 L865 L866 L869 M985 D1073 W1074	I862-F880 HydrophobicContact CG2-CE2 3.85Å; I862-F880 HydrophobicContact CG2-CZ 4.39Å; L865-F880 HydrophobicContact CB-CE1 3.98Å; L865-F880 HydrophobicContact CB-CZ 3.69Å; L866-F880 HydrophobicContact CB-CZ 4.46Å; L866-F880 HydrophobicContact CD1-CE2 4.43Å; L866-F880 HydrophobicContact CD2-CD1 4.14Å; L866-F880 HydrophobicContact CD2-CD2 3.69Å; L866-F880 HydrophobicContact CD2-CE1 3.97Å; L866-F880 HydrophobicContact CD2-CE2 3.51Å; L866-F880 HydrophobicContact CD2-CG 3.99Å; L866-F880 HydrophobicContact CD2-CZ 3.65Å; L866-F880 HydrophobicContact CG-CD2 4.33Å; L866-F880 HydrophobicContact CG-CE1 4.28Å; L866-F880 HydrophobicContact CG-CE2 3.64Å; L866-F880 HydrophobicContact CG-CZ 3.61Å; L869-F880 HydrophobicContact CD1-CD1 3.8Å; L869-F880 HydrophobicContact CD1-CE1 4Å; F880-M985 HydrophobicContact CD2-CB 4.15Å; F880-M985 HydrophobicContact CD2-CG 4.03Å; F880-M985 HydrophobicContact CD2-SD 3.98Å; F880-M985 HydrophobicContact CE2-CG 4.17Å; F880-M985 HydrophobicContact CE2-SD 3.92Å; F880-M985 PolarHBondContact N-O 2.92Å; F880-D1073 VanDerWaalsContact CB-OD2 3.29Å; F880-D1073 WeakPolarHBondContact CB-OD2 3.48Å; F880-D1073 HydrophobicContact CD1-CB 4.04Å; F880-W1074 HydrophobicContact CZ-CZ3 4.47Å
881	V	94.6	Very high	92.1	Very high	20 Å²	20	38.4 Å²	38.4	12%	0.121	20%	0.203	C	C	.	.			trans	-61.5	140.6	163.5	173.1	0	0	0	0	108.5	R883 S884 C885 D1073 Q1079	V881-R883 HydrophobicContact CG1-CB 4.32Å; V881-R883 PolarHBondContact O-N 3.24Å; V881-S884 WeakPolarHBondContact O-CA 3.3Å; V881-S884 WeakPolarHBondContact O-CB 3.41Å; V881-S884 PolarHBondContact O-N 3.13Å; V881-C885 PolarHBondContact O-N 3.39Å; V881-D1073 WeakPolarHBondContact CG2-OD1 3.32Å; V881-D1073 PolarHBondContact N-OD2 3.22Å; V881-Q1079 HydrophobicContact CG2-CB 3.95Å; V881-Q1079 HydrophobicContact CG2-CG 4.35Å
882	L	95.5	Very high	92.7	Very high	33 Å²	33	31.2 Å²	31.2	17%	0.173	16%	0.164	C	C	.	.	H	α-helix	trans	-54.2	-33.7	-173.9	-179.6	60.8	0	0	0	112.9	C885 I886 T986 P1029 L1060 K1064 Y1066	L882-C885 WeakPolarHBondContact O-CB 3.39Å; L882-C885 PolarHBondContact O-N 2.79Å; L882-I886 HydrophobicContact CD1-CD1 4.43Å; L882-I886 HydrophobicContact CD1-CG1 4.4Å; L882-I886 HydrophobicContact CG-CD1 4.07Å; L882-I886 WeakPolarHBondContact O-CD1 3.29Å; L882-I886 VanDerWaalsContact O-CG1 3.26Å; L882-I886 WeakPolarHBondContact O-CG1 3.43Å; L882-I886 PolarHBondContact O-N 3.09Å; L882-T986 HydrophobicContact CD1-CG2 4.1Å; L882-P1029 HydrophobicContact CD1-CG 4.05Å; L882-P1029 HydrophobicContact CD2-CG 4.47Å; L882-L1060 HydrophobicContact CD2-CD1 4.45Å; L882-K1064 HydrophobicContact CD2-CD 4.36Å; L882-K1064 HydrophobicContact CD2-CG 4.03Å; L882-Y1066 HydrophobicContact CB-CE2 4.28Å; L882-Y1066 HydrophobicContact CD2-CE2 4.43Å; L882-Y1066 HydrophobicContact CG-CE2 4.32Å
883	R	95.4	Very high	93.3	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-43.4	173.7	177.5	49.4	175.7	82	0.5	112.9	V881 Y887 Y1066 D1067 E1068 Y1070	V881-R883 HydrophobicContact CG1-CB 4.32Å; V881-R883 PolarHBondContact O-N 3.24Å; R883-Y887 WeakPolarHBondContact O-CB 3.48Å; R883-Y887 PolarHBondContact O-N 3.08Å; R883-Y1066 HydrophobicContact CB-CD1 4.07Å; R883-Y1066 HydrophobicContact CB-CD2 3.87Å; R883-Y1066 HydrophobicContact CB-CE1 4.13Å; R883-Y1066 HydrophobicContact CB-CE2 3.92Å; R883-Y1066 HydrophobicContact CB-CG 3.95Å; R883-Y1066 HydrophobicContact CG-CD1 4.4Å; R883-Y1066 HydrophobicContact CG-CD2 4.44Å; R883-Y1066 HydrophobicContact CG-CG 4.17Å; R883-D1067 PolarHBondContact NE-O 3.1Å; R883-D1067 PolarHBondContact NH2-O 3.47Å; R883-E1068 VanDerWaalsContact NH2-CA 3.33Å; R883-E1068 PolarHBondContact NH2-O 3.44Å; R883-E1068 IonicContact NH2-OE2 3.84Å; R883-E1068 PolarHBondContact NH2-OE2 3.43Å; R883-Y1070 HydrophobicContact CB-CD1 4.07Å; R883-Y1070 HydrophobicContact CB-CE1 4.35Å; R883-Y1070 HydrophobicContact CG-CD1 3.64Å; R883-Y1070 HydrophobicContact CG-CE1 4.4Å; R883-Y1070 HydrophobicContact CG-CG 4Å
884	S	96	Very high	93.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.9	-38.6	174.2	-47.5	0	0	0	0	111.4	V881 I886 Y887 V888 D1073	V881-S884 WeakPolarHBondContact O-CA 3.3Å; V881-S884 WeakPolarHBondContact O-CB 3.41Å; V881-S884 PolarHBondContact O-N 3.13Å; S884-I886 PolarHBondContact O-N 3.01Å; S884-Y887 WeakPolarHBondContact O-CB 3.32Å; S884-Y887 PolarHBondContact O-N 3.05Å; S884-V888 WeakPolarHBondContact O-CG2 3.36Å; S884-V888 PolarHBondContact O-N 3.19Å; S884-D1073 WeakPolarHBondContact CB-OD2 3.36Å; S884-D1073 VanDerWaalsContact OG-CG 3.26Å; S884-D1073 PolarHBondContact OG-N 3.03Å; S884-D1073 VanDerWaalsContact OG-N 3.1Å; S884-D1073 PolarHBondContact OG-OD2 2.79Å
885	C	97	Very high	94.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57.9	-48.3	174.1	-62	0	0	0	0	112.1	V881 L882 Y887 G889 L982 T986	V881-C885 PolarHBondContact O-N 3.39Å; L882-C885 WeakPolarHBondContact O-CB 3.39Å; L882-C885 PolarHBondContact O-N 2.79Å; C885-Y887 VanDerWaalsContact C-N 3.32Å; C885-Y887 PolarHBondContact O-N 3.27Å; C885-G889 PolarHBondContact O-N 3.23Å; C885-L982 HydrophobicContact CB-CD1 4.42Å; C885-L982 VanDerWaalsContact O-CD1 3.24Å; C885-L982 WeakPolarHBondContact O-CD1 3.38Å; C885-T986 WeakPolarHBondContact CB-OG1 3.31Å
886	I	96.9	Very high	95.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.3	-45.5	177.4	-64.8	160.9	0	0	0	109.7	L882 S884 G889 Q890 L1057 L1060 M1061 Y1066	L882-I886 HydrophobicContact CD1-CD1 4.43Å; L882-I886 HydrophobicContact CD1-CG1 4.4Å; L882-I886 HydrophobicContact CG-CD1 4.07Å; L882-I886 WeakPolarHBondContact O-CD1 3.29Å; L882-I886 VanDerWaalsContact O-CG1 3.26Å; L882-I886 WeakPolarHBondContact O-CG1 3.43Å; L882-I886 PolarHBondContact O-N 3.09Å; S884-I886 PolarHBondContact O-N 3.01Å; I886-G889 WeakPolarHBondContact O-CA 3.33Å; I886-G889 PolarHBondContact O-N 2.96Å; I886-Q890 HydrophobicContact CG2-CG 4.45Å; I886-Q890 WeakPolarHBondContact O-CG 3.49Å; I886-Q890 PolarHBondContact O-N 2.98Å; I886-L1057 HydrophobicContact CG2-CB 4.34Å; I886-L1060 HydrophobicContact CD1-CD2 3.91Å; I886-L1060 HydrophobicContact CD1-CG 3.82Å; I886-L1060 HydrophobicContact CG1-CD2 3.91Å; I886-L1060 HydrophobicContact CG1-CG 4.36Å; I886-M1061 HydrophobicContact CD1-CB 4.48Å; I886-M1061 HydrophobicContact CG2-CB 4.45Å; I886-M1061 HydrophobicContact CG2-CE 3.58Å; I886-Y1066 HydrophobicContact CD1-CD2 4.29Å
887	Y	96.7	Very high	96.1	Very high	17 Å²	17	18.3 Å²	18.3	7%	0.067	8%	0.079	C	C	.	.	H	α-helix	trans	-59.7	-54.6	-179.7	-164.6	-102	0	0	0	113.1	R883 S884 C885 G889 Q890 R891 R923 L1072	R883-Y887 WeakPolarHBondContact O-CB 3.48Å; R883-Y887 PolarHBondContact O-N 3.08Å; S884-Y887 WeakPolarHBondContact O-CB 3.32Å; S884-Y887 PolarHBondContact O-N 3.05Å; C885-Y887 VanDerWaalsContact C-N 3.32Å; C885-Y887 PolarHBondContact O-N 3.27Å; Y887-G889 VanDerWaalsContact C-N 3.25Å; Y887-G889 PolarHBondContact O-N 3.1Å; Y887-Q890 PolarHBondContact O-N 2.92Å; Y887-R891 HydrophobicContact CD1-CG 4.17Å; Y887-R891 HydrophobicContact CE1-CG 3.78Å; Y887-R891 HydrophobicContact CE2-CG 4.24Å; Y887-R891 WeakPolarHBondContact O-CG 3.22Å; Y887-R891 PolarHBondContact O-N 3.03Å; Y887-R923 WeakPolarHBondContact CE1-O 3.24Å; Y887-R923 WeakPolarHBondContact OH-CB 3.45Å; Y887-R923 PolarHBondContact OH-O 3.17Å; Y887-R923 VanDerWaalsContact OH-O 3.05Å; Y887-L1072 HydrophobicContact CD1-CD1 3.55Å; Y887-L1072 HydrophobicContact CD1-CD2 3.89Å; Y887-L1072 HydrophobicContact CD1-CG 4.41Å; Y887-L1072 HydrophobicContact CD2-CD2 4.25Å; Y887-L1072 HydrophobicContact CE1-CD1 3.67Å; Y887-L1072 HydrophobicContact CG-CD1 4.15Å; Y887-L1072 HydrophobicContact CG-CD2 3.66Å
888	V	97	Very high	96.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.7	-41.1	176.9	-179.4	0	0	0	0	109.5	I862 S884 Q890 S892 M985 W1074	I862-V888 HydrophobicContact CD1-CG1 4.25Å; I862-V888 HydrophobicContact CD1-CG2 4.19Å; I862-V888 HydrophobicContact CG1-CG1 4.22Å; I862-V888 HydrophobicContact CG2-CG1 4.22Å; S884-V888 WeakPolarHBondContact O-CG2 3.36Å; S884-V888 PolarHBondContact O-N 3.19Å; V888-Q890 PolarHBondContact O-N 3.05Å; V888-S892 WeakPolarHBondContact O-CB 3.31Å; V888-S892 PolarHBondContact O-N 3.33Å; V888-S892 PolarHBondContact O-OG 3.32Å; V888-M985 HydrophobicContact CB-CE 3.96Å; V888-M985 HydrophobicContact CB-SD 4.07Å; V888-M985 HydrophobicContact CG1-CE 3.75Å; V888-M985 HydrophobicContact CG1-SD 3.79Å; V888-W1074 HydrophobicContact CG2-CH2 3.58Å; V888-W1074 HydrophobicContact CG2-CZ3 4.26Å
889	G	97.3	Very high	96.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-51.9	-54.2	174.2	0	0	0	0	0	112.5	C885 I886 Y887 S892 L893 W978	C885-G889 PolarHBondContact O-N 3.23Å; I886-G889 WeakPolarHBondContact O-CA 3.33Å; I886-G889 PolarHBondContact O-N 2.96Å; Y887-G889 VanDerWaalsContact C-N 3.25Å; Y887-G889 PolarHBondContact O-N 3.1Å; G889-S892 PolarHBondContact O-OG 3.08Å; G889-L893 WeakPolarHBondContact O-CB 3.21Å; G889-L893 PolarHBondContact O-N 3.12Å; G889-L893 VanDerWaalsContact O-N 3.09Å; G889-W978 WeakPolarHBondContact O-CZ2 3.32Å; G889-W978 PolarHBondContact O-NE1 2.73Å
890	Q	97.6	Very high	97.1	Very high	10 Å²	10	11.4 Å²	11.4	5%	0.047	5%	0.054	C	C	.	.	H	α-helix	trans	-62.9	-55.1	179.1	-68.6	174.8	-56.6	0	0	112	I886 Y887 V888 S892 L893 E894 L1057 N1058 M1061	I886-Q890 HydrophobicContact CG2-CG 4.45Å; I886-Q890 WeakPolarHBondContact O-CG 3.49Å; I886-Q890 PolarHBondContact O-N 2.98Å; Y887-Q890 PolarHBondContact O-N 2.92Å; V888-Q890 PolarHBondContact O-N 3.05Å; Q890-S892 PolarHBondContact O-N 2.79Å; Q890-L893 PolarHBondContact O-N 2.99Å; Q890-L893 VanDerWaalsContact O-N 3.12Å; Q890-E894 WeakPolarHBondContact O-CG 3.09Å; Q890-E894 PolarHBondContact O-N 2.73Å; Q890-L1057 HydrophobicContact CG-CB 4.15Å; Q890-L1057 HydrophobicContact CG-CD1 3.83Å; Q890-N1058 PolarHBondContact NE2-OD1 2.94Å; Q890-M1061 VanDerWaalsContact OE1-CE 3.31Å
891	R	97.3	Very high	97.1	Very high	49 Å²	49	15 Å²	15	19%	0.185	9%	0.086	C	C	.	.	H	α-helix	trans	-67.3	-32.8	-174	-54.6	-57.6	160	-159	-3.3	113	H837 Y887 E894 A895 I925 E1068	H837-R891 PolarHBondContact CD2-O 3.48Å; H837-R891 VanDerWaalsContact CD2-O 3.28Å; H837-R891 PolarHBondContact NE2-O 3.38Å; Y887-R891 HydrophobicContact CD1-CG 4.17Å; Y887-R891 HydrophobicContact CE1-CG 3.78Å; Y887-R891 HydrophobicContact CE2-CG 4.24Å; Y887-R891 WeakPolarHBondContact O-CG 3.22Å; Y887-R891 PolarHBondContact O-N 3.03Å; R891-E894 VanDerWaalsContact CD-OE2 3.24Å; R891-E894 WeakPolarHBondContact CD-OE2 3.22Å; R891-E894 IonicContact CZ-OE2 3.84Å; R891-E894 IonicContact NE-OE2 3.23Å; R891-E894 IonicContact NH1-OE1 3.64Å; R891-E894 PolarHBondContact NH1-OE1 2.94Å; R891-E894 IonicContact NH1-OE2 2.71Å; R891-E894 PolarHBondContact NH1-OE2 3.07Å; R891-A895 PolarHBondContact O-N 2.94Å; R891-I925 HydrophobicContact CB-CB 4Å; R891-I925 HydrophobicContact CB-CG1 3.76Å; R891-I925 HydrophobicContact CG-CG1 4.39Å; R891-E1068 IonicContact NH2-OE1 3.49Å; R891-E1068 PolarHBondContact NH2-OE1 3.19Å
892	S	98	Very high	97.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-74.1	-29.7	172.6	61.4	0	0	0	0	113.5	V888 G889 Q890 A895 L896 Y914 W978 M981	V888-S892 WeakPolarHBondContact O-CB 3.31Å; V888-S892 PolarHBondContact O-N 3.33Å; V888-S892 PolarHBondContact O-OG 3.32Å; G889-S892 PolarHBondContact O-OG 3.08Å; Q890-S892 PolarHBondContact O-N 2.79Å; S892-A895 WeakPolarHBondContact O-CB 2.54Å; S892-A895 PolarHBondContact O-N 3.12Å; S892-L896 PolarHBondContact O-N 2.9Å; S892-Y914 PolarHBondContact O-OH 3.11Å; S892-W978 PolarHBondContact OG-NE1 2.98Å; S892-M981 WeakPolarHBondContact OG-CE 3.45Å
893	L	98.3	Very high	97.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-71.2	-41.3	173.5	-172.5	60.1	0	0	0	111.4	G889 Q890 A895 L896 E897 V975 W978 Y1050 I1053 Y1054	G889-L893 WeakPolarHBondContact O-CB 3.21Å; G889-L893 PolarHBondContact O-N 3.12Å; G889-L893 VanDerWaalsContact O-N 3.09Å; Q890-L893 PolarHBondContact O-N 2.99Å; Q890-L893 VanDerWaalsContact O-N 3.12Å; L893-A895 PolarHBondContact O-N 2.85Å; L893-L896 PolarHBondContact O-N 3.43Å; L893-L896 VanDerWaalsContact O-N 3.08Å; L893-E897 WeakPolarHBondContact O-CB 3.18Å; L893-E897 PolarHBondContact O-N 2.85Å; L893-V975 HydrophobicContact CD1-CG1 4.15Å; L893-V975 HydrophobicContact CD1-CG2 4.22Å; L893-W978 HydrophobicContact CB-CZ2 4.01Å; L893-W978 HydrophobicContact CD1-CD2 4.1Å; L893-W978 HydrophobicContact CD1-CE3 4.32Å; L893-W978 HydrophobicContact CD1-CG 4.47Å; L893-W978 HydrophobicContact CD2-CH2 4.11Å; L893-W978 HydrophobicContact CD2-CZ2 4.02Å; L893-W978 HydrophobicContact CG-CZ2 4.44Å; L893-Y1050 HydrophobicContact CD1-CD1 3.83Å; L893-Y1050 HydrophobicContact CD1-CE1 4.06Å; L893-Y1050 HydrophobicContact CD2-CD1 4.41Å; L893-Y1050 HydrophobicContact CG-CD1 4.02Å; L893-I1053 HydrophobicContact CD2-CB 4.01Å; L893-I1053 HydrophobicContact CD2-CD1 4.47Å; L893-I1053 HydrophobicContact CD2-CG2 3.56Å; L893-Y1054 HydrophobicContact CB-CE1 4.01Å; L893-Y1054 HydrophobicContact CD2-CD1 4.15Å; L893-Y1054 HydrophobicContact CD2-CE1 3.72Å; L893-Y1054 HydrophobicContact CG-CE1 3.99Å
894	E	98.1	Very high	97.1	Very high	26 Å²	26	14.7 Å²	14.7	12%	0.121	8%	0.084	C	C	.	.	H	α-helix	trans	-56.6	-37.2	172.6	-72.3	-177.5	148.6	0	0	111.8	R836 H837 Q890 R891 E897 D898 Y1054	R836-E894 VanDerWaalsContact NH1-CG 3.27Å; R836-E894 IonicContact NH1-OE1 3.97Å; R836-E894 PolarHBondContact NH1-OE1 3.48Å; R836-E894 VanDerWaalsContact NH1-OE1 3.12Å; R836-E894 IonicContact NH1-OE2 3.89Å; R836-E894 PolarHBondContact NH2-O 2.94Å; H837-E894 VanDerWaalsContact CD2-CB 3.48Å; H837-E894 WeakPolarHBondContact CD2-CB 3.04Å; H837-E894 IonicContact CD2-OE2 3.12Å; H837-E894 IonicContact CE1-OE2 3.46Å; H837-E894 PolarHBondContact CE1-OE2 3.49Å; H837-E894 WeakPolarHBondContact NE2-CB 2.71Å; H837-E894 IonicContact NE2-OE2 3.14Å; H837-E894 PolarHBondContact NE2-OE2 2.98Å; Q890-E894 WeakPolarHBondContact O-CG 3.09Å; Q890-E894 PolarHBondContact O-N 2.73Å; R891-E894 VanDerWaalsContact CD-OE2 3.24Å; R891-E894 WeakPolarHBondContact CD-OE2 3.22Å; R891-E894 IonicContact CZ-OE2 3.84Å; R891-E894 IonicContact NE-OE2 3.23Å; R891-E894 IonicContact NH1-OE1 3.64Å; R891-E894 PolarHBondContact NH1-OE1 2.94Å; R891-E894 IonicContact NH1-OE2 2.71Å; R891-E894 PolarHBondContact NH1-OE2 3.07Å; E894-E897 PolarHBondContact O-N 2.99Å; E894-D898 VanDerWaalsContact O-CG 3.26Å; E894-D898 PolarHBondContact O-N 3.2Å; E894-Y1054 VanDerWaalsContact CA-OH 3.23Å; E894-Y1054 WeakPolarHBondContact CA-OH 3.49Å; E894-Y1054 HydrophobicContact CG-CE1 4.01Å; E894-Y1054 VanDerWaalsContact CG-OH 3.29Å; E894-Y1054 WeakPolarHBondContact CG-OH 3.46Å; E894-Y1054 PolarHBondContact N-OH 2.93Å
895	A	97.9	Very high	97.1	Very high	3 Å²	3	14.9 Å²	14.9	3%	0.025	8%	0.084	C	C	.	.	H	α-helix	trans	-66	-38.3	176.2	0	0	0	0	0	113	H837 R891 S892 L893 L899 Y914 L927	H837-A895 HydrophobicContact CB-CB 3.51Å; R891-A895 PolarHBondContact O-N 2.94Å; S892-A895 WeakPolarHBondContact O-CB 2.54Å; S892-A895 PolarHBondContact O-N 3.12Å; L893-A895 PolarHBondContact O-N 2.85Å; A895-L899 WeakPolarHBondContact O-CB 3.3Å; A895-L899 PolarHBondContact O-N 2.91Å; A895-L899 VanDerWaalsContact O-N 3.12Å; A895-Y914 HydrophobicContact CB-CE1 4.23Å; A895-L927 HydrophobicContact CB-CB 3.93Å; A895-L927 HydrophobicContact CB-CD2 3.98Å
896	L	98.2	Very high	97	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-73.4	-37.7	175.1	-66.5	177.8	0	0	0	111.8	S892 L893 L899 H900 H906 V909 Y914 L927 D974 W978	S892-L896 PolarHBondContact O-N 2.9Å; L893-L896 PolarHBondContact O-N 3.43Å; L893-L896 VanDerWaalsContact O-N 3.08Å; L896-L899 PolarHBondContact O-N 2.86Å; L896-H900 VanDerWaalsContact O-CB 3.3Å; L896-H900 WeakPolarHBondContact O-CB 3.43Å; L896-H900 PolarHBondContact O-N 3.16Å; L896-H900 PolarHBondContact O-ND1 3.29Å; L896-H906 HydrophobicContact CD2-CB 4.31Å; L896-V909 HydrophobicContact CD1-CG1 4.2Å; L896-V909 HydrophobicContact CD1-CG2 4.25Å; L896-V909 HydrophobicContact CD2-CG2 3.77Å; L896-Y914 WeakPolarHBondContact CG-OH 3.46Å; L896-L927 HydrophobicContact CD2-CD2 4.43Å; L896-D974 HydrophobicContact CD1-CB 4.44Å; L896-D974 HydrophobicContact CD2-CB 4.41Å; L896-W978 HydrophobicContact CD1-CB 3.77Å; L896-W978 HydrophobicContact CD1-CG 4.33Å
897	E	98	Very high	96.9	Very high	42 Å²	42	16.5 Å²	16.5	20%	0.196	9%	0.091	C	C	.	.	H	α-helix	trans	-57.9	-48.6	173.4	-178.3	175.8	-136.5	0	0	111	R836 L893 E894 L899 H900 A901 Y1050 Y1054	R836-E897 IonicContact CZ-OE2 3.59Å; R836-E897 IonicContact NH2-OE2 2.95Å; R836-E897 PolarHBondContact NH2-OE2 3.36Å; L893-E897 WeakPolarHBondContact O-CB 3.18Å; L893-E897 PolarHBondContact O-N 2.85Å; E894-E897 PolarHBondContact O-N 2.99Å; E897-L899 PolarHBondContact O-N 3.01Å; E897-H900 PolarHBondContact O-N 2.62Å; E897-A901 WeakPolarHBondContact O-CB 3.26Å; E897-A901 PolarHBondContact O-N 2.89Å; E897-Y1050 HydrophobicContact CB-CD1 4.18Å; E897-Y1050 HydrophobicContact CB-CE1 4.19Å; E897-Y1050 HydrophobicContact CB-CG 4.45Å; E897-Y1050 HydrophobicContact CG-CD1 4.48Å; E897-Y1050 HydrophobicContact CG-CD2 4.21Å; E897-Y1050 HydrophobicContact CG-CE2 4.42Å; E897-Y1050 HydrophobicContact CG-CG 4.26Å; E897-Y1054 PolarHBondContact OE2-OH 2.82Å
898	D	97.8	Very high	96.8	Very high	23 Å²	23	16.3 Å²	16.3	12%	0.123	9%	0.091	C	C	.	.	H	α-helix	trans	-61.7	-42.8	175.8	-68.6	-1.4	0	0	0	111.7	A835 R836 E894 A901 N902	A835-D898 HydrophobicContact CB-CB 3.98Å; R836-D898 WeakPolarHBondContact CB-OD2 3.48Å; R836-D898 WeakPolarHBondContact CG-OD2 3.15Å; R836-D898 IonicContact CZ-OD1 3.83Å; R836-D898 VanDerWaalsContact CZ-OD1 3.29Å; R836-D898 PolarHBondContact N-OD2 2.9Å; R836-D898 IonicContact NE-OD1 3.05Å; R836-D898 PolarHBondContact NE-OD1 2.81Å; R836-D898 IonicContact NE-OD2 3.29Å; R836-D898 PolarHBondContact NE-OD2 2.88Å; R836-D898 VanDerWaalsContact NE-OD2 3.14Å; R836-D898 IonicContact NH2-OD1 2.72Å; R836-D898 PolarHBondContact NH2-OD1 3.38Å; E894-D898 VanDerWaalsContact O-CG 3.26Å; E894-D898 PolarHBondContact O-N 3.2Å; D898-A901 PolarHBondContact O-N 2.73Å; D898-N902 PolarHBondContact O-N 2.91Å; D898-N902 VanDerWaalsContact O-N 3.13Å; D898-N902 PolarHBondContact O-ND2 2.82Å
899	L	97.8	Very high	96.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-62.7	-44.5	176.9	-176.3	71.3	0	0	0	112.2	V826 L830 A895 L896 E897 N902 G903 F904 H906 L927 F930	V826-L899 HydrophobicContact CG1-CD1 3.83Å; L830-L899 HydrophobicContact CD1-CD1 3.75Å; L830-L899 HydrophobicContact CD2-CD1 4.3Å; A895-L899 WeakPolarHBondContact O-CB 3.3Å; A895-L899 PolarHBondContact O-N 2.91Å; A895-L899 VanDerWaalsContact O-N 3.12Å; L896-L899 PolarHBondContact O-N 2.86Å; E897-L899 PolarHBondContact O-N 3.01Å; L899-N902 CarbonylContact O-C 3.59Å; L899-N902 PolarHBondContact O-N 3.12Å; L899-G903 PolarHBondContact O-N 3.22Å; L899-F904 CarbonylContact C-O 3.58Å; L899-F904 HydrophobicContact CD1-CB 3.81Å; L899-F904 HydrophobicContact CG-CB 4.11Å; L899-F904 PolarHBondContact O-N 3.46Å; L899-H906 HydrophobicContact CD2-CB 3.64Å; L899-L927 HydrophobicContact CD2-CD2 4.36Å; L899-F930 HydrophobicContact CD1-CD1 4.26Å; L899-F930 HydrophobicContact CD1-CE1 4.24Å
900	H	97.4	Very high	96.6	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.019	9%	0.094	C	C	.	.	H	α-helix	trans	-67.7	-40.7	178.3	-67.3	147	0	0	0	111.5	L896 E897 N902 G903 F904 Y936 R971 D974 Y1050	L896-H900 VanDerWaalsContact O-CB 3.3Å; L896-H900 WeakPolarHBondContact O-CB 3.43Å; L896-H900 PolarHBondContact O-N 3.16Å; L896-H900 PolarHBondContact O-ND1 3.29Å; E897-H900 PolarHBondContact O-N 2.62Å; H900-N902 PolarHBondContact O-N 2.86Å; H900-G903 WeakPolarHBondContact O-CA 3.38Å; H900-G903 PolarHBondContact O-N 2.84Å; H900-F904 PolarHBondContact CD2-O 2.82Å; H900-F904 VanDerWaalsContact CD2-O 3.26Å; H900-Y936 PolarHBondContact O-OH 2.77Å; H900-R971 HydrophobicContact CB-CG 4.23Å; H900-R971 PolarHBondContact CE1-O 3.2Å; H900-D974 IonicContact NE2-OD2 2.77Å; H900-D974 PolarHBondContact NE2-OD2 3.06Å; H900-Y1050 AromaticContact ND1-CZ 3.91Å; H900-Y1050 PolarHBondContact ND1-OH 2.85Å
901	A	95.5	Very high	96.4	Very high	86 Å²	86	16.4 Å²	16.4	71%	0.711	9%	0.091	S	C	*	.	H	α-helix	trans	-59	-34.2	173.7	0	0	0	0	0	112.1	E897 D898 G903	E897-A901 WeakPolarHBondContact O-CB 3.26Å; E897-A901 PolarHBondContact O-N 2.89Å; D898-A901 PolarHBondContact O-N 2.73Å; A901-G903 PolarHBondContact O-N 3.17Å
902	N	95.3	Very high	96.1	Very high	32 Å²	32	17.2 Å²	17.2	17%	0.171	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	4.3	173.6	-77.9	-91.9	0	0	0	114.2	L830 N833 D898 L899 H900 F904	L830-N902 HydrophobicContact CD2-CB 3.81Å; N833-N902 WeakPolarHBondContact CB-OD1 3.31Å; N833-N902 PolarHBondContact ND2-OD1 2.97Å; D898-N902 PolarHBondContact O-N 2.91Å; D898-N902 VanDerWaalsContact O-N 3.13Å; D898-N902 PolarHBondContact O-ND2 2.82Å; L899-N902 CarbonylContact O-C 3.59Å; L899-N902 PolarHBondContact O-N 3.12Å; H900-N902 PolarHBondContact O-N 2.86Å; N902-F904 HydrophobicContact CB-CD2 4.21Å; N902-F904 WeakPolarHBondContact O-CD2 3.22Å; N902-F904 WeakPolarHBondContact O-CE2 3.4Å
903	G	95	Very high	95.9	Very high	3 Å²	3	17.2 Å²	17.2	3%	0.031	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	14.9	171.6	0	0	0	0	0	115.6	L899 H900 A901 K935 Y936	L899-G903 PolarHBondContact O-N 3.22Å; H900-G903 WeakPolarHBondContact O-CA 3.38Å; H900-G903 PolarHBondContact O-N 2.84Å; A901-G903 PolarHBondContact O-N 3.17Å; G903-K935 CarbonylContact O-C 3.55Å; G903-K935 WeakPolarHBondContact O-CA 3.38Å; G903-K935 WeakPolarHBondContact O-CG 3.38Å; G903-Y936 WeakPolarHBondContact O-CD1 2.99Å; G903-Y936 PolarHBondContact O-N 3.28Å
904	F	96.4	Very high	95.8	Very high	13 Å²	13	17.2 Å²	17.2	6%	0.057	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.7	178.8	-61.5	-81.5	0	0	0	112.1	V826 T829 L899 H900 N902 R934 K935	V826-F904 HydrophobicContact CG1-CD2 4.42Å; V826-F904 HydrophobicContact CG1-CG 4.43Å; V826-F904 HydrophobicContact CG2-CD1 3.69Å; V826-F904 HydrophobicContact CG2-CD2 4.45Å; V826-F904 HydrophobicContact CG2-CE1 3.7Å; V826-F904 HydrophobicContact CG2-CE2 4.46Å; V826-F904 HydrophobicContact CG2-CG 4.07Å; V826-F904 HydrophobicContact CG2-CZ 4.1Å; T829-F904 HydrophobicContact CG2-CE2 4.21Å; L899-F904 CarbonylContact C-O 3.58Å; L899-F904 HydrophobicContact CD1-CB 3.81Å; L899-F904 HydrophobicContact CG-CB 4.11Å; L899-F904 PolarHBondContact O-N 3.46Å; H900-F904 PolarHBondContact CD2-O 2.82Å; H900-F904 VanDerWaalsContact CD2-O 3.26Å; N902-F904 HydrophobicContact CB-CD2 4.21Å; N902-F904 WeakPolarHBondContact O-CD2 3.22Å; N902-F904 WeakPolarHBondContact O-CE2 3.4Å; F904-R934 WeakPolarHBondContact CA-O 3.45Å; F904-K935 HydrophobicContact CD1-CB 3.82Å; F904-K935 HydrophobicContact CD1-CG 4.15Å; F904-K935 HydrophobicContact CE1-CB 3.72Å; F904-K935 HydrophobicContact CE1-CD 4.14Å; F904-K935 HydrophobicContact CE1-CG 3.92Å; F904-K935 HydrophobicContact CZ-CD 4.29Å; F904-K935 HydrophobicContact CZ-CG 4.4Å
905	L	95.9	Very high	95.7	Very high	3 Å²	3	16 Å²	16	2%	0.016	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	147.5	165.3	-54.7	178.3	0	0	0	109	R907 C933 R934 Y936 Q969 R971 D974	L905-R907 HydrophobicContact CB-CG 3.86Å; L905-C933 CarbonylContact O-C 3.59Å; L905-C933 WeakPolarHBondContact O-CA 3.24Å; L905-C933 WeakPolarHBondContact O-CB 3.25Å; L905-C933 PolarHBondContact O-SG 3.06Å; L905-C933 VanDerWaalsContact O-SG 3.4Å; L905-R934 PolarHBondContact N-O 2.93Å; L905-R934 PolarHBondContact O-N 3.08Å; L905-Y936 HydrophobicContact CD2-CD1 3.57Å; L905-Y936 HydrophobicContact CD2-CE1 4.1Å; L905-Y936 HydrophobicContact CD2-CG 4.13Å; L905-Y936 HydrophobicContact CG-CD1 3.76Å; L905-Y936 HydrophobicContact CG-CG 4.18Å; L905-Q969 HydrophobicContact CD1-CB 4.41Å; L905-Q969 WeakPolarHBondContact CD1-O 3.45Å; L905-R971 HydrophobicContact CD2-CB 4.33Å; L905-R971 HydrophobicContact CD2-CG 3.76Å; L905-D974 WeakPolarHBondContact CA-OD2 3.22Å; L905-D974 WeakPolarHBondContact CB-OD2 3.26Å
906	H	95.5	Very high	95.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.			trans	-81.8	-49.9	178.1	-162.3	-59	0	0	0	112.9	L896 L899 D908 V909 L928 D929 M932 D974	L896-H906 HydrophobicContact CD2-CB 4.31Å; L899-H906 HydrophobicContact CD2-CB 3.64Å; H906-D908 VanDerWaalsContact C-N 3.27Å; H906-D908 PolarHBondContact ND1-N 3.17Å; H906-D908 PolarHBondContact O-N 2.89Å; H906-V909 HydrophobicContact CB-CG2 3.85Å; H906-L928 PolarHBondContact NE2-O 3.07Å; H906-L928 VanDerWaalsContact NE2-O 3.16Å; H906-D929 PolarHBondContact CE1-O 3.25Å; H906-D929 VanDerWaalsContact CE1-O 3.31Å; H906-M932 CarbonylContact O-C 3.57Å; H906-D974 PolarHBondContact N-OD2 2.93Å
907	R	93.8	Very high	95.2	Very high	34 Å²	34	16 Å²	16	13%	0.128	9%	0.092	C	C	.	.	S	Bend	trans	66.9	11.2	177.9	-47	-168.5	-62.4	154.2	-0	116.9	L905 M932 D974	L905-R907 HydrophobicContact CB-CG 3.86Å; R907-M932 PolarHBondContact NE-O 3.26Å; R907-M932 PolarHBondContact NH2-O 2.72Å; R907-D974 WeakPolarHBondContact CA-OD1 3.46Å; R907-D974 PolarHBondContact N-OD1 3.12Å
908	D	93.6	Very high	94.7	Very high	13 Å²	13	17.4 Å²	17.4	7%	0.07	10%	0.095	C	C	.	.			trans	-153	44.7	173.7	-162.6	31.8	0	0	0	112.3	H906 K910 N913 M932 G954 T955	H906-D908 VanDerWaalsContact C-N 3.27Å; H906-D908 PolarHBondContact ND1-N 3.17Å; H906-D908 PolarHBondContact O-N 2.89Å; D908-K910 PolarHBondContact O-N 2.99Å; D908-K910 IonicContact OD1-NZ 2.76Å; D908-K910 VanDerWaalsContact OD2-CE 3.3Å; D908-K910 WeakPolarHBondContact OD2-CE 3.4Å; D908-K910 IonicContact OD2-NZ 2.86Å; D908-K910 PolarHBondContact OD2-NZ 2.93Å; D908-N913 PolarHBondContact O-ND2 2.82Å; D908-N913 VanDerWaalsContact O-ND2 3.1Å; D908-M932 HydrophobicContact CB-CB 4.37Å; D908-M932 HydrophobicContact CB-CG 4.43Å; D908-G954 WeakPolarHBondContact OD1-CA 3.26Å; D908-T955 VanDerWaalsContact OD1-CB 3.27Å; D908-T955 WeakPolarHBondContact OD1-CB 3.48Å; D908-T955 PolarHBondContact OD1-N 2.99Å; D908-T955 PolarHBondContact OD1-OG1 2.96Å
909	V	96	Very high	94	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.018	12%	0.115	C	C	.	.			trans	-69.7	121.1	-179.5	-179.6	0	0	0	0	110.5	L896 H906 Y914 Y958 D974 W978	L896-V909 HydrophobicContact CD1-CG1 4.2Å; L896-V909 HydrophobicContact CD1-CG2 4.25Å; L896-V909 HydrophobicContact CD2-CG2 3.77Å; H906-V909 HydrophobicContact CB-CG2 3.85Å; V909-Y914 HydrophobicContact CG1-CE2 3.88Å; V909-Y958 WeakPolarHBondContact O-CB 3.37Å; V909-D974 HydrophobicContact CG2-CB 3.95Å; V909-D974 WeakPolarHBondContact CG2-OD1 3.36Å; V909-W978 HydrophobicContact CG1-CB 4.12Å
910	K	94.4	Very high	93.3	Very high	10 Å²	10	25.4 Å²	25.4	4%	0.043	15%	0.149	C	C	.	.	S	Bend	trans	-163.7	160.9	-177	62.7	-168.6	172.1	-166.7	0	110.6	D908 H912 N913 Y914 T955 Y958	D908-K910 PolarHBondContact O-N 2.99Å; D908-K910 IonicContact OD1-NZ 2.76Å; D908-K910 VanDerWaalsContact OD2-CE 3.3Å; D908-K910 WeakPolarHBondContact OD2-CE 3.4Å; D908-K910 IonicContact OD2-NZ 2.86Å; D908-K910 PolarHBondContact OD2-NZ 2.93Å; K910-H912 HydrophobicContact CD-CB 4.28Å; K910-H912 HydrophobicContact CG-CB 4.09Å; K910-H912 PolarHBondContact O-N 2.54Å; K910-N913 VanDerWaalsContact CE-CG 3.4Å; K910-N913 WeakPolarHBondContact CE-ND2 3.13Å; K910-N913 WeakPolarHBondContact CE-OD1 3.31Å; K910-N913 HydrophobicContact CG-CB 4.2Å; K910-N913 PolarHBondContact O-N 3.42Å; K910-Y914 WeakPolarHBondContact O-CD2 3.49Å; K910-T955 HydrophobicContact CD-CG2 4.32Å; K910-T955 VanDerWaalsContact CD-OG1 3.28Å; K910-T955 WeakPolarHBondContact CD-OG1 3.24Å; K910-T955 PolarHBondContact NZ-OG1 2.96Å; K910-Y958 HydrophobicContact CB-CD2 3.52Å; K910-Y958 HydrophobicContact CB-CE2 3.9Å; K910-Y958 HydrophobicContact CB-CG 4.05Å
911	P	93.8	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61.6	-16.6	-178.9	-9.2	15.2	0	0	0	115.1	I862 N863 Y958 M981	I862-P911 HydrophobicContact CB-CB 4.18Å; I862-P911 WeakPolarHBondContact CB-O 3.41Å; I862-P911 HydrophobicContact CG2-CB 4.16Å; I862-P911 PolarHBondContact N-O 3.09Å; N863-P911 HydrophobicContact CB-CB 4.04Å; N863-P911 PolarHBondContact N-O 2.71Å; N863-P911 VanDerWaalsContact N-O 3.08Å; P911-Y958 VanDerWaalsContact CD-CZ 3.4Å; P911-Y958 HydrophobicContact CG-CE1 4.27Å; P911-Y958 WeakPolarHBondContact CG-OH 3.1Å; P911-M981 HydrophobicContact CB-CG 4.41Å; P911-M981 HydrophobicContact CB-SD 4.27Å; P911-M981 HydrophobicContact CG-CB 4.48Å; P911-M981 HydrophobicContact CG-CG 3.91Å; P911-M981 HydrophobicContact CG-SD 4.25Å
912	H	91.3	Very high	92.5	Very high	66 Å²	66	30 Å²	30	31%	0.306	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-76.9	-23.7	175.2	-62.4	58.3	0	0	0	112.9	N863 K910 Y914 H1090	N863-H912 PolarHBondContact ND2-CE1 3.07Å; N863-H912 PolarHBondContact OD1-CE1 3.04Å; N863-H912 PolarHBondContact OD1-ND1 3.31Å; K910-H912 HydrophobicContact CD-CB 4.28Å; K910-H912 HydrophobicContact CG-CB 4.09Å; K910-H912 PolarHBondContact O-N 2.54Å; H912-Y914 VanDerWaalsContact C-N 3.3Å; H912-H1090 PolarHBondContact O-NE2 3.12Å
913	N	93.9	Very high	92.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-97.7	15.2	-178	-71.4	15.3	0	0	0	111.5	D908 K910 L928	D908-N913 PolarHBondContact O-ND2 2.82Å; D908-N913 VanDerWaalsContact O-ND2 3.1Å; K910-N913 VanDerWaalsContact CE-CG 3.4Å; K910-N913 WeakPolarHBondContact CE-ND2 3.13Å; K910-N913 WeakPolarHBondContact CE-OD1 3.31Å; K910-N913 HydrophobicContact CG-CB 4.2Å; K910-N913 PolarHBondContact O-N 3.42Å; N913-L928 PolarHBondContact O-N 3.21Å
914	Y	96.2	Very high	92.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.5	167.9	-67.1	-85.2	0	0	0	109.7	S861 I862 S892 A895 L896 V909 K910 H912 I925 Y926 L927 M981	S861-Y914 CarbonylContact C-O 3.55Å; S861-Y914 VanDerWaalsContact CA-O 3.31Å; S861-Y914 WeakPolarHBondContact CA-O 3.44Å; I862-Y914 PolarHBondContact N-O 3.28Å; S892-Y914 PolarHBondContact O-OH 3.11Å; A895-Y914 HydrophobicContact CB-CE1 4.23Å; L896-Y914 WeakPolarHBondContact CG-OH 3.46Å; V909-Y914 HydrophobicContact CG1-CE2 3.88Å; K910-Y914 WeakPolarHBondContact O-CD2 3.49Å; H912-Y914 VanDerWaalsContact C-N 3.3Å; Y914-I925 HydrophobicContact CD1-CG2 3.96Å; Y914-Y926 CarbonylContact C-O 3.59Å; Y914-Y926 VanDerWaalsContact CA-O 3.23Å; Y914-Y926 WeakPolarHBondContact CA-O 3.42Å; Y914-L927 HydrophobicContact CD1-CB 4.42Å; Y914-L927 HydrophobicContact CD1-CD1 4.13Å; Y914-L927 HydrophobicContact CE1-CB 4.15Å; Y914-L927 HydrophobicContact CE1-CD1 3.51Å; Y914-L927 HydrophobicContact CE1-CG 4.39Å; Y914-L927 HydrophobicContact CE2-CD1 4.28Å; Y914-M981 HydrophobicContact CD2-CE 3.83Å; Y914-M981 HydrophobicContact CD2-SD 3.65Å; Y914-M981 HydrophobicContact CE2-CE 3.58Å; Y914-M981 HydrophobicContact CE2-SD 3.81Å
915	A	95	Very high	92.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.1	174.8	0	0	0	0	0	111.9	V858 P860 I925 Y926 L928	V858-A915 HydrophobicContact CB-CB 3.95Å; V858-A915 HydrophobicContact CG2-CB 3.66Å; P860-A915 WeakPolarHBondContact O-CA 3.48Å; A915-I925 CarbonylContact O-C 3.56Å; A915-I925 WeakPolarHBondContact O-CA 3.48Å; A915-Y926 PolarHBondContact N-O 2.89Å; A915-Y926 PolarHBondContact O-N 3.23Å; A915-L928 HydrophobicContact CB-CD1 3.7Å
916	A	93.8	Very high	92.3	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.017	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	156.5	164	0	0	0	0	0	110.2	G859 P860 L865 K924	G859-A916 WeakPolarHBondContact CA-O 3.47Å; G859-A916 PolarHBondContact N-O 3.44Å; P860-A916 PolarHBondContact O-N 3.05Å; L865-A916 HydrophobicContact CD1-CB 4.14Å; A916-K924 CarbonylContact C-O 3.54Å
917	G	91.8	Very high	92.4	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.021	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-70.4	169.7	172.5	0	0	0	0	0	112.7	H921 K924	G917-H921 WeakPolarHBondContact CA-O 3.38Å; G917-K924 PolarHBondContact N-O 2.98Å
918	R	89	Confident	92.3	Very high	70 Å²	70	34.4 Å²	34.4	26%	0.264	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-92.5	160.4	171.4	-79.3	-178.7	158.8	-134.6	1.2	110.6	E796 L857 V858 H921	E796-R918 IonicContact OE2-NH2 3.31Å; L857-R918 VanDerWaalsContact CD2-CZ 3.45Å; V858-R918 PolarHBondContact O-NE 3.26Å; R918-H921 CarbonylContact O-C 3.41Å; R918-H921 WeakPolarHBondContact O-CA 2.99Å; R918-H921 PolarHBondContact O-N 3.19Å
919	P	81.5	Confident	92.1	Very high	83 Å²	83	34.3 Å²	34.3	54%	0.539	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	136.7	172.5	18.1	-28.1	0	0	0	111	Y922	P919-Y922 HydrophobicContact CB-CE1 4.24Å; P919-Y922 HydrophobicContact CB-CE2 3.68Å; P919-Y922 WeakPolarHBondContact CB-OH 3.48Å; P919-Y922 VanDerWaalsContact CD-CE1 3.46Å; P919-Y922 HydrophobicContact CG-CE1 4.22Å; P919-Y922 HydrophobicContact CG-CE2 4.46Å; P919-Y922 WeakPolarHBondContact CG-OH 3.3Å
920	P	84.2	Confident	91.9	Very high	110 Å²	110	34.3 Å²	34.3	71%	0.714	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.2	1.7	1.3	35.7	-36.2	0	0	0	114.8	Y922	P920-Y922 PolarHBondContact O-N 2.91Å
921	H	87.8	Confident	91.5	Very high	120 Å²	120	34.3 Å²	34.3	56%	0.556	17%	0.17	S	C	*	.			trans	-94.3	37.2	-170.3	-54.3	-62.2	0	0	0	114.7	G917 R918 R923 K924	G917-H921 WeakPolarHBondContact CA-O 3.38Å; R918-H921 CarbonylContact O-C 3.41Å; R918-H921 WeakPolarHBondContact O-CA 2.99Å; R918-H921 PolarHBondContact O-N 3.19Å; H921-R923 PolarHBondContact O-N 3.1Å; H921-K924 HydrophobicContact CB-CB 4.45Å; H921-K924 PolarHBondContact O-N 2.89Å
922	Y	87.5	Confident	91.2	Very high	65 Å²	65	36.3 Å²	36.3	26%	0.255	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-26.9	-179.2	-65.7	-68.5	0	0	0	114.9	P919 P920 W1074	P919-Y922 HydrophobicContact CB-CE1 4.24Å; P919-Y922 HydrophobicContact CB-CE2 3.68Å; P919-Y922 WeakPolarHBondContact CB-OH 3.48Å; P919-Y922 VanDerWaalsContact CD-CE1 3.46Å; P919-Y922 HydrophobicContact CG-CE1 4.22Å; P919-Y922 HydrophobicContact CG-CE2 4.46Å; P919-Y922 WeakPolarHBondContact CG-OH 3.3Å; P920-Y922 PolarHBondContact O-N 2.91Å; Y922-W1074 PolarHBondContact O-NE1 2.81Å; Y922-W1074 VanDerWaalsContact O-NE1 3.07Å
923	R	92.4	Very high	91.3	Very high	84 Å²	84	33.6 Å²	33.6	32%	0.317	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.8	177.2	-68	-165.5	172.7	-163.7	-10.7	114.5	Y887 H921 I925 E1068 A1069 L1072 E1075	Y887-R923 WeakPolarHBondContact CE1-O 3.24Å; Y887-R923 WeakPolarHBondContact OH-CB 3.45Å; Y887-R923 PolarHBondContact OH-O 3.17Å; Y887-R923 VanDerWaalsContact OH-O 3.05Å; H921-R923 PolarHBondContact O-N 3.1Å; R923-I925 PolarHBondContact O-N 3.42Å; R923-E1068 PolarHBondContact NH1-O 3.08Å; R923-A1069 PolarHBondContact NH2-O 3.08Å; R923-L1072 HydrophobicContact CG-CD1 4.17Å; R923-E1075 WeakPolarHBondContact CD-OE1 3.13Å; R923-E1075 WeakPolarHBondContact CG-OE1 3.48Å; R923-E1075 IonicContact CZ-OE1 2.65Å; R923-E1075 IonicContact CZ-OE2 3.23Å; R923-E1075 IonicContact NE-OE1 3.9Å; R923-E1075 PolarHBondContact NE-OE1 3.47Å; R923-E1075 IonicContact NE-OE2 3.79Å; R923-E1075 PolarHBondContact NE-OE2 2.86Å; R923-E1075 IonicContact NH2-OE1 3.77Å; R923-E1075 IonicContact NH2-OE2 2.93Å; R923-E1075 PolarHBondContact NH2-OE2 3.45Å
924	K	94.4	Very high	91.2	Very high	68 Å²	68	37.4 Å²	37.4	30%	0.296	18%	0.183	S	C	.	.			trans	-77.6	125.9	177.6	-174.2	163.3	173.6	169.8	0	109.8	R836 A916 G917 H921 Y926	R836-K924 WeakPolarHBondContact O-CE 3.45Å; R836-K924 PolarHBondContact O-NZ 3.2Å; A916-K924 CarbonylContact C-O 3.54Å; G917-K924 PolarHBondContact N-O 2.98Å; H921-K924 HydrophobicContact CB-CB 4.45Å; H921-K924 PolarHBondContact O-N 2.89Å; K924-Y926 HydrophobicContact CB-CE2 3.96Å; K924-Y926 HydrophobicContact CD-CE1 4.21Å; K924-Y926 HydrophobicContact CD-CE2 3.96Å; K924-Y926 HydrophobicContact CG-CD2 4.16Å; K924-Y926 HydrophobicContact CG-CE2 3.64Å
925	I	95.9	Very high	91.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.9	172.5	-55.9	-53.1	0	0	0	108.5	H837 I862 R891 Y914 A915 R923 W1074	H837-I925 WeakPolarHBondContact CA-O 3.43Å; H837-I925 VanDerWaalsContact CB-O 3.32Å; H837-I925 WeakPolarHBondContact CB-O 3.21Å; H837-I925 PolarHBondContact ND1-O 3.37Å; I862-I925 HydrophobicContact CD1-CD1 4.27Å; R891-I925 HydrophobicContact CB-CB 4Å; R891-I925 HydrophobicContact CB-CG1 3.76Å; R891-I925 HydrophobicContact CG-CG1 4.39Å; Y914-I925 HydrophobicContact CD1-CG2 3.96Å; A915-I925 CarbonylContact O-C 3.56Å; A915-I925 WeakPolarHBondContact O-CA 3.48Å; R923-I925 PolarHBondContact O-N 3.42Å; I925-W1074 HydrophobicContact CD1-CZ2 4.23Å
926	Y	96.7	Very high	91	Very high	21 Å²	21	43.3 Å²	43.3	8%	0.082	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.9	-179.6	-68.8	-98.2	0	0	0	110.1	H837 T856 V858 Y914 A915 K924	H837-Y926 WeakPolarHBondContact O-CA 3.25Å; T856-Y926 HydrophobicContact CG2-CE1 4.2Å; V858-Y926 HydrophobicContact CG1-CD1 3.97Å; V858-Y926 HydrophobicContact CG1-CD2 3.91Å; V858-Y926 HydrophobicContact CG1-CE1 4.37Å; V858-Y926 HydrophobicContact CG1-CE2 4.33Å; V858-Y926 HydrophobicContact CG1-CG 3.7Å; Y914-Y926 CarbonylContact C-O 3.59Å; Y914-Y926 VanDerWaalsContact CA-O 3.23Å; Y914-Y926 WeakPolarHBondContact CA-O 3.42Å; A915-Y926 PolarHBondContact N-O 2.89Å; A915-Y926 PolarHBondContact O-N 3.23Å; K924-Y926 HydrophobicContact CB-CE2 3.96Å; K924-Y926 HydrophobicContact CD-CE1 4.21Å; K924-Y926 HydrophobicContact CD-CE2 3.96Å; K924-Y926 HydrophobicContact CG-CD2 4.16Å; K924-Y926 HydrophobicContact CG-CE2 3.64Å
927	L	97	Very high	91	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.9	168.4	179.3	62.7	0	0	0	110	H837 A895 L896 L899 Y914 F930	H837-L927 PolarHBondContact O-N 3.42Å; A895-L927 HydrophobicContact CB-CB 3.93Å; A895-L927 HydrophobicContact CB-CD2 3.98Å; L896-L927 HydrophobicContact CD2-CD2 4.43Å; L899-L927 HydrophobicContact CD2-CD2 4.36Å; Y914-L927 HydrophobicContact CD1-CB 4.42Å; Y914-L927 HydrophobicContact CD1-CD1 4.13Å; Y914-L927 HydrophobicContact CE1-CB 4.15Å; Y914-L927 HydrophobicContact CE1-CD1 3.51Å; Y914-L927 HydrophobicContact CE1-CG 4.39Å; Y914-L927 HydrophobicContact CE2-CD1 4.28Å; L927-F930 HydrophobicContact CB-CZ 4.4Å; L927-F930 HydrophobicContact CD2-CE1 3.98Å; L927-F930 HydrophobicContact CD2-CZ 4.46Å; L927-F930 HydrophobicContact CG-CE1 3.97Å; L927-F930 HydrophobicContact CG-CZ 4.1Å; L927-F930 WeakPolarHBondContact O-CZ 3.43Å
928	L	92.8	Very high	90.9	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.026	23%	0.23	C	C	.	.			trans	-135.4	159.9	-167.1	-56.8	174.9	0	0	0	112.9	C839 V858 H906 N913 A915 M1092	C839-L928 VanDerWaalsContact SG-CD2 3.56Å; V858-L928 HydrophobicContact CG2-CD1 4.22Å; H906-L928 PolarHBondContact NE2-O 3.07Å; H906-L928 VanDerWaalsContact NE2-O 3.16Å; N913-L928 PolarHBondContact O-N 3.21Å; A915-L928 HydrophobicContact CB-CD1 3.7Å; L928-M1092 HydrophobicContact CD1-SD 3.93Å; L928-M1092 HydrophobicContact CD2-SD 3.91Å
929	D	88.5	Confident	90.7	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.053	26%	0.26	C	S	.	.			trans	63	68	175.9	-163.2	30.5	0	0	0	115.4	K809 H906 G931 P1094	K809-D929 IonicContact NZ-OD1 2.78Å; K809-D929 PolarHBondContact NZ-OD1 2.73Å; H906-D929 PolarHBondContact CE1-O 3.25Å; H906-D929 VanDerWaalsContact CE1-O 3.31Å; D929-G931 PolarHBondContact O-N 3.15Å; D929-P1094 VanDerWaalsContact OD2-CB 3.31Å; D929-P1094 WeakPolarHBondContact OD2-CB 3.28Å; D929-P1094 WeakPolarHBondContact OD2-CD 3.48Å
930	F	92.4	Very high	91	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.013	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-77.2	6.1	177.6	-51.7	-85.4	0	0	0	113.6	E823 V826 L827 L830 V838 L899 L927 M932 C933	E823-F930 HydrophobicContact CB-CB 4.32Å; E823-F930 HydrophobicContact CG-CB 4.13Å; E823-F930 HydrophobicContact CG-CD2 4.33Å; V826-F930 HydrophobicContact CB-CB 4.07Å; V826-F930 HydrophobicContact CB-CG 4.42Å; V826-F930 HydrophobicContact CG1-CB 3.98Å; V826-F930 HydrophobicContact CG1-CD1 3.6Å; V826-F930 HydrophobicContact CG1-CE1 4.35Å; V826-F930 HydrophobicContact CG1-CG 3.91Å; L827-F930 HydrophobicContact CB-CD2 4.33Å; L827-F930 HydrophobicContact CB-CE2 4.49Å; L827-F930 HydrophobicContact CD1-CD2 4.38Å; L827-F930 HydrophobicContact CD1-CE2 3.73Å; L827-F930 HydrophobicContact CD1-CZ 4.21Å; L827-F930 HydrophobicContact CG-CE2 4.5Å; L830-F930 HydrophobicContact CD1-CD1 4.31Å; L830-F930 HydrophobicContact CD1-CE1 3.76Å; L830-F930 HydrophobicContact CD1-CZ 4.15Å; V838-F930 HydrophobicContact CG1-CZ 4.26Å; L899-F930 HydrophobicContact CD1-CD1 4.26Å; L899-F930 HydrophobicContact CD1-CE1 4.24Å; L927-F930 HydrophobicContact CB-CZ 4.4Å; L927-F930 HydrophobicContact CD2-CE1 3.98Å; L927-F930 HydrophobicContact CD2-CZ 4.46Å; L927-F930 HydrophobicContact CG-CE1 3.97Å; L927-F930 HydrophobicContact CG-CZ 4.1Å; L927-F930 WeakPolarHBondContact O-CZ 3.43Å; F930-M932 PolarHBondContact O-N 2.74Å; F930-M932 VanDerWaalsContact O-N 3.1Å; F930-C933 VanDerWaalsContact O-CB 3.26Å; F930-C933 WeakPolarHBondContact O-CB 3.24Å; F930-C933 PolarHBondContact O-N 2.86Å
931	G	85.6	Confident	91	Very high	11 Å²	11	52.5 Å²	52.5	11%	0.113	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.7	-21.2	-179.7	0	0	0	0	0	114	D929	D929-G931 PolarHBondContact O-N 3.15Å
932	M	87.1	Confident	91	Very high	41 Å²	41	48.8 Å²	48.8	20%	0.202	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-95	-2	176.4	-64.3	-55.2	-66.9	0	0	114.2	H906 R907 D908 F930 R953	H906-M932 CarbonylContact O-C 3.57Å; R907-M932 PolarHBondContact NE-O 3.26Å; R907-M932 PolarHBondContact NH2-O 2.72Å; D908-M932 HydrophobicContact CB-CB 4.37Å; D908-M932 HydrophobicContact CB-CG 4.43Å; F930-M932 PolarHBondContact O-N 2.74Å; F930-M932 VanDerWaalsContact O-N 3.1Å; M932-R953 HydrophobicContact CE-CB 3.42Å; M932-R953 VanDerWaalsContact CE-CB 3.42Å; M932-R953 HydrophobicContact CE-CG 4.31Å
933	C	93.3	Very high	91.1	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.061	24%	0.244	C	C	.	.			trans	-62.7	158.5	-174.9	-78.1	0	0	0	0	114.1	V822 V826 L905 F930	V822-C933 HydrophobicContact CG1-CB 4.25Å; V826-C933 HydrophobicContact CG2-CB 3.82Å; L905-C933 CarbonylContact O-C 3.59Å; L905-C933 WeakPolarHBondContact O-CA 3.24Å; L905-C933 WeakPolarHBondContact O-CB 3.25Å; L905-C933 PolarHBondContact O-SG 3.06Å; L905-C933 VanDerWaalsContact O-SG 3.4Å; F930-C933 VanDerWaalsContact O-CB 3.26Å; F930-C933 WeakPolarHBondContact O-CB 3.24Å; F930-C933 PolarHBondContact O-N 2.86Å
934	R	91.7	Very high	91	Very high	80 Å²	80	49.8 Å²	49.8	30%	0.302	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	127	175.3	179.5	174	174.5	83	-3.1	110.8	F904 L905 Y936 E968	F904-R934 WeakPolarHBondContact CA-O 3.45Å; L905-R934 PolarHBondContact N-O 2.93Å; L905-R934 PolarHBondContact O-N 3.08Å; R934-Y936 PolarHBondContact O-N 2.87Å; R934-E968 IonicContact CZ-OE2 3.42Å; R934-E968 IonicContact NE-OE1 2.92Å; R934-E968 IonicContact NE-OE2 3.17Å; R934-E968 PolarHBondContact NE-OE2 2.93Å; R934-E968 IonicContact NH2-OE2 2.73Å; R934-E968 PolarHBondContact NH2-OE2 2.85Å
935	K	93.9	Very high	90.8	Very high	90 Å²	90	57 Å²	57	39%	0.391	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	116.3	172.1	-159.5	172.5	-178.6	171.5	0	109.1	G903 F904 V937 R944	G903-K935 CarbonylContact O-C 3.55Å; G903-K935 WeakPolarHBondContact O-CA 3.38Å; G903-K935 WeakPolarHBondContact O-CG 3.38Å; F904-K935 HydrophobicContact CD1-CB 3.82Å; F904-K935 HydrophobicContact CD1-CG 4.15Å; F904-K935 HydrophobicContact CE1-CB 3.72Å; F904-K935 HydrophobicContact CE1-CD 4.14Å; F904-K935 HydrophobicContact CE1-CG 3.92Å; F904-K935 HydrophobicContact CZ-CD 4.29Å; F904-K935 HydrophobicContact CZ-CG 4.4Å; K935-V937 HydrophobicContact CD-CG2 4.43Å; K935-V937 HydrophobicContact CG-CG2 3.99Å; K935-R944 WeakPolarHBondContact O-CD 3.42Å
936	Y	93.6	Very high	90.5	Very high	34 Å²	34	59.6 Å²	59.6	13%	0.133	29%	0.291	C	S	.	.			trans	-94.6	-17.4	-178.5	74.4	-93.9	0	0	0	112.7	H900 G903 L905 R934 L943 R944 R971	H900-Y936 PolarHBondContact O-OH 2.77Å; G903-Y936 WeakPolarHBondContact O-CD1 2.99Å; G903-Y936 PolarHBondContact O-N 3.28Å; L905-Y936 HydrophobicContact CD2-CD1 3.57Å; L905-Y936 HydrophobicContact CD2-CE1 4.1Å; L905-Y936 HydrophobicContact CD2-CG 4.13Å; L905-Y936 HydrophobicContact CG-CD1 3.76Å; L905-Y936 HydrophobicContact CG-CG 4.18Å; R934-Y936 PolarHBondContact O-N 2.87Å; Y936-L943 HydrophobicContact CD2-CD2 3.7Å; Y936-L943 HydrophobicContact CE2-CD2 3.46Å; Y936-L943 VanDerWaalsContact CE2-CD2 3.46Å; Y936-R944 VanDerWaalsContact O-CB 3.29Å; Y936-R944 WeakPolarHBondContact O-CB 3.32Å; Y936-R944 VanDerWaalsContact O-CG 3.29Å; Y936-R944 WeakPolarHBondContact O-CG 3.47Å; Y936-R944 PolarHBondContact O-N 3.05Å; Y936-R971 HydrophobicContact CE1-CG 4.11Å; Y936-R971 HydrophobicContact CE2-CG 4.49Å; Y936-R971 PolarHBondContact OH-NH1 3.28Å; Y936-R971 VanDerWaalsContact OH-NH1 3.1Å
937	V	93.3	Very high	90	Very high	22 Å²	22	63.4 Å²	63.4	13%	0.133	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-88	158.6	169	-57.6	0	0	0	0	111.7	K935 S942 L943 R944	K935-V937 HydrophobicContact CD-CG2 4.43Å; K935-V937 HydrophobicContact CG-CG2 3.99Å; V937-S942 CarbonylContact C-O 3.57Å; V937-S942 WeakPolarHBondContact CA-O 3.27Å; V937-L943 HydrophobicContact CG1-CD2 4.33Å; V937-R944 PolarHBondContact O-NE 3.31Å
938	K	89.5	Confident	88.9	Confident	85 Å²	85	72.6 Å²	72.6	37%	0.37	35%	0.348	S	S	.	.			trans	-87.2	-171.6	164.8	-59.8	-172.5	-138.9	141.1	0	110.5	D940 S942 R944	K938-D940 VanDerWaalsContact CB-OD1 3.28Å; K938-D940 WeakPolarHBondContact CB-OD1 3.43Å; K938-D940 IonicContact NZ-OD2 3.76Å; K938-D940 PolarHBondContact NZ-OD2 3.49Å; K938-S942 WeakPolarHBondContact CE-OG 3.22Å; K938-S942 PolarHBondContact N-O 3.1Å; K938-S942 PolarHBondContact NZ-OG 3.24Å; K938-R944 HydrophobicContact CG-CG 3.84Å
939	E	85.1	Confident	88.2	Confident	190 Å²	190	81.9 Å²	81.9	89%	0.888	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-31	175.7	-67.9	170.3	-176.4	0	0	112.2	G941	E939-G941 PolarHBondContact O-N 3.3Å
940	D	88	Confident	87.8	Confident	112 Å²	112	82.3 Å²	82.3	60%	0.599	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	7.2	173	65	12.5	0	0	0	114	K938 S942	K938-D940 VanDerWaalsContact CB-OD1 3.28Å; K938-D940 WeakPolarHBondContact CB-OD1 3.43Å; K938-D940 IonicContact NZ-OD2 3.76Å; K938-D940 PolarHBondContact NZ-OD2 3.49Å; D940-S942 PolarHBondContact O-N 2.85Å; D940-S942 WeakPolarHBondContact OD1-CA 3.46Å; D940-S942 WeakPolarHBondContact OD1-CB 3.44Å; D940-S942 PolarHBondContact OD1-N 2.62Å; D940-S942 PolarHBondContact OD1-OG 2.9Å; D940-S942 PolarHBondContact OD2-OG 3.16Å
941	G	84.1	Confident	86.7	Confident	51 Å²	51	84.8 Å²	84.8	53%	0.526	41%	0.412	S	S	.	.	S	Bend	trans	74.8	-12	-174.6	0	0	0	0	0	115.6	E939	E939-G941 PolarHBondContact O-N 3.3Å
942	S	88.3	Confident	86	Confident	43 Å²	43	85.7 Å²	85.7	30%	0.301	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-70.8	150.8	-178.9	72.6	0	0	0	0	112.7	V937 K938 D940	V937-S942 CarbonylContact C-O 3.57Å; V937-S942 WeakPolarHBondContact CA-O 3.27Å; K938-S942 WeakPolarHBondContact CE-OG 3.22Å; K938-S942 PolarHBondContact N-O 3.1Å; K938-S942 PolarHBondContact NZ-OG 3.24Å; D940-S942 PolarHBondContact O-N 2.85Å; D940-S942 WeakPolarHBondContact OD1-CA 3.46Å; D940-S942 WeakPolarHBondContact OD1-CB 3.44Å; D940-S942 PolarHBondContact OD1-N 2.62Å; D940-S942 PolarHBondContact OD1-OG 2.9Å; D940-S942 PolarHBondContact OD2-OG 3.16Å
943	L	89.1	Confident	84.9	Confident	58 Å²	58	88.4 Å²	88.4	30%	0.304	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-67.5	138.3	178.2	-57.5	179.3	0	0	0	111	Y936 V937 Y1045	Y936-L943 HydrophobicContact CD2-CD2 3.7Å; Y936-L943 HydrophobicContact CE2-CD2 3.46Å; Y936-L943 VanDerWaalsContact CE2-CD2 3.46Å; V937-L943 HydrophobicContact CG1-CD2 4.33Å; L943-Y1045 HydrophobicContact CB-CD1 4.45Å; L943-Y1045 HydrophobicContact CD1-CD1 3.83Å
944	R	91.6	Very high	83.6	Confident	112 Å²	112	89.4 Å²	89.4	42%	0.423	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-70.8	137.5	169.2	-68.2	174.5	179.4	-91.7	-1.3	109.2	K935 Y936 V937 K938 F1044	K935-R944 WeakPolarHBondContact O-CD 3.42Å; Y936-R944 VanDerWaalsContact O-CB 3.29Å; Y936-R944 WeakPolarHBondContact O-CB 3.32Å; Y936-R944 VanDerWaalsContact O-CG 3.29Å; Y936-R944 WeakPolarHBondContact O-CG 3.47Å; Y936-R944 PolarHBondContact O-N 3.05Å; V937-R944 PolarHBondContact O-NE 3.31Å; K938-R944 HydrophobicContact CG-CG 3.84Å; R944-F1044 WeakPolarHBondContact O-CE1 3.36Å
945	R	88.9	Confident	82.9	Confident	218 Å²	218	87.7 Å²	87.7	82%	0.823	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-63.3	143	173.9	-67.6	-176.8	179.5	178.6	-0.3	110.1
946	P	89.4	Confident	82.5	Confident	56 Å²	56	85.3 Å²	85.3	36%	0.364	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-64.8	141.8	176.2	27.2	-33	0	0	0	110.6	E968 F1044 Y1045	P946-E968 HydrophobicContact CB-CB 3.95Å; P946-E968 HydrophobicContact CB-CG 4.45Å; P946-F1044 HydrophobicContact CB-CD1 4.15Å; P946-F1044 HydrophobicContact CB-CD2 4.02Å; P946-F1044 HydrophobicContact CB-CE1 3.97Å; P946-F1044 HydrophobicContact CB-CE2 3.85Å; P946-F1044 HydrophobicContact CB-CG 4.19Å; P946-F1044 HydrophobicContact CB-CZ 3.82Å; P946-F1044 HydrophobicContact CG-CD1 4.06Å; P946-F1044 HydrophobicContact CG-CE1 4.11Å; P946-F1044 HydrophobicContact CG-CG 4.37Å; P946-F1044 HydrophobicContact CG-CZ 4.47Å; P946-Y1045 VanDerWaalsContact CD-OH 3.23Å; P946-Y1045 WeakPolarHBondContact CD-OH 3.35Å
947	R	86.9	Confident	82.2	Confident	101 Å²	101	86.6 Å²	86.6	38%	0.381	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-78.6	142.9	168.1	-70.1	174.5	-69.3	161.8	5.5	109.6	R949 V950 E968	R947-R949 VanDerWaalsContact C-N 3.27Å; R947-R949 PolarHBondContact O-N 2.73Å; R947-V950 HydrophobicContact CB-CG2 4Å; R947-E968 IonicContact CZ-OE1 3.46Å; R947-E968 IonicContact CZ-OE2 2.82Å; R947-E968 VanDerWaalsContact CZ-OE2 3.28Å; R947-E968 IonicContact NE-OE1 3.39Å; R947-E968 IonicContact NE-OE2 3.77Å; R947-E968 PolarHBondContact NE-OE2 2.98Å; R947-E968 VanDerWaalsContact NH2-CD 3.28Å; R947-E968 IonicContact NH2-OE1 3.03Å; R947-E968 PolarHBondContact NH2-OE1 2.66Å; R947-E968 IonicContact NH2-OE2 3.84Å; R947-E968 PolarHBondContact NH2-OE2 2.82Å
948	E	74.7	Confident	82.2	Confident	194 Å²	194	86.3 Å²	86.3	91%	0.907	43%	0.426	S	S	*	.	S	Bend	trans	-56.4	-39.8	-179.5	-65.4	-176.7	174.8	0	0	113.2
949	R	76.6	Confident	82.4	Confident	200 Å²	200	82.7 Å²	82.7	76%	0.755	41%	0.412	S	S	*	.			trans	-142.2	146.5	173.8	-67.8	-170.2	179.1	-169.4	0	111.6	R947 G966	R947-R949 VanDerWaalsContact C-N 3.27Å; R947-R949 PolarHBondContact O-N 2.73Å; R949-G966 CarbonylContact C-O 3.53Å; R949-G966 WeakPolarHBondContact CA-O 3.25Å
950	V	79.7	Confident	82.8	Confident	19 Å²	19	73.7 Å²	73.7	12%	0.115	37%	0.37	C	S	.	.			trans	-136.8	130.9	177.4	-174.3	0	0	0	0	108.5	R947 F952 G966 E968	R947-V950 HydrophobicContact CB-CG2 4Å; V950-F952 PolarHBondContact O-N 2.82Å; V950-G966 PolarHBondContact N-O 3.29Å; V950-G966 VanDerWaalsContact O-CA 3.28Å; V950-G966 WeakPolarHBondContact O-CA 3.44Å; V950-E968 HydrophobicContact CG2-CB 4.03Å
951	G	69.6	Low	83.1	Confident	55 Å²	55	69.4 Å²	69.4	57%	0.567	35%	0.347	S	S	*	.			trans	-64	131.2	173	0	0	0	0	0	110.9	R953	G951-R953 PolarHBondContact O-N 3.1Å
952	F	71.7	Confident	83.5	Confident	29 Å²	29	68 Å²	68	13%	0.127	33%	0.327	C	S	.	.			trans	-57.5	132.9	178.7	177.6	-98.2	0	0	0	111.1	V950 G954 L956 A959 C963 L964 V1003 A1007	V950-F952 PolarHBondContact O-N 2.82Å; F952-G954 WeakPolarHBondContact CE1-O 3.42Å; F952-G954 WeakPolarHBondContact CZ-O 3.42Å; F952-L956 HydrophobicContact CD1-CD2 4.02Å; F952-L956 HydrophobicContact CE1-CD2 3.53Å; F952-L956 HydrophobicContact CE1-CG 3.88Å; F952-L956 HydrophobicContact CZ-CD2 3.87Å; F952-L956 HydrophobicContact CZ-CG 4.27Å; F952-A959 HydrophobicContact CE2-CB 3.52Å; F952-A959 HydrophobicContact CZ-CB 3.87Å; F952-C963 VanDerWaalsContact CE2-SG 3.53Å; F952-L964 HydrophobicContact CD2-CD2 4.23Å; F952-L964 HydrophobicContact CE2-CD2 3.82Å; F952-L964 HydrophobicContact CE2-CG 4.49Å; F952-L964 HydrophobicContact CZ-CD2 4.23Å; F952-V1003 HydrophobicContact CD1-CG1 4.38Å; F952-A1007 HydrophobicContact CB-CB 3.94Å; F952-A1007 HydrophobicContact CD1-CB 4Å; F952-A1007 HydrophobicContact CD2-CB 4.11Å; F952-A1007 HydrophobicContact CG-CB 3.71Å
953	R	64.9	Low	83.6	Confident	99 Å²	99	66.2 Å²	66.2	37%	0.374	32%	0.315	S	S	.	.			trans	-143.8	146.5	168.4	-53.1	-172.9	-175.3	-175	-0.6	109.1	W755 M932 G951	W755-R953 VanDerWaalsContact CZ3-NH2 3.27Å; M932-R953 HydrophobicContact CE-CB 3.42Å; M932-R953 VanDerWaalsContact CE-CB 3.42Å; M932-R953 HydrophobicContact CE-CG 4.31Å; G951-R953 PolarHBondContact O-N 3.1Å
954	G	64.8	Low	83.7	Confident	30 Å²	30	63.5 Å²	63.5	31%	0.309	30%	0.301	S	S	.	.	S	Bend	trans	113	-171.2	-174.8	0	0	0	0	0	111.8	D908 F952	D908-G954 WeakPolarHBondContact OD1-CA 3.26Å; F952-G954 WeakPolarHBondContact CE1-O 3.42Å; F952-G954 WeakPolarHBondContact CZ-O 3.42Å
955	T	78.1	Confident	83.6	Confident	44 Å²	44	62.5 Å²	62.5	27%	0.27	30%	0.297	S	S	.	.			trans	-88.3	110.8	-173.5	-53.3	0	0	0	0	111	D908 K910 F957 Y958 A959	D908-T955 VanDerWaalsContact OD1-CB 3.27Å; D908-T955 WeakPolarHBondContact OD1-CB 3.48Å; D908-T955 PolarHBondContact OD1-N 2.99Å; D908-T955 PolarHBondContact OD1-OG1 2.96Å; K910-T955 HydrophobicContact CD-CG2 4.32Å; K910-T955 VanDerWaalsContact CD-OG1 3.28Å; K910-T955 WeakPolarHBondContact CD-OG1 3.24Å; K910-T955 PolarHBondContact NZ-OG1 2.96Å; T955-F957 VanDerWaalsContact C-N 3.28Å; T955-F957 PolarHBondContact O-N 2.86Å; T955-F957 VanDerWaalsContact O-N 3.12Å; T955-Y958 HydrophobicContact CG2-CD2 4.16Å; T955-Y958 PolarHBondContact O-N 2.91Å; T955-A959 PolarHBondContact O-N 3.35Å; T955-A959 VanDerWaalsContact O-N 3.13Å
956	L	84.1	Confident	83.5	Confident	39 Å²	39	52.9 Å²	52.9	20%	0.204	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.6	-51.8	-177.4	-76.1	171.2	0	0	0	113	F952 Y958 A959 L964 Q1006 A1007 F1010	F952-L956 HydrophobicContact CD1-CD2 4.02Å; F952-L956 HydrophobicContact CE1-CD2 3.53Å; F952-L956 HydrophobicContact CE1-CG 3.88Å; F952-L956 HydrophobicContact CZ-CD2 3.87Å; F952-L956 HydrophobicContact CZ-CG 4.27Å; L956-Y958 VanDerWaalsContact C-N 3.33Å; L956-Y958 PolarHBondContact O-N 3.07Å; L956-A959 PolarHBondContact O-N 2.97Å; L956-L964 HydrophobicContact CD2-CD2 3.77Å; L956-Q1006 HydrophobicContact CD1-CB 4.07Å; L956-A1007 HydrophobicContact CD2-CB 3.64Å; L956-F1010 WeakPolarHBondContact O-CE1 3.44Å
957	F	88.5	Confident	83.5	Confident	61 Å²	61	55.1 Å²	55.1	27%	0.268	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-41.4	-171.8	-164.6	-107.1	0	0	0	114.2	T955 L990 W992 K1014	T955-F957 VanDerWaalsContact C-N 3.28Å; T955-F957 PolarHBondContact O-N 2.86Å; T955-F957 VanDerWaalsContact O-N 3.12Å; F957-L990 HydrophobicContact CD1-CD1 4.2Å; F957-L990 HydrophobicContact CE1-CD1 3.7Å; F957-L990 HydrophobicContact CZ-CB 4.37Å; F957-L990 HydrophobicContact CZ-CD1 4.24Å; F957-W992 AromaticContact CD2-CD1 3.95Å; F957-W992 AromaticContact CE2-CD1 3.7Å; F957-W992 PolarHBondContact O-NE1 3.48Å; F957-K1014 PolarHBondContact O-NZ 2.92Å; F957-K1014 VanDerWaalsContact O-NZ 3.09Å
958	Y	93.4	Very high	83.7	Confident	17 Å²	17	51 Å²	51	7%	0.067	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-18.3	-178.4	-63	-76.4	0	0	0	113.2	V909 K910 P911 T955 L956 S977 F980 M981 L990 K1014	V909-Y958 WeakPolarHBondContact O-CB 3.37Å; K910-Y958 HydrophobicContact CB-CD2 3.52Å; K910-Y958 HydrophobicContact CB-CE2 3.9Å; K910-Y958 HydrophobicContact CB-CG 4.05Å; P911-Y958 VanDerWaalsContact CD-CZ 3.4Å; P911-Y958 HydrophobicContact CG-CE1 4.27Å; P911-Y958 WeakPolarHBondContact CG-OH 3.1Å; T955-Y958 HydrophobicContact CG2-CD2 4.16Å; T955-Y958 PolarHBondContact O-N 2.91Å; L956-Y958 VanDerWaalsContact C-N 3.33Å; L956-Y958 PolarHBondContact O-N 3.07Å; Y958-S977 WeakPolarHBondContact O-CA 3.44Å; Y958-S977 PolarHBondContact O-OG 3.21Å; Y958-F980 HydrophobicContact CD1-CB 4.31Å; Y958-F980 WeakPolarHBondContact O-CD2 3.4Å; Y958-M981 HydrophobicContact CE1-CB 4.49Å; Y958-L990 HydrophobicContact CD1-CD1 4.43Å; Y958-L990 HydrophobicContact CE1-CD1 4.21Å; Y958-K1014 PolarHBondContact O-NZ 2.93Å
959	A	92.9	Very high	84.6	Confident	9 Å²	9	42.4 Å²	42.4	7%	0.074	22%	0.215	C	C	.	.			trans	-58.2	145.6	-176.9	0	0	0	0	0	114.6	F952 T955 L956 L964 K1014	F952-A959 HydrophobicContact CE2-CB 3.52Å; F952-A959 HydrophobicContact CZ-CB 3.87Å; T955-A959 PolarHBondContact O-N 3.35Å; T955-A959 VanDerWaalsContact O-N 3.13Å; L956-A959 PolarHBondContact O-N 2.97Å; A959-L964 HydrophobicContact CB-CD1 4.46Å; A959-L964 HydrophobicContact CB-CD2 4.02Å; A959-L964 HydrophobicContact CB-CG 3.95Å; A959-L964 WeakPolarHBondContact O-CD1 3.23Å; A959-K1014 WeakPolarHBondContact O-CE 3.49Å; A959-K1014 PolarHBondContact O-NZ 3.43Å
960	S	94.5	Very high	85.4	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.007	18%	0.181	C	C	.	.			trans	-63.9	159	175.9	82.3	0	0	0	0	112.8	D962 C963 L964 D973	S960-D962 VanDerWaalsContact C-N 3.27Å; S960-D962 PolarHBondContact O-N 3.23Å; S960-C963 PolarHBondContact O-N 2.96Å; S960-C963 VanDerWaalsContact OG-CB 3.24Å; S960-C963 WeakPolarHBondContact OG-CB 3.41Å; S960-C963 PolarHBondContact OG-N 3.3Å; S960-C963 VanDerWaalsContact OG-N 3.07Å; S960-L964 WeakPolarHBondContact O-CB 3.47Å; S960-L964 WeakPolarHBondContact O-CD1 3.41Å; S960-L964 WeakPolarHBondContact O-CG 3.43Å; S960-L964 PolarHBondContact O-N 3.15Å; S960-D973 VanDerWaalsContact CB-OD1 3.25Å; S960-D973 WeakPolarHBondContact CB-OD1 3.1Å; S960-D973 PolarHBondContact OG-OD1 2.81Å
961	V	93.2	Very high	86.2	Confident	21 Å²	21	34 Å²	34	13%	0.127	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-36.5	177.8	171.3	0	0	0	0	112.3	R965 G1011 K1014 I1018	V961-R965 VanDerWaalsContact CG1-CZ 3.43Å; V961-R965 VanDerWaalsContact CG1-NH1 3.28Å; V961-R965 WeakPolarHBondContact O-CB 3.34Å; V961-R965 WeakPolarHBondContact O-CD 3.41Å; V961-R965 VanDerWaalsContact O-CG 3.26Å; V961-R965 WeakPolarHBondContact O-CG 3.44Å; V961-R965 PolarHBondContact O-N 2.72Å; V961-R965 VanDerWaalsContact O-N 3.09Å; V961-G1011 WeakPolarHBondContact CG1-O 3.19Å; V961-K1014 HydrophobicContact CG2-CB 4.26Å; V961-K1014 HydrophobicContact CG2-CG 3.94Å; V961-I1018 HydrophobicContact CG2-CD1 3.79Å
962	D	92.1	Very high	87.5	Confident	21 Å²	21	32.6 Å²	32.6	11%	0.112	16%	0.16	C	C	.	.	H	α-helix	trans	-79.3	-34.3	-178.4	-77.2	-39.7	0	0	0	112.6	S960 R965 G966 K967 R972	S960-D962 VanDerWaalsContact C-N 3.27Å; S960-D962 PolarHBondContact O-N 3.23Å; D962-R965 PolarHBondContact O-N 3.35Å; D962-G966 PolarHBondContact O-N 2.81Å; D962-K967 HydrophobicContact CB-CB 4.35Å; D962-K967 HydrophobicContact CB-CD 3.96Å; D962-K967 HydrophobicContact CB-CG 4.48Å; D962-K967 WeakPolarHBondContact O-CB 3.14Å; D962-K967 PolarHBondContact O-N 2.79Å; D962-K967 WeakPolarHBondContact OD1-CD 3.25Å; D962-K967 VanDerWaalsContact OD1-CE 3.25Å; D962-K967 WeakPolarHBondContact OD1-CE 3.45Å; D962-K967 IonicContact OD1-NZ 3.63Å; D962-K967 PolarHBondContact OD1-NZ 2.98Å; D962-K967 IonicContact OD2-NZ 2.68Å; D962-R972 IonicContact OD2-CZ 3.74Å; D962-R972 VanDerWaalsContact OD2-CZ 3.3Å; D962-R972 IonicContact OD2-NH1 2.87Å; D962-R972 PolarHBondContact OD2-NH1 2.88Å; D962-R972 IonicContact OD2-NH2 3.69Å; D962-R972 PolarHBondContact OD2-NH2 3.48Å
963	C	91.2	Very high	88.6	Confident	6 Å²	6	31.3 Å²	31.3	4%	0.041	15%	0.154	C	C	.	.	H	α-helix	trans	-59.5	-47.4	167.9	178.5	0	0	0	0	111.2	F952 S960 R965 G966 Q969	F952-C963 VanDerWaalsContact CE2-SG 3.53Å; S960-C963 PolarHBondContact O-N 2.96Å; S960-C963 VanDerWaalsContact OG-CB 3.24Å; S960-C963 WeakPolarHBondContact OG-CB 3.41Å; S960-C963 PolarHBondContact OG-N 3.3Å; S960-C963 VanDerWaalsContact OG-N 3.07Å; C963-R965 PolarHBondContact O-N 2.99Å; C963-G966 PolarHBondContact O-N 3.15Å; C963-Q969 HydrophobicContact CB-CG 3.93Å; C963-Q969 PolarHBondContact SG-NE2 3.13Å
964	L	90.8	Very high	90.2	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-62.7	-27.5	176.6	-71.5	168.8	0	0	0	112.9	F952 L956 A959 S960 G966 A1007 L1008 F1010 K1014	F952-L964 HydrophobicContact CD2-CD2 4.23Å; F952-L964 HydrophobicContact CE2-CD2 3.82Å; F952-L964 HydrophobicContact CE2-CG 4.49Å; F952-L964 HydrophobicContact CZ-CD2 4.23Å; L956-L964 HydrophobicContact CD2-CD2 3.77Å; A959-L964 HydrophobicContact CB-CD1 4.46Å; A959-L964 HydrophobicContact CB-CD2 4.02Å; A959-L964 HydrophobicContact CB-CG 3.95Å; A959-L964 WeakPolarHBondContact O-CD1 3.23Å; S960-L964 WeakPolarHBondContact O-CB 3.47Å; S960-L964 WeakPolarHBondContact O-CD1 3.41Å; S960-L964 WeakPolarHBondContact O-CG 3.43Å; S960-L964 PolarHBondContact O-N 3.15Å; L964-G966 VanDerWaalsContact C-N 3.3Å; L964-A1007 WeakPolarHBondContact CB-O 3.41Å; L964-A1007 HydrophobicContact CD2-CB 3.82Å; L964-A1007 CarbonylContact O-C 3.57Å; L964-L1008 WeakPolarHBondContact O-CA 3.38Å; L964-L1008 PolarHBondContact O-N 3.04Å; L964-F1010 HydrophobicContact CD1-CD1 3.59Å; L964-F1010 HydrophobicContact CD1-CE1 4.22Å; L964-F1010 HydrophobicContact CD1-CG 4.41Å; L964-F1010 HydrophobicContact CD2-CD1 4.02Å; L964-F1010 HydrophobicContact CG-CD1 4.5Å; L964-K1014 HydrophobicContact CD1-CD 3.99Å
965	R	89.1	Confident	91.7	Very high	91 Å²	91	25.2 Å²	25.2	34%	0.343	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	1.7	173.6	-74.2	168.7	174.2	162.7	-1.5	114.5	V961 D962 C963 L1008	V961-R965 VanDerWaalsContact CG1-CZ 3.43Å; V961-R965 VanDerWaalsContact CG1-NH1 3.28Å; V961-R965 WeakPolarHBondContact O-CB 3.34Å; V961-R965 WeakPolarHBondContact O-CD 3.41Å; V961-R965 VanDerWaalsContact O-CG 3.26Å; V961-R965 WeakPolarHBondContact O-CG 3.44Å; V961-R965 PolarHBondContact O-N 2.72Å; V961-R965 VanDerWaalsContact O-N 3.09Å; D962-R965 PolarHBondContact O-N 3.35Å; C963-R965 PolarHBondContact O-N 2.99Å; R965-L1008 HydrophobicContact CB-CD2 4.19Å; R965-L1008 HydrophobicContact CG-CD2 4.02Å
966	G	87.4	Confident	92.6	Very high	16 Å²	16	24.1 Å²	24.1	17%	0.165	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	21.8	179.4	0	0	0	0	0	114.6	R949 V950 D962 C963 L964	R949-G966 CarbonylContact C-O 3.53Å; R949-G966 WeakPolarHBondContact CA-O 3.25Å; V950-G966 PolarHBondContact N-O 3.29Å; V950-G966 VanDerWaalsContact O-CA 3.28Å; V950-G966 WeakPolarHBondContact O-CA 3.44Å; D962-G966 PolarHBondContact O-N 2.81Å; C963-G966 PolarHBondContact O-N 3.15Å; L964-G966 VanDerWaalsContact C-N 3.3Å
967	K	90.2	Very high	93.3	Very high	103 Å²	103	22.7 Å²	22.7	45%	0.448	11%	0.106	S	C	.	.	P	Polyproline II helix	trans	-75.1	159.8	167.9	-60.9	-172.3	-173.5	164.7	0	110.3	D962 Q969	D962-K967 HydrophobicContact CB-CB 4.35Å; D962-K967 HydrophobicContact CB-CD 3.96Å; D962-K967 HydrophobicContact CB-CG 4.48Å; D962-K967 WeakPolarHBondContact O-CB 3.14Å; D962-K967 PolarHBondContact O-N 2.79Å; D962-K967 WeakPolarHBondContact OD1-CD 3.25Å; D962-K967 VanDerWaalsContact OD1-CE 3.25Å; D962-K967 WeakPolarHBondContact OD1-CE 3.45Å; D962-K967 IonicContact OD1-NZ 3.63Å; D962-K967 PolarHBondContact OD1-NZ 2.98Å; D962-K967 IonicContact OD2-NZ 2.68Å; K967-Q969 PolarHBondContact O-N 2.84Å
968	E	91	Very high	93.7	Very high	13 Å²	13	19.8 Å²	19.8	6%	0.061	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-62.9	131	167.7	-175	75.3	-75.1	0	0	109.9	R934 P946 R947 V950 F1044	R934-E968 IonicContact CZ-OE2 3.42Å; R934-E968 IonicContact NE-OE1 2.92Å; R934-E968 IonicContact NE-OE2 3.17Å; R934-E968 PolarHBondContact NE-OE2 2.93Å; R934-E968 IonicContact NH2-OE2 2.73Å; R934-E968 PolarHBondContact NH2-OE2 2.85Å; P946-E968 HydrophobicContact CB-CB 3.95Å; P946-E968 HydrophobicContact CB-CG 4.45Å; R947-E968 IonicContact CZ-OE1 3.46Å; R947-E968 IonicContact CZ-OE2 2.82Å; R947-E968 VanDerWaalsContact CZ-OE2 3.28Å; R947-E968 IonicContact NE-OE1 3.39Å; R947-E968 IonicContact NE-OE2 3.77Å; R947-E968 PolarHBondContact NE-OE2 2.98Å; R947-E968 VanDerWaalsContact NH2-CD 3.28Å; R947-E968 IonicContact NH2-OE1 3.03Å; R947-E968 PolarHBondContact NH2-OE1 2.66Å; R947-E968 IonicContact NH2-OE2 3.84Å; R947-E968 PolarHBondContact NH2-OE2 2.82Å; V950-E968 HydrophobicContact CG2-CB 4.03Å; E968-F1044 HydrophobicContact CB-CE2 3.95Å; E968-F1044 HydrophobicContact CG-CE2 3.64Å; E968-F1044 HydrophobicContact CG-CZ 4.06Å
969	Q	92.6	Very high	93.9	Very high	14 Å²	14	19 Å²	19	7%	0.065	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-74.5	144.8	178.8	-61.1	-179.6	37.3	0	0	110.7	L905 C963 K967 D973	L905-Q969 HydrophobicContact CD1-CB 4.41Å; L905-Q969 WeakPolarHBondContact CD1-O 3.45Å; C963-Q969 HydrophobicContact CB-CG 3.93Å; C963-Q969 PolarHBondContact SG-NE2 3.13Å; K967-Q969 PolarHBondContact O-N 2.84Å; Q969-D973 HydrophobicContact CB-CB 4.32Å
970	A	94.1	Very high	94.1	Very high	5 Å²	5	18.5 Å²	18.5	4%	0.041	9%	0.087	C	C	.	.			trans	-125.9	178	174.3	0	0	0	0	0	111.1	R972 D973 F1044	A970-R972 HydrophobicContact CB-CG 4.33Å; A970-R972 PolarHBondContact O-N 2.91Å; A970-D973 PolarHBondContact N-OD2 3.07Å; A970-D973 WeakPolarHBondContact O-CB 3.41Å; A970-D973 PolarHBondContact O-N 2.96Å; A970-F1044 HydrophobicContact CB-CD2 3.7Å; A970-F1044 HydrophobicContact CB-CE2 4.02Å; A970-F1044 HydrophobicContact CB-CG 4.29Å; A970-F1044 VanDerWaalsContact CB-O 3.27Å; A970-F1044 WeakPolarHBondContact CB-O 3.34Å
971	R	96.8	Very high	94.2	Very high	37 Å²	37	18.5 Å²	18.5	14%	0.14	9%	0.086	C	C	.	.	H	α-helix	trans	-52.4	-40	179.7	-63.7	177.2	-78.3	-143.3	-2.4	113.4	H900 L905 Y936 D973 D974 V975 Y1045 D1046 P1048	H900-R971 HydrophobicContact CB-CG 4.23Å; H900-R971 PolarHBondContact CE1-O 3.2Å; L905-R971 HydrophobicContact CD2-CB 4.33Å; L905-R971 HydrophobicContact CD2-CG 3.76Å; Y936-R971 HydrophobicContact CE1-CG 4.11Å; Y936-R971 HydrophobicContact CE2-CG 4.49Å; Y936-R971 PolarHBondContact OH-NH1 3.28Å; Y936-R971 VanDerWaalsContact OH-NH1 3.1Å; R971-D973 PolarHBondContact O-N 3.3Å; R971-D974 PolarHBondContact O-N 2.8Å; R971-V975 PolarHBondContact O-N 2.97Å; R971-Y1045 PolarHBondContact NH2-O 3.25Å; R971-D1046 VanDerWaalsContact CZ-O 3.31Å; R971-D1046 PolarHBondContact NE-O 2.78Å; R971-D1046 VanDerWaalsContact NH2-C 3.26Å; R971-D1046 PolarHBondContact NH2-O 3.2Å; R971-P1048 HydrophobicContact CB-CG 3.85Å
972	R	95.5	Very high	94.4	Very high	27 Å²	27	17.5 Å²	17.5	10%	0.102	8%	0.08	C	C	.	.	H	α-helix	trans	-61.4	-26.8	176.5	68.5	-179.3	-178.9	109.7	36.7	113.4	D962 A970 V975 W976 Q1042 N1043	D962-R972 IonicContact OD2-CZ 3.74Å; D962-R972 VanDerWaalsContact OD2-CZ 3.3Å; D962-R972 IonicContact OD2-NH1 2.87Å; D962-R972 PolarHBondContact OD2-NH1 2.88Å; D962-R972 IonicContact OD2-NH2 3.69Å; D962-R972 PolarHBondContact OD2-NH2 3.48Å; A970-R972 HydrophobicContact CB-CG 4.33Å; A970-R972 PolarHBondContact O-N 2.91Å; R972-V975 PolarHBondContact O-N 3.4Å; R972-W976 WeakPolarHBondContact O-CB 3.42Å; R972-W976 PolarHBondContact O-N 3.5Å; R972-Q1042 HydrophobicContact CB-CB 3.96Å; R972-Q1042 WeakPolarHBondContact CD-O 3.48Å; R972-Q1042 HydrophobicContact CG-CB 4.43Å; R972-Q1042 PolarHBondContact NH1-O 2.88Å; R972-N1043 VanDerWaalsContact CD-O 3.31Å; R972-N1043 WeakPolarHBondContact CD-O 3.41Å
973	D	95.6	Very high	94.7	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.011	8%	0.076	C	C	.	.	H	α-helix	trans	-75.5	-33	-177.5	-63.7	-71.6	0	0	0	111.5	S960 Q969 A970 R971 S977	S960-D973 VanDerWaalsContact CB-OD1 3.25Å; S960-D973 WeakPolarHBondContact CB-OD1 3.1Å; S960-D973 PolarHBondContact OG-OD1 2.81Å; Q969-D973 HydrophobicContact CB-CB 4.32Å; A970-D973 PolarHBondContact N-OD2 3.07Å; A970-D973 WeakPolarHBondContact O-CB 3.41Å; A970-D973 PolarHBondContact O-N 2.96Å; R971-D973 PolarHBondContact O-N 3.3Å; D973-S977 WeakPolarHBondContact O-CB 3.41Å; D973-S977 PolarHBondContact O-N 3.42Å; D973-S977 VanDerWaalsContact O-N 3.15Å; D973-S977 PolarHBondContact O-OG 2.93Å
974	D	97.4	Very high	94.9	Very high	1 Å²	1	18 Å²	18	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-68.5	-40.4	168.4	-76.8	-35.3	0	0	0	111.2	L896 H900 L905 H906 R907 V909 R971 S977 W978	L896-D974 HydrophobicContact CD1-CB 4.44Å; L896-D974 HydrophobicContact CD2-CB 4.41Å; H900-D974 IonicContact NE2-OD2 2.77Å; H900-D974 PolarHBondContact NE2-OD2 3.06Å; L905-D974 WeakPolarHBondContact CA-OD2 3.22Å; L905-D974 WeakPolarHBondContact CB-OD2 3.26Å; H906-D974 PolarHBondContact N-OD2 2.93Å; R907-D974 WeakPolarHBondContact CA-OD1 3.46Å; R907-D974 PolarHBondContact N-OD1 3.12Å; V909-D974 HydrophobicContact CG2-CB 3.95Å; V909-D974 WeakPolarHBondContact CG2-OD1 3.36Å; R971-D974 PolarHBondContact O-N 2.8Å; D974-S977 WeakPolarHBondContact O-CB 3.08Å; D974-S977 PolarHBondContact O-N 3.06Å; D974-W978 PolarHBondContact O-N 3.46Å
975	V	98	Very high	95.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-70.1	-36	176.7	-175.8	0	0	0	0	112.5	L893 R971 R972 S977 W978 F979 L1039 P1048 Y1050 I1053	L893-V975 HydrophobicContact CD1-CG1 4.15Å; L893-V975 HydrophobicContact CD1-CG2 4.22Å; R971-V975 PolarHBondContact O-N 2.97Å; R972-V975 PolarHBondContact O-N 3.4Å; V975-S977 VanDerWaalsContact C-N 3.29Å; V975-S977 PolarHBondContact O-N 3.24Å; V975-W978 HydrophobicContact CG1-CE3 3.92Å; V975-W978 HydrophobicContact CG1-CZ3 4.43Å; V975-W978 WeakPolarHBondContact O-CB 3.27Å; V975-W978 PolarHBondContact O-N 3.27Å; V975-F979 WeakPolarHBondContact O-CB 3.32Å; V975-F979 PolarHBondContact O-N 2.76Å; V975-L1039 HydrophobicContact CB-CD2 4.23Å; V975-L1039 HydrophobicContact CG1-CD1 4.24Å; V975-L1039 HydrophobicContact CG1-CD2 3.62Å; V975-P1048 HydrophobicContact CB-CB 4.44Å; V975-P1048 HydrophobicContact CB-CG 4.47Å; V975-P1048 HydrophobicContact CG2-CB 3.85Å; V975-P1048 HydrophobicContact CG2-CG 3.76Å; V975-Y1050 HydrophobicContact CG2-CE1 4.01Å; V975-I1053 HydrophobicContact CG1-CD1 4.19Å
976	W	96.9	Very high	95.5	Very high	20 Å²	20	14.7 Å²	14.7	8%	0.076	7%	0.07	C	C	.	.	H	α-helix	trans	-57.5	-44.4	168.3	-91	113.9	0	0	0	111.4	R972 F979 F980 I1018 F1024 L1039 Q1040	R972-W976 WeakPolarHBondContact O-CB 3.42Å; R972-W976 PolarHBondContact O-N 3.5Å; W976-F979 HydrophobicContact CE3-CD1 4.41Å; W976-F979 HydrophobicContact CZ3-CD1 4.18Å; W976-F979 PolarHBondContact O-N 2.78Å; W976-F980 HydrophobicContact CB-CE2 4.07Å; W976-F980 HydrophobicContact CB-CZ 4.21Å; W976-F980 HydrophobicContact CD2-CZ 4.21Å; W976-F980 AromaticContact CE3-CE1 3.64Å; W976-F980 HydrophobicContact CE3-CE1 3.64Å; W976-F980 HydrophobicContact CE3-CE2 4.42Å; W976-F980 AromaticContact CE3-CZ 3.5Å; W976-F980 HydrophobicContact CE3-CZ 3.5Å; W976-F980 VanDerWaalsContact CE3-CZ 3.5Å; W976-F980 HydrophobicContact CZ3-CE1 4.03Å; W976-F980 HydrophobicContact CZ3-CZ 4.24Å; W976-F980 WeakPolarHBondContact O-CD2 3.39Å; W976-F980 VanDerWaalsContact O-CE2 3.24Å; W976-F980 WeakPolarHBondContact O-CE2 3.44Å; W976-F980 VanDerWaalsContact O-CG 3.27Å; W976-F980 WeakPolarHBondContact O-CG 3.33Å; W976-F980 PolarHBondContact O-N 3.2Å; W976-F980 VanDerWaalsContact O-N 3.08Å; W976-I1018 HydrophobicContact CH2-CG2 3.69Å; W976-I1018 HydrophobicContact CZ2-CG2 4.45Å; W976-I1018 HydrophobicContact CZ3-CG2 4.04Å; W976-F1024 AromaticContact CZ3-CE1 3.97Å; W976-F1024 HydrophobicContact CZ3-CE1 3.97Å; W976-F1024 HydrophobicContact CZ3-CZ 4.33Å; W976-L1039 HydrophobicContact CD2-CB 4.14Å; W976-L1039 HydrophobicContact CD2-CD1 4.28Å; W976-L1039 HydrophobicContact CE3-CD1 4.24Å; W976-L1039 HydrophobicContact CH2-CB 3.93Å; W976-L1039 VanDerWaalsContact CZ2-C 3.49Å; W976-L1039 HydrophobicContact CZ2-CB 3.47Å; W976-L1039 VanDerWaalsContact CZ2-CB 3.47Å; W976-L1039 WeakPolarHBondContact CZ2-O 3.43Å; W976-L1039 HydrophobicContact CZ3-CB 4.44Å; W976-L1039 HydrophobicContact CZ3-CD1 4.48Å; W976-L1039 PolarHBondContact NE1-O 3.46Å; W976-L1039 VanDerWaalsContact NE1-O 3.11Å; W976-Q1040 HydrophobicContact CH2-CG 3.99Å; W976-Q1040 HydrophobicContact CZ2-CG 3.82Å
977	S	97.1	Very high	95.8	Very high	9 Å²	9	15.2 Å²	15.2	6%	0.063	7%	0.07	C	C	.	.	H	α-helix	trans	-65.9	-40.9	179.9	-55.9	0	0	0	0	112	Y958 D973 D974 V975 F980 M981	Y958-S977 WeakPolarHBondContact O-CA 3.44Å; Y958-S977 PolarHBondContact O-OG 3.21Å; D973-S977 WeakPolarHBondContact O-CB 3.41Å; D973-S977 PolarHBondContact O-N 3.42Å; D973-S977 VanDerWaalsContact O-N 3.15Å; D973-S977 PolarHBondContact O-OG 2.93Å; D974-S977 WeakPolarHBondContact O-CB 3.08Å; D974-S977 PolarHBondContact O-N 3.06Å; V975-S977 VanDerWaalsContact C-N 3.29Å; V975-S977 PolarHBondContact O-N 3.24Å; S977-F980 PolarHBondContact O-N 3.03Å; S977-M981 PolarHBondContact O-N 3.18Å; S977-M981 VanDerWaalsContact O-N 3.17Å
978	W	98.1	Very high	95.9	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.8	-44.2	168.3	164.4	90.9	0	0	0	112.5	G889 S892 L893 L896 V909 D974 V975 F980 M981 L982 I1035 I1053 L1057	G889-W978 WeakPolarHBondContact O-CZ2 3.32Å; G889-W978 PolarHBondContact O-NE1 2.73Å; S892-W978 PolarHBondContact OG-NE1 2.98Å; L893-W978 HydrophobicContact CB-CZ2 4.01Å; L893-W978 HydrophobicContact CD1-CD2 4.1Å; L893-W978 HydrophobicContact CD1-CE3 4.32Å; L893-W978 HydrophobicContact CD1-CG 4.47Å; L893-W978 HydrophobicContact CD2-CH2 4.11Å; L893-W978 HydrophobicContact CD2-CZ2 4.02Å; L893-W978 HydrophobicContact CG-CZ2 4.44Å; L896-W978 HydrophobicContact CD1-CB 3.77Å; L896-W978 HydrophobicContact CD1-CG 4.33Å; V909-W978 HydrophobicContact CG1-CB 4.12Å; D974-W978 PolarHBondContact O-N 3.46Å; V975-W978 HydrophobicContact CG1-CE3 3.92Å; V975-W978 HydrophobicContact CG1-CZ3 4.43Å; V975-W978 WeakPolarHBondContact O-CB 3.27Å; V975-W978 PolarHBondContact O-N 3.27Å; W978-F980 VanDerWaalsContact C-N 3.35Å; W978-F980 PolarHBondContact O-N 3.01Å; W978-M981 WeakPolarHBondContact O-CA 3.44Å; W978-M981 VanDerWaalsContact O-CB 3.32Å; W978-M981 WeakPolarHBondContact O-CB 3.45Å; W978-M981 PolarHBondContact O-N 3.11Å; W978-M981 VanDerWaalsContact O-N 3.1Å; W978-L982 HydrophobicContact CH2-CD2 3.77Å; W978-L982 HydrophobicContact CZ2-CD2 3.86Å; W978-L982 HydrophobicContact CZ3-CD2 4.49Å; W978-L982 PolarHBondContact O-N 3.07Å; W978-I1035 HydrophobicContact CZ3-CG2 4.28Å; W978-I1053 HydrophobicContact CH2-CG2 3.5Å; W978-I1053 VanDerWaalsContact CH2-CG2 3.5Å; W978-I1053 HydrophobicContact CZ2-CG2 4.42Å; W978-I1053 HydrophobicContact CZ3-CG2 3.95Å; W978-L1057 HydrophobicContact CH2-CD1 4.26Å; W978-L1057 HydrophobicContact CZ2-CD1 4.16Å
979	F	97.9	Very high	95.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.1	-36.5	-177.4	-172.8	-126.3	0	0	0	112.2	V975 W976 M981 L982 I983 F1024 V1025 Y1032 I1035 A1036 L1039	V975-F979 WeakPolarHBondContact O-CB 3.32Å; V975-F979 PolarHBondContact O-N 2.76Å; W976-F979 HydrophobicContact CE3-CD1 4.41Å; W976-F979 HydrophobicContact CZ3-CD1 4.18Å; W976-F979 PolarHBondContact O-N 2.78Å; F979-M981 VanDerWaalsContact C-N 3.34Å; F979-L982 HydrophobicContact CD2-CD2 4.38Å; F979-L982 PolarHBondContact O-N 2.81Å; F979-I983 HydrophobicContact CD1-CD1 3.99Å; F979-I983 HydrophobicContact CE1-CD1 3.65Å; F979-I983 HydrophobicContact CE1-CG1 4.48Å; F979-I983 HydrophobicContact CE2-CD1 4.38Å; F979-I983 HydrophobicContact CE2-CG1 4.36Å; F979-I983 HydrophobicContact CG-CD1 4.49Å; F979-I983 HydrophobicContact CZ-CD1 3.85Å; F979-I983 HydrophobicContact CZ-CG1 4.23Å; F979-I983 WeakPolarHBondContact O-CG1 3.31Å; F979-I983 PolarHBondContact O-N 3.26Å; F979-F1024 HydrophobicContact CD1-CE1 4.17Å; F979-F1024 HydrophobicContact CD1-CZ 4.1Å; F979-F1024 AromaticContact CE1-CE1 3.72Å; F979-F1024 HydrophobicContact CE1-CE1 3.72Å; F979-F1024 AromaticContact CE1-CZ 3.96Å; F979-F1024 HydrophobicContact CE1-CZ 3.96Å; F979-V1025 HydrophobicContact CE1-CG1 4.28Å; F979-V1025 HydrophobicContact CZ-CG1 4.13Å; F979-Y1032 AromaticContact CE2-CD2 3.99Å; F979-Y1032 HydrophobicContact CE2-CD2 3.99Å; F979-Y1032 HydrophobicContact CE2-CG 4.05Å; F979-Y1032 HydrophobicContact CZ-CD2 4.33Å; F979-Y1032 HydrophobicContact CZ-CG 4.33Å; F979-Y1032 VanDerWaalsContact CZ-O 3.26Å; F979-Y1032 WeakPolarHBondContact CZ-O 2.91Å; F979-I1035 HydrophobicContact CD2-CB 4.48Å; F979-I1035 HydrophobicContact CD2-CG2 3.61Å; F979-I1035 HydrophobicContact CE1-CG2 4.46Å; F979-I1035 HydrophobicContact CE2-CB 3.92Å; F979-I1035 HydrophobicContact CE2-CD1 4.41Å; F979-I1035 HydrophobicContact CE2-CG2 3.54Å; F979-I1035 HydrophobicContact CG-CG2 4.14Å; F979-I1035 HydrophobicContact CZ-CB 4.16Å; F979-I1035 HydrophobicContact CZ-CG2 4Å; F979-A1036 HydrophobicContact CE1-CB 3.83Å; F979-A1036 HydrophobicContact CZ-CB 4.3Å; F979-L1039 HydrophobicContact CB-CD1 3.99Å; F979-L1039 HydrophobicContact CD1-CD1 4.18Å; F979-L1039 HydrophobicContact CG-CD1 4.15Å
980	F	97.1	Very high	95.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.2	-34.3	171.7	-50.4	-46.1	0	0	0	112.6	Y958 W976 S977 W978 R984 L990 W992 K1014 I1018 F1024	Y958-F980 HydrophobicContact CD1-CB 4.31Å; Y958-F980 WeakPolarHBondContact O-CD2 3.4Å; W976-F980 HydrophobicContact CB-CE2 4.07Å; W976-F980 HydrophobicContact CB-CZ 4.21Å; W976-F980 HydrophobicContact CD2-CZ 4.21Å; W976-F980 AromaticContact CE3-CE1 3.64Å; W976-F980 HydrophobicContact CE3-CE1 3.64Å; W976-F980 HydrophobicContact CE3-CE2 4.42Å; W976-F980 AromaticContact CE3-CZ 3.5Å; W976-F980 HydrophobicContact CE3-CZ 3.5Å; W976-F980 VanDerWaalsContact CE3-CZ 3.5Å; W976-F980 HydrophobicContact CZ3-CE1 4.03Å; W976-F980 HydrophobicContact CZ3-CZ 4.24Å; W976-F980 WeakPolarHBondContact O-CD2 3.39Å; W976-F980 VanDerWaalsContact O-CE2 3.24Å; W976-F980 WeakPolarHBondContact O-CE2 3.44Å; W976-F980 VanDerWaalsContact O-CG 3.27Å; W976-F980 WeakPolarHBondContact O-CG 3.33Å; W976-F980 PolarHBondContact O-N 3.2Å; W976-F980 VanDerWaalsContact O-N 3.08Å; S977-F980 PolarHBondContact O-N 3.03Å; W978-F980 VanDerWaalsContact C-N 3.35Å; W978-F980 PolarHBondContact O-N 3.01Å; F980-R984 WeakPolarHBondContact O-CB 3.26Å; F980-R984 PolarHBondContact O-N 3.27Å; F980-L990 HydrophobicContact CB-CD1 3.9Å; F980-L990 HydrophobicContact CB-CD2 3.98Å; F980-L990 HydrophobicContact CD1-CD2 4.49Å; F980-W992 HydrophobicContact CB-CZ2 4.28Å; F980-W992 AromaticContact CD1-CH2 3.48Å; F980-W992 HydrophobicContact CD1-CH2 3.48Å; F980-W992 VanDerWaalsContact CD1-CH2 3.48Å; F980-W992 AromaticContact CD1-CZ2 3.74Å; F980-W992 HydrophobicContact CD1-CZ2 3.74Å; F980-W992 HydrophobicContact CD2-CZ2 4.38Å; F980-W992 AromaticContact CE1-CH2 3.59Å; F980-W992 HydrophobicContact CE1-CH2 3.59Å; F980-W992 HydrophobicContact CE1-CZ2 4.17Å; F980-W992 HydrophobicContact CG-CH2 4.1Å; F980-W992 AromaticContact CG-CZ2 3.87Å; F980-W992 HydrophobicContact CG-CZ2 3.87Å; F980-W992 HydrophobicContact CZ-CH2 4.3Å; F980-K1014 VanDerWaalsContact CD2-NZ 3.27Å; F980-I1018 HydrophobicContact CE1-CD1 3.69Å; F980-I1018 HydrophobicContact CE1-CG1 4.41Å; F980-I1018 HydrophobicContact CZ-CD1 3.67Å; F980-F1024 AromaticContact CD1-CE2 3.93Å; F980-F1024 HydrophobicContact CD1-CE2 3.93Å; F980-F1024 AromaticContact CD1-CZ 3.69Å; F980-F1024 HydrophobicContact CD1-CZ 3.69Å; F980-F1024 HydrophobicContact CE1-CE1 4.47Å; F980-F1024 AromaticContact CE1-CE2 3.95Å; F980-F1024 HydrophobicContact CE1-CE2 3.95Å; F980-F1024 AromaticContact CE1-CZ 3.53Å; F980-F1024 HydrophobicContact CE1-CZ 3.53Å
981	M	96.3	Very high	95.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.1	-44.4	170.7	165.9	176.6	85.3	0	0	111	S892 P911 Y914 Y958 S977 W978 F979 R984 M985	S892-M981 WeakPolarHBondContact OG-CE 3.45Å; P911-M981 HydrophobicContact CB-CG 4.41Å; P911-M981 HydrophobicContact CB-SD 4.27Å; P911-M981 HydrophobicContact CG-CB 4.48Å; P911-M981 HydrophobicContact CG-CG 3.91Å; P911-M981 HydrophobicContact CG-SD 4.25Å; Y914-M981 HydrophobicContact CD2-CE 3.83Å; Y914-M981 HydrophobicContact CD2-SD 3.65Å; Y914-M981 HydrophobicContact CE2-CE 3.58Å; Y914-M981 HydrophobicContact CE2-SD 3.81Å; Y958-M981 HydrophobicContact CE1-CB 4.49Å; S977-M981 PolarHBondContact O-N 3.18Å; S977-M981 VanDerWaalsContact O-N 3.17Å; W978-M981 WeakPolarHBondContact O-CA 3.44Å; W978-M981 VanDerWaalsContact O-CB 3.32Å; W978-M981 WeakPolarHBondContact O-CB 3.45Å; W978-M981 PolarHBondContact O-N 3.11Å; W978-M981 VanDerWaalsContact O-N 3.1Å; F979-M981 VanDerWaalsContact C-N 3.34Å; M981-R984 PolarHBondContact O-N 2.9Å; M981-M985 HydrophobicContact CG-CE 4.06Å; M981-M985 WeakPolarHBondContact O-CG 3.11Å; M981-M985 PolarHBondContact O-N 2.81Å
982	L	97.7	Very high	95.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.9	-48.9	177.4	-175.7	59.6	0	0	0	112.2	C885 W978 F979 R984 M985 T986 Y1032 L1057	C885-L982 HydrophobicContact CB-CD1 4.42Å; C885-L982 VanDerWaalsContact O-CD1 3.24Å; C885-L982 WeakPolarHBondContact O-CD1 3.38Å; W978-L982 HydrophobicContact CH2-CD2 3.77Å; W978-L982 HydrophobicContact CZ2-CD2 3.86Å; W978-L982 HydrophobicContact CZ3-CD2 4.49Å; W978-L982 PolarHBondContact O-N 3.07Å; F979-L982 HydrophobicContact CD2-CD2 4.38Å; F979-L982 PolarHBondContact O-N 2.81Å; L982-R984 VanDerWaalsContact C-N 3.33Å; L982-R984 PolarHBondContact O-N 3.19Å; L982-M985 HydrophobicContact CD1-CE 4.01Å; L982-M985 PolarHBondContact O-N 3.38Å; L982-T986 PolarHBondContact O-N 3.03Å; L982-T986 VanDerWaalsContact O-N 3.09Å; L982-T986 PolarHBondContact O-OG1 2.95Å; L982-Y1032 WeakPolarHBondContact CD1-OH 3.14Å; L982-Y1032 HydrophobicContact CD2-CE1 4.16Å; L982-Y1032 HydrophobicContact CD2-CE2 4.1Å; L982-Y1032 HydrophobicContact CG-CE2 3.84Å; L982-Y1032 WeakPolarHBondContact CG-OH 3.4Å; L982-L1057 HydrophobicContact CD2-CD2 4.26Å
983	I	97.1	Very high	94.8	Very high	4 Å²	4	17 Å²	17	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-58.7	-43.9	174.8	-66.3	165.9	0	0	0	111.2	F979 M985 T986 V987 L990 F1024 V1025 Y1032	F979-I983 HydrophobicContact CD1-CD1 3.99Å; F979-I983 HydrophobicContact CE1-CD1 3.65Å; F979-I983 HydrophobicContact CE1-CG1 4.48Å; F979-I983 HydrophobicContact CE2-CD1 4.38Å; F979-I983 HydrophobicContact CE2-CG1 4.36Å; F979-I983 HydrophobicContact CG-CD1 4.49Å; F979-I983 HydrophobicContact CZ-CD1 3.85Å; F979-I983 HydrophobicContact CZ-CG1 4.23Å; F979-I983 WeakPolarHBondContact O-CG1 3.31Å; F979-I983 PolarHBondContact O-N 3.26Å; I983-M985 VanDerWaalsContact C-N 3.29Å; I983-M985 PolarHBondContact O-N 3.35Å; I983-T986 PolarHBondContact O-N 3.46Å; I983-V987 PolarHBondContact O-N 2.88Å; I983-L990 HydrophobicContact CB-CD2 3.93Å; I983-L990 HydrophobicContact CG2-CD2 3.75Å; I983-F1024 HydrophobicContact CD1-CE1 4.16Å; I983-F1024 HydrophobicContact CD1-CE2 3.66Å; I983-F1024 HydrophobicContact CD1-CZ 3.4Å; I983-F1024 VanDerWaalsContact CD1-CZ 3.4Å; I983-V1025 HydrophobicContact CD1-CG1 4.23Å; I983-Y1032 HydrophobicContact CG1-CD2 4.06Å; I983-Y1032 HydrophobicContact CG1-CE2 4.41Å
984	R	95.5	Very high	93.9	Very high	34 Å²	34	20.5 Å²	20.5	13%	0.128	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-36.4	178.3	173.2	58.8	-171.4	81.5	-6	112.2	T878 F980 M981 L982 G988 L990	T878-R984 PolarHBondContact O-NH1 3.28Å; T878-R984 PolarHBondContact OG1-NH2 3.39Å; F980-R984 WeakPolarHBondContact O-CB 3.26Å; F980-R984 PolarHBondContact O-N 3.27Å; M981-R984 PolarHBondContact O-N 2.9Å; L982-R984 VanDerWaalsContact C-N 3.33Å; L982-R984 PolarHBondContact O-N 3.19Å; R984-G988 VanDerWaalsContact CZ-O 3.25Å; R984-G988 PolarHBondContact NE-O 3.25Å; R984-G988 PolarHBondContact NH1-O 2.89Å; R984-G988 VanDerWaalsContact O-CA 3.22Å; R984-G988 WeakPolarHBondContact O-CA 3.49Å; R984-G988 PolarHBondContact O-N 3.25Å; R984-G988 VanDerWaalsContact O-N 3.11Å; R984-L990 HydrophobicContact CB-CD1 4.29Å; R984-L990 HydrophobicContact CB-CG 4.2Å
985	M	96.3	Very high	93.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-70.6	-39.7	176.2	-71.7	-176.3	-60	0	0	112.5	I862 L866 R879 F880 V888 M981 L982 I983	I862-M985 HydrophobicContact CG2-SD 3.63Å; L866-M985 HydrophobicContact CD1-CG 4.05Å; L866-M985 HydrophobicContact CD2-CG 4.43Å; R879-M985 VanDerWaalsContact CA-O 3.3Å; R879-M985 WeakPolarHBondContact CA-O 3.3Å; R879-M985 WeakPolarHBondContact CB-O 3.43Å; F880-M985 HydrophobicContact CD2-CB 4.15Å; F880-M985 HydrophobicContact CD2-CG 4.03Å; F880-M985 HydrophobicContact CD2-SD 3.98Å; F880-M985 HydrophobicContact CE2-CG 4.17Å; F880-M985 HydrophobicContact CE2-SD 3.92Å; F880-M985 PolarHBondContact N-O 2.92Å; V888-M985 HydrophobicContact CB-CE 3.96Å; V888-M985 HydrophobicContact CB-SD 4.07Å; V888-M985 HydrophobicContact CG1-CE 3.75Å; V888-M985 HydrophobicContact CG1-SD 3.79Å; M981-M985 HydrophobicContact CG-CE 4.06Å; M981-M985 WeakPolarHBondContact O-CG 3.11Å; M981-M985 PolarHBondContact O-N 2.81Å; L982-M985 HydrophobicContact CD1-CE 4.01Å; L982-M985 PolarHBondContact O-N 3.38Å; I983-M985 VanDerWaalsContact C-N 3.29Å; I983-M985 PolarHBondContact O-N 3.35Å
986	T	96.3	Very high	91.5	Very high	23 Å²	23	27.7 Å²	27.7	14%	0.141	16%	0.16	C	C	.	.	H	α-helix	trans	-77.8	-45	-175.8	-59.4	0	0	0	0	113.4	L882 C885 L982 I983 Y1032	L882-T986 HydrophobicContact CD1-CG2 4.1Å; C885-T986 WeakPolarHBondContact CB-OG1 3.31Å; L982-T986 PolarHBondContact O-N 3.03Å; L982-T986 VanDerWaalsContact O-N 3.09Å; L982-T986 PolarHBondContact O-OG1 2.95Å; I983-T986 PolarHBondContact O-N 3.46Å; T986-Y1032 PolarHBondContact OG1-OH 3.47Å; T986-Y1032 VanDerWaalsContact OG1-OH 3.11Å
987	V	93.8	Very high	89.9	Confident	27 Å²	27	29 Å²	29	16%	0.164	17%	0.171	C	C	.	.	H	α-helix	trans	-100	-11.3	-174.4	-175.1	0	0	0	0	112.3	I983 Q989 C1028	I983-V987 PolarHBondContact O-N 2.88Å; V987-Q989 HydrophobicContact CG1-CG 4.47Å; V987-Q989 PolarHBondContact O-N 3.46Å; V987-C1028 VanDerWaalsContact CG2-SG 3.51Å
988	G	93	Very high	88	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	76.6	1.3	-178.6	0	0	0	0	0	114.9	T878 R984 R993	T878-G988 VanDerWaalsContact O-CA 3.25Å; T878-G988 WeakPolarHBondContact O-CA 3.43Å; R984-G988 VanDerWaalsContact CZ-O 3.25Å; R984-G988 PolarHBondContact NE-O 3.25Å; R984-G988 PolarHBondContact NH1-O 2.89Å; R984-G988 VanDerWaalsContact O-CA 3.22Å; R984-G988 WeakPolarHBondContact O-CA 3.49Å; R984-G988 PolarHBondContact O-N 3.25Å; R984-G988 VanDerWaalsContact O-N 3.11Å; G988-R993 PolarHBondContact O-NH1 3.02Å
989	Q	90.7	Very high	85.7	Confident	64 Å²	64	40.1 Å²	40.1	30%	0.299	22%	0.216	S	C	.	.	S	Bend	trans	-156.2	168.6	172.9	64.5	-178.2	11.5	0	0	111.7	V987 R993	V987-Q989 HydrophobicContact CG1-CG 4.47Å; V987-Q989 PolarHBondContact O-N 3.46Å; Q989-R993 HydrophobicContact CB-CB 4.24Å
990	L	92.6	Very high	83.2	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.242	C	C	.	.			trans	-108.8	154.9	163.6	-76.5	160.6	0	0	0	109.1	F957 Y958 F980 I983 R984 W992 R993	F957-L990 HydrophobicContact CD1-CD1 4.2Å; F957-L990 HydrophobicContact CE1-CD1 3.7Å; F957-L990 HydrophobicContact CZ-CB 4.37Å; F957-L990 HydrophobicContact CZ-CD1 4.24Å; Y958-L990 HydrophobicContact CD1-CD1 4.43Å; Y958-L990 HydrophobicContact CE1-CD1 4.21Å; F980-L990 HydrophobicContact CB-CD1 3.9Å; F980-L990 HydrophobicContact CB-CD2 3.98Å; F980-L990 HydrophobicContact CD1-CD2 4.49Å; I983-L990 HydrophobicContact CB-CD2 3.93Å; I983-L990 HydrophobicContact CG2-CD2 3.75Å; R984-L990 HydrophobicContact CB-CD1 4.29Å; R984-L990 HydrophobicContact CB-CG 4.2Å; L990-W992 HydrophobicContact CB-CD2 4.18Å; L990-W992 HydrophobicContact CB-CG 4.41Å; L990-W992 HydrophobicContact CB-CZ2 4.03Å; L990-W992 HydrophobicContact CD1-CZ2 3.81Å; L990-W992 HydrophobicContact CD2-CH2 4.11Å; L990-W992 HydrophobicContact CD2-CZ2 3.77Å; L990-W992 HydrophobicContact CG-CZ2 4.08Å; L990-W992 PolarHBondContact O-N 3.37Å; L990-R993 WeakPolarHBondContact O-CB 3.43Å; L990-R993 PolarHBondContact O-N 2.86Å
991	P	89.4	Confident	81.1	Confident	57 Å²	57	43.1 Å²	43.1	37%	0.37	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.2	-178.3	-29.3	38.1	0	0	0	115.3	L1017 F1024	P991-L1017 HydrophobicContact CB-CD1 4.21Å; P991-F1024 HydrophobicContact CG-CD2 4.26Å
992	W	90.7	Very high	79.6	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.008	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	17.9	176.6	52.5	74.1	0	0	0	114.3	F957 F980 L990 G994 W995 F1010 F1013 K1014 L1017 I1018 F1024	F957-W992 AromaticContact CD2-CD1 3.95Å; F957-W992 AromaticContact CE2-CD1 3.7Å; F957-W992 PolarHBondContact O-NE1 3.48Å; F980-W992 HydrophobicContact CB-CZ2 4.28Å; F980-W992 AromaticContact CD1-CH2 3.48Å; F980-W992 HydrophobicContact CD1-CH2 3.48Å; F980-W992 VanDerWaalsContact CD1-CH2 3.48Å; F980-W992 AromaticContact CD1-CZ2 3.74Å; F980-W992 HydrophobicContact CD1-CZ2 3.74Å; F980-W992 HydrophobicContact CD2-CZ2 4.38Å; F980-W992 AromaticContact CE1-CH2 3.59Å; F980-W992 HydrophobicContact CE1-CH2 3.59Å; F980-W992 HydrophobicContact CE1-CZ2 4.17Å; F980-W992 HydrophobicContact CG-CH2 4.1Å; F980-W992 AromaticContact CG-CZ2 3.87Å; F980-W992 HydrophobicContact CG-CZ2 3.87Å; F980-W992 HydrophobicContact CZ-CH2 4.3Å; L990-W992 HydrophobicContact CB-CD2 4.18Å; L990-W992 HydrophobicContact CB-CG 4.41Å; L990-W992 HydrophobicContact CB-CZ2 4.03Å; L990-W992 HydrophobicContact CD1-CZ2 3.81Å; L990-W992 HydrophobicContact CD2-CH2 4.11Å; L990-W992 HydrophobicContact CD2-CZ2 3.77Å; L990-W992 HydrophobicContact CG-CZ2 4.08Å; L990-W992 PolarHBondContact O-N 3.37Å; W992-G994 PolarHBondContact O-N 3.09Å; W992-W995 HydrophobicContact CB-CB 4.29Å; W992-W995 WeakPolarHBondContact O-CB 3.45Å; W992-W995 PolarHBondContact O-N 3.39Å; W992-F1010 HydrophobicContact CB-CE2 3.88Å; W992-F1010 HydrophobicContact CB-CZ 4.23Å; W992-F1010 AromaticContact CD1-CE2 3.91Å; W992-F1010 AromaticContact CD1-CZ 3.38Å; W992-F1010 HydrophobicContact CD2-CZ 4.44Å; W992-F1010 AromaticContact CG-CE2 3.92Å; W992-F1010 HydrophobicContact CG-CE2 3.92Å; W992-F1010 AromaticContact CG-CZ 3.75Å; W992-F1010 HydrophobicContact CG-CZ 3.75Å; W992-F1010 AromaticContact NE1-CZ 3.79Å; W992-F1013 HydrophobicContact CB-CD1 4.18Å; W992-F1013 HydrophobicContact CB-CE1 3.65Å; W992-K1014 HydrophobicContact CD2-CD 4.24Å; W992-K1014 HydrophobicContact CD2-CG 4.28Å; W992-K1014 HydrophobicContact CE3-CB 4.47Å; W992-K1014 HydrophobicContact CE3-CD 4.36Å; W992-K1014 HydrophobicContact CE3-CG 3.92Å; W992-K1014 HydrophobicContact CH2-CD 4.04Å; W992-K1014 VanDerWaalsContact CH2-CE 3.45Å; W992-K1014 HydrophobicContact CH2-CG 3.96Å; W992-K1014 HydrophobicContact CZ2-CD 3.89Å; W992-K1014 HydrophobicContact CZ2-CG 4.29Å; W992-K1014 HydrophobicContact CZ3-CD 4.27Å; W992-K1014 HydrophobicContact CZ3-CG 3.76Å; W992-L1017 HydrophobicContact CB-CD1 4.5Å; W992-L1017 HydrophobicContact CE3-CD1 4.12Å; W992-I1018 HydrophobicContact CH2-CD1 4.4Å; W992-I1018 HydrophobicContact CZ3-CD1 4.41Å; W992-I1018 HydrophobicContact CZ3-CG1 4.26Å; W992-F1024 HydrophobicContact CH2-CD2 4.3Å; W992-F1024 AromaticContact CH2-CE2 3.66Å; W992-F1024 HydrophobicContact CH2-CE2 3.66Å; W992-F1024 HydrophobicContact CZ3-CD2 4.03Å; W992-F1024 AromaticContact CZ3-CE2 3.87Å; W992-F1024 HydrophobicContact CZ3-CE2 3.87Å
993	R	84.4	Confident	78.1	Confident	114 Å²	114	47.5 Å²	47.5	43%	0.43	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-36.9	177.5	178.5	172.9	173.5	161.5	-6.9	113	G876 G988 Q989 L990	G876-R993 PolarHBondContact O-NH1 3.32Å; G876-R993 PolarHBondContact O-NH2 3.11Å; G988-R993 PolarHBondContact O-NH1 3.02Å; Q989-R993 HydrophobicContact CB-CB 4.24Å; L990-R993 WeakPolarHBondContact O-CB 3.43Å; L990-R993 PolarHBondContact O-N 2.86Å
994	G	76.1	Confident	76.8	Confident	75 Å²	75	50.3 Å²	50.3	77%	0.773	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	0.7	177.3	0	0	0	0	0	115.4	W992 S996	W992-G994 PolarHBondContact O-N 3.09Å; G994-S996 PolarHBondContact O-N 3.29Å
995	W	80.5	Confident	75.5	Confident	56 Å²	56	49.3 Å²	49.3	21%	0.212	29%	0.287	C	S	.	.			trans	-73.1	124.2	179.1	-172.9	92.2	0	0	0	110.6	W992 P997 Q1006 M1009 F1010 F1013	W992-W995 HydrophobicContact CB-CB 4.29Å; W992-W995 WeakPolarHBondContact O-CB 3.45Å; W992-W995 PolarHBondContact O-N 3.39Å; W995-P997 HydrophobicContact CH2-CB 3.72Å; W995-P997 HydrophobicContact CZ3-CB 3.79Å; W995-P997 HydrophobicContact CZ3-CG 4.15Å; W995-Q1006 HydrophobicContact CH2-CB 4.46Å; W995-Q1006 WeakPolarHBondContact CH2-O 3.46Å; W995-M1009 HydrophobicContact CZ2-CB 4.31Å; W995-F1010 HydrophobicContact CB-CD2 4.32Å; W995-F1010 HydrophobicContact CB-CE2 3.92Å; W995-F1010 AromaticContact CD2-CD2 3.31Å; W995-F1010 HydrophobicContact CD2-CD2 3.31Å; W995-F1010 AromaticContact CD2-CE2 3.76Å; W995-F1010 HydrophobicContact CD2-CE2 3.76Å; W995-F1010 HydrophobicContact CD2-CG 4.27Å; W995-F1010 AromaticContact CE2-CD2 3.68Å; W995-F1010 HydrophobicContact CE3-CB 4.45Å; W995-F1010 AromaticContact CE3-CD2 3.41Å; W995-F1010 HydrophobicContact CE3-CD2 3.41Å; W995-F1010 VanDerWaalsContact CE3-CD2 3.41Å; W995-F1010 AromaticContact CE3-CE2 3.75Å; W995-F1010 HydrophobicContact CE3-CE2 3.75Å; W995-F1010 HydrophobicContact CE3-CG 4.11Å; W995-F1010 AromaticContact CG-CD2 3.71Å; W995-F1010 HydrophobicContact CG-CD2 3.71Å; W995-F1010 AromaticContact CG-CE2 3.83Å; W995-F1010 HydrophobicContact CG-CE2 3.83Å; W995-F1010 HydrophobicContact CH2-CB 3.73Å; W995-F1010 HydrophobicContact CH2-CD2 4.2Å; W995-F1010 HydrophobicContact CH2-CG 4.26Å; W995-F1010 HydrophobicContact CZ2-CB 3.83Å; W995-F1010 HydrophobicContact CZ2-CD2 4.13Å; W995-F1010 HydrophobicContact CZ2-CG 4.42Å; W995-F1010 HydrophobicContact CZ3-CB 4.06Å; W995-F1010 AromaticContact CZ3-CD2 3.87Å; W995-F1010 HydrophobicContact CZ3-CD2 3.87Å; W995-F1010 HydrophobicContact CZ3-CG 4.09Å; W995-F1013 HydrophobicContact CB-CD1 4.3Å; W995-F1013 HydrophobicContact CB-CE1 3.98Å; W995-F1013 AromaticContact CD1-CD1 3.4Å; W995-F1013 AromaticContact CD1-CE1 3.68Å; W995-F1013 AromaticContact CD1-CG 3.87Å; W995-F1013 HydrophobicContact CG-CD1 4Å; W995-F1013 HydrophobicContact CG-CE1 4.12Å
996	S	63.3	Low	74.6	Confident	96 Å²	96	51.2 Å²	51.2	67%	0.671	30%	0.296	S	S	*	.			trans	-119	133.5	175.2	-70.2	0	0	0	0	110.5	G994	G994-S996 PolarHBondContact O-N 3.29Å
997	P	64.4	Low	73.9	Confident	48 Å²	48	50.2 Å²	50.2	31%	0.312	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-66	149.7	174.9	25.7	-31.9	0	0	0	111.4	W995 R999 Q1006	W995-P997 HydrophobicContact CH2-CB 3.72Å; W995-P997 HydrophobicContact CZ3-CB 3.79Å; W995-P997 HydrophobicContact CZ3-CG 4.15Å; P997-R999 PolarHBondContact O-N 2.75Å; P997-Q1006 HydrophobicContact CB-CB 4.06Å; P997-Q1006 VanDerWaalsContact CB-CD 3.46Å; P997-Q1006 HydrophobicContact CB-CG 3.51Å; P997-Q1006 VanDerWaalsContact CB-OE1 3.31Å; P997-Q1006 HydrophobicContact CG-CG 4.48Å
998	P	57	Low	73.4	Confident	33 Å²	33	51.1 Å²	51.1	21%	0.214	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-59.1	132.3	167.1	-19.5	31.5	0	0	0	110.5	M178 C1001 M1009	M178-P998 HydrophobicContact SD-CB 4.49Å; M178-P998 HydrophobicContact SD-CG 4.46Å; P998-C1001 HydrophobicContact CB-CB 4.11Å; P998-C1001 WeakPolarHBondContact O-CB 3.35Å; P998-C1001 PolarHBondContact O-N 2.88Å; P998-M1009 HydrophobicContact CG-CE 4.28Å; P998-M1009 HydrophobicContact CG-SD 4.18Å
999	R	49.3	Very low	72.9	Confident	208 Å²	208	53.1 Å²	53.1	79%	0.785	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	139.7	173.5	-65.3	-179.8	-125.5	161.9	-0.3	108.8	R224 P997 C1001	R224-R999 VanDerWaalsContact NH1-CB 3.29Å; R224-R999 VanDerWaalsContact NH1-CG 3.33Å; P997-R999 PolarHBondContact O-N 2.75Å; R999-C1001 VanDerWaalsContact C-N 3.29Å
1000	G	45.5	Very low	72.8	Confident	53 Å²	53	50.3 Å²	50.3	55%	0.546	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-0.9	-177.6	0	0	0	0	0	115.1
1001	C	54.1	Low	72.6	Confident	10 Å²	10	50.2 Å²	50.2	7%	0.068	29%	0.29	C	S	.	.			trans	-80.2	138.8	178.8	-174.3	0	0	0	0	111.6	M178 P998 R999 K1005 Q1006	M178-C1001 HydrophobicContact SD-CB 4.14Å; M178-C1001 VanDerWaalsContact SD-SG 3.62Å; P998-C1001 HydrophobicContact CB-CB 4.11Å; P998-C1001 WeakPolarHBondContact O-CB 3.35Å; P998-C1001 PolarHBondContact O-N 2.88Å; R999-C1001 VanDerWaalsContact C-N 3.29Å; C1001-K1005 WeakPolarHBondContact SG-CB 3.27Å; C1001-K1005 VanDerWaalsContact SG-CG 3.5Å; C1001-Q1006 HydrophobicContact CB-CG 3.99Å; C1001-Q1006 PolarHBondContact O-NE2 3.04Å
1002	S	63.5	Low	72.6	Confident	31 Å²	31	52.7 Å²	52.7	22%	0.217	30%	0.297	C	S	.	.			trans	-61.2	149.7	176	74.1	0	0	0	0	111.6	M178 T1004 K1005 Q1006	M178-S1002 WeakPolarHBondContact O-CB 3.11Å; M178-S1002 PolarHBondContact O-OG 2.87Å; S1002-T1004 PolarHBondContact O-N 2.97Å; S1002-K1005 PolarHBondContact O-N 2.58Å; S1002-K1005 PolarHBondContact OG-N 3.38Å; S1002-Q1006 WeakPolarHBondContact O-CG 3.26Å; S1002-Q1006 PolarHBondContact O-N 3.38Å
1003	V	67.1	Low	72.5	Confident	62 Å²	62	55.4 Å²	55.4	38%	0.376	31%	0.309	S	S	.	.	H	α-helix	trans	-55.4	-37.4	177.9	179.2	0	0	0	0	111.2	F952 K1005 Q1006 A1007	F952-V1003 HydrophobicContact CD1-CG1 4.38Å; V1003-K1005 PolarHBondContact O-N 3.44Å; V1003-Q1006 PolarHBondContact O-N 3.33Å; V1003-A1007 PolarHBondContact O-N 3.46Å
1004	T	69.3	Low	72.8	Confident	63 Å²	63	50 Å²	50	39%	0.387	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-43.8	174.5	-45.6	0	0	0	0	112	Q179 S1002 A1007 L1008	Q179-T1004 PolarHBondContact OE1-O 3.12Å; Q179-T1004 VanDerWaalsContact OE1-O 3.05Å; S1002-T1004 PolarHBondContact O-N 2.97Å; T1004-A1007 WeakPolarHBondContact O-CB 3.5Å; T1004-A1007 PolarHBondContact O-N 3.4Å; T1004-L1008 PolarHBondContact O-N 2.87Å
1005	K	67.8	Low	73.6	Confident	13 Å²	13	46.9 Å²	46.9	6%	0.057	26%	0.256	C	S	.	.	H	α-helix	trans	-76.2	-33.2	177.7	-176.7	163.1	-174.4	177.2	0	114.2	M178 Q179 E255 C1001 S1002 V1003 A1007 L1008 M1009	M178-K1005 HydrophobicContact CB-CD 3.56Å; M178-K1005 HydrophobicContact CG-CD 3.75Å; M178-K1005 WeakPolarHBondContact O-CB 3.49Å; M178-K1005 HydrophobicContact SD-CD 3.46Å; M178-K1005 WeakPolarHBondContact SD-CD 3.22Å; M178-K1005 WeakPolarHBondContact SD-CE 3.37Å; M178-K1005 HydrophobicContact SD-CG 4.29Å; M178-K1005 PolarHBondContact SD-NZ 3.16Å; Q179-K1005 HydrophobicContact CB-CB 3.73Å; Q179-K1005 HydrophobicContact CG-CB 3.68Å; Q179-K1005 HydrophobicContact CG-CD 4Å; Q179-K1005 HydrophobicContact CG-CG 4.04Å; Q179-K1005 VanDerWaalsContact OE1-N 3.16Å; E255-K1005 IonicContact OE1-NZ 2.72Å; E255-K1005 PolarHBondContact OE1-NZ 2.87Å; E255-K1005 IonicContact OE2-NZ 3.28Å; E255-K1005 PolarHBondContact OE2-NZ 3Å; C1001-K1005 WeakPolarHBondContact SG-CB 3.27Å; C1001-K1005 VanDerWaalsContact SG-CG 3.5Å; S1002-K1005 PolarHBondContact O-N 2.58Å; S1002-K1005 PolarHBondContact OG-N 3.38Å; V1003-K1005 PolarHBondContact O-N 3.44Å; K1005-A1007 PolarHBondContact O-N 3.28Å; K1005-L1008 PolarHBondContact O-N 3.25Å; K1005-M1009 HydrophobicContact CD-CG 4.33Å; K1005-M1009 HydrophobicContact CD-SD 3.96Å; K1005-M1009 WeakPolarHBondContact CE-SD 3.5Å; K1005-M1009 HydrophobicContact CG-CG 3.64Å; K1005-M1009 HydrophobicContact CG-SD 3.58Å; K1005-M1009 VanDerWaalsContact CG-SD 3.58Å; K1005-M1009 WeakPolarHBondContact O-CB 3.33Å; K1005-M1009 WeakPolarHBondContact O-CG 3.45Å; K1005-M1009 PolarHBondContact O-N 3.27Å
1006	Q	77.1	Confident	74	Confident	40 Å²	40	49.5 Å²	49.5	19%	0.187	27%	0.266	C	S	.	.	H	α-helix	trans	-56.3	-42.9	167.7	-60.4	-176.9	32.9	0	0	109.5	L956 W995 P997 C1001 S1002 V1003 F1010	L956-Q1006 HydrophobicContact CD1-CB 4.07Å; W995-Q1006 HydrophobicContact CH2-CB 4.46Å; W995-Q1006 WeakPolarHBondContact CH2-O 3.46Å; P997-Q1006 HydrophobicContact CB-CB 4.06Å; P997-Q1006 VanDerWaalsContact CB-CD 3.46Å; P997-Q1006 HydrophobicContact CB-CG 3.51Å; P997-Q1006 VanDerWaalsContact CB-OE1 3.31Å; P997-Q1006 HydrophobicContact CG-CG 4.48Å; C1001-Q1006 HydrophobicContact CB-CG 3.99Å; C1001-Q1006 PolarHBondContact O-NE2 3.04Å; S1002-Q1006 WeakPolarHBondContact O-CG 3.26Å; S1002-Q1006 PolarHBondContact O-N 3.38Å; V1003-Q1006 PolarHBondContact O-N 3.33Å; Q1006-F1010 WeakPolarHBondContact O-CB 3.43Å; Q1006-F1010 PolarHBondContact O-N 3.05Å; Q1006-F1010 VanDerWaalsContact O-N 3.15Å
1007	A	82.4	Confident	75.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-57.7	173.8	0	0	0	0	0	113	F952 L956 L964 V1003 T1004 K1005 M1009 F1010 G1011	F952-A1007 HydrophobicContact CB-CB 3.94Å; F952-A1007 HydrophobicContact CD1-CB 4Å; F952-A1007 HydrophobicContact CD2-CB 4.11Å; F952-A1007 HydrophobicContact CG-CB 3.71Å; L956-A1007 HydrophobicContact CD2-CB 3.64Å; L964-A1007 WeakPolarHBondContact CB-O 3.41Å; L964-A1007 HydrophobicContact CD2-CB 3.82Å; L964-A1007 CarbonylContact O-C 3.57Å; V1003-A1007 PolarHBondContact O-N 3.46Å; T1004-A1007 WeakPolarHBondContact O-CB 3.5Å; T1004-A1007 PolarHBondContact O-N 3.4Å; K1005-A1007 PolarHBondContact O-N 3.28Å; A1007-M1009 PolarHBondContact O-N 2.99Å; A1007-F1010 PolarHBondContact O-N 3.47Å; A1007-G1011 PolarHBondContact O-N 2.93Å
1008	L	84.1	Confident	76.6	Confident	46 Å²	46	44.5 Å²	44.5	24%	0.241	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-43.5	-173.9	-104	163.1	0	0	0	113.2	L964 R965 T1004 K1005 F1010 G1011 E1012	L964-L1008 WeakPolarHBondContact O-CA 3.38Å; L964-L1008 PolarHBondContact O-N 3.04Å; R965-L1008 HydrophobicContact CB-CD2 4.19Å; R965-L1008 HydrophobicContact CG-CD2 4.02Å; T1004-L1008 PolarHBondContact O-N 2.87Å; K1005-L1008 PolarHBondContact O-N 3.25Å; L1008-F1010 VanDerWaalsContact C-N 3.33Å; L1008-F1010 PolarHBondContact O-N 3.2Å; L1008-G1011 PolarHBondContact O-N 3.03Å; L1008-E1012 PolarHBondContact O-N 2.77Å; L1008-E1012 VanDerWaalsContact O-N 3.07Å
1009	M	82.1	Confident	78.2	Confident	43 Å²	43	52 Å²	52	21%	0.212	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-40.9	174.7	-69.4	179	83.2	0	0	111.6	M178 W995 P998 K1005 A1007 G1011 E1012 F1013	M178-M1009 HydrophobicContact SD-SD 4.33Å; W995-M1009 HydrophobicContact CZ2-CB 4.31Å; P998-M1009 HydrophobicContact CG-CE 4.28Å; P998-M1009 HydrophobicContact CG-SD 4.18Å; K1005-M1009 HydrophobicContact CD-CG 4.33Å; K1005-M1009 HydrophobicContact CD-SD 3.96Å; K1005-M1009 WeakPolarHBondContact CE-SD 3.5Å; K1005-M1009 HydrophobicContact CG-CG 3.64Å; K1005-M1009 HydrophobicContact CG-SD 3.58Å; K1005-M1009 VanDerWaalsContact CG-SD 3.58Å; K1005-M1009 WeakPolarHBondContact O-CB 3.33Å; K1005-M1009 WeakPolarHBondContact O-CG 3.45Å; K1005-M1009 PolarHBondContact O-N 3.27Å; A1007-M1009 PolarHBondContact O-N 2.99Å; M1009-G1011 VanDerWaalsContact C-N 3.35Å; M1009-E1012 PolarHBondContact O-N 2.69Å; M1009-F1013 PolarHBondContact O-N 3.36Å; M1009-F1013 VanDerWaalsContact O-N 3.08Å
1010	F	87.4	Confident	80.1	Confident	4 Å²	4	46 Å²	46	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-39.3	176.9	-170.3	-127	0	0	0	111.6	L956 L964 W992 W995 Q1006 A1007 L1008 E1012 F1013 K1014	L956-F1010 WeakPolarHBondContact O-CE1 3.44Å; L964-F1010 HydrophobicContact CD1-CD1 3.59Å; L964-F1010 HydrophobicContact CD1-CE1 4.22Å; L964-F1010 HydrophobicContact CD1-CG 4.41Å; L964-F1010 HydrophobicContact CD2-CD1 4.02Å; L964-F1010 HydrophobicContact CG-CD1 4.5Å; W992-F1010 HydrophobicContact CB-CE2 3.88Å; W992-F1010 HydrophobicContact CB-CZ 4.23Å; W992-F1010 AromaticContact CD1-CE2 3.91Å; W992-F1010 AromaticContact CD1-CZ 3.38Å; W992-F1010 HydrophobicContact CD2-CZ 4.44Å; W992-F1010 AromaticContact CG-CE2 3.92Å; W992-F1010 HydrophobicContact CG-CE2 3.92Å; W992-F1010 AromaticContact CG-CZ 3.75Å; W992-F1010 HydrophobicContact CG-CZ 3.75Å; W992-F1010 AromaticContact NE1-CZ 3.79Å; W995-F1010 HydrophobicContact CB-CD2 4.32Å; W995-F1010 HydrophobicContact CB-CE2 3.92Å; W995-F1010 AromaticContact CD2-CD2 3.31Å; W995-F1010 HydrophobicContact CD2-CD2 3.31Å; W995-F1010 AromaticContact CD2-CE2 3.76Å; W995-F1010 HydrophobicContact CD2-CE2 3.76Å; W995-F1010 HydrophobicContact CD2-CG 4.27Å; W995-F1010 AromaticContact CE2-CD2 3.68Å; W995-F1010 HydrophobicContact CE3-CB 4.45Å; W995-F1010 AromaticContact CE3-CD2 3.41Å; W995-F1010 HydrophobicContact CE3-CD2 3.41Å; W995-F1010 VanDerWaalsContact CE3-CD2 3.41Å; W995-F1010 AromaticContact CE3-CE2 3.75Å; W995-F1010 HydrophobicContact CE3-CE2 3.75Å; W995-F1010 HydrophobicContact CE3-CG 4.11Å; W995-F1010 AromaticContact CG-CD2 3.71Å; W995-F1010 HydrophobicContact CG-CD2 3.71Å; W995-F1010 AromaticContact CG-CE2 3.83Å; W995-F1010 HydrophobicContact CG-CE2 3.83Å; W995-F1010 HydrophobicContact CH2-CB 3.73Å; W995-F1010 HydrophobicContact CH2-CD2 4.2Å; W995-F1010 HydrophobicContact CH2-CG 4.26Å; W995-F1010 HydrophobicContact CZ2-CB 3.83Å; W995-F1010 HydrophobicContact CZ2-CD2 4.13Å; W995-F1010 HydrophobicContact CZ2-CG 4.42Å; W995-F1010 HydrophobicContact CZ3-CB 4.06Å; W995-F1010 AromaticContact CZ3-CD2 3.87Å; W995-F1010 HydrophobicContact CZ3-CD2 3.87Å; W995-F1010 HydrophobicContact CZ3-CG 4.09Å; Q1006-F1010 WeakPolarHBondContact O-CB 3.43Å; Q1006-F1010 PolarHBondContact O-N 3.05Å; Q1006-F1010 VanDerWaalsContact O-N 3.15Å; A1007-F1010 PolarHBondContact O-N 3.47Å; L1008-F1010 VanDerWaalsContact C-N 3.33Å; L1008-F1010 PolarHBondContact O-N 3.2Å; F1010-E1012 PolarHBondContact O-N 2.84Å; F1010-F1013 HydrophobicContact CD2-CD1 4.45Å; F1010-F1013 PolarHBondContact O-N 2.94Å; F1010-K1014 HydrophobicContact CE1-CD 4.09Å; F1010-K1014 HydrophobicContact CZ-CD 4.44Å; F1010-K1014 WeakPolarHBondContact O-CB 3.49Å; F1010-K1014 PolarHBondContact O-N 3.22Å
1011	G	90.1	Very high	82.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-39.7	175.2	0	0	0	0	0	113.1	V961 A1007 L1008 M1009 G1015	V961-G1011 WeakPolarHBondContact CG1-O 3.19Å; A1007-G1011 PolarHBondContact O-N 2.93Å; L1008-G1011 PolarHBondContact O-N 3.03Å; M1009-G1011 VanDerWaalsContact C-N 3.35Å; G1011-G1015 WeakPolarHBondContact O-CA 3.41Å; G1011-G1015 PolarHBondContact O-N 3.4Å
1012	E	88	Confident	84	Confident	109 Å²	109	54.6 Å²	54.6	51%	0.509	25%	0.253	S	S	.	.	H	α-helix	trans	-69.8	-41.1	174.8	-72.2	176.2	-178.5	0	0	113.2	L1008 M1009 F1010 R1016	L1008-E1012 PolarHBondContact O-N 2.77Å; L1008-E1012 VanDerWaalsContact O-N 3.07Å; M1009-E1012 PolarHBondContact O-N 2.69Å; F1010-E1012 PolarHBondContact O-N 2.84Å; E1012-R1016 WeakPolarHBondContact O-CG 3.34Å; E1012-R1016 PolarHBondContact O-N 2.92Å; E1012-R1016 VanDerWaalsContact O-N 3.16Å
1013	F	88.3	Confident	85.2	Confident	59 Å²	59	60.6 Å²	60.6	26%	0.259	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-53.2	174.5	177	-112.6	0	0	0	111.6	W992 W995 M1009 F1010 G1015 R1016 L1017	W992-F1013 HydrophobicContact CB-CD1 4.18Å; W992-F1013 HydrophobicContact CB-CE1 3.65Å; W995-F1013 HydrophobicContact CB-CD1 4.3Å; W995-F1013 HydrophobicContact CB-CE1 3.98Å; W995-F1013 AromaticContact CD1-CD1 3.4Å; W995-F1013 AromaticContact CD1-CE1 3.68Å; W995-F1013 AromaticContact CD1-CG 3.87Å; W995-F1013 HydrophobicContact CG-CD1 4Å; W995-F1013 HydrophobicContact CG-CE1 4.12Å; M1009-F1013 PolarHBondContact O-N 3.36Å; M1009-F1013 VanDerWaalsContact O-N 3.08Å; F1010-F1013 HydrophobicContact CD2-CD1 4.45Å; F1010-F1013 PolarHBondContact O-N 2.94Å; F1013-G1015 VanDerWaalsContact C-N 3.32Å; F1013-G1015 PolarHBondContact O-N 2.88Å; F1013-R1016 PolarHBondContact O-N 3.03Å; F1013-R1016 VanDerWaalsContact O-N 3.16Å; F1013-L1017 HydrophobicContact CD1-CD1 4.17Å; F1013-L1017 HydrophobicContact CE1-CD1 3.68Å; F1013-L1017 HydrophobicContact CE2-CD1 4.2Å; F1013-L1017 HydrophobicContact CZ-CD1 3.69Å; F1013-L1017 PolarHBondContact O-N 3.44Å
1014	K	92.3	Very high	86.5	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-42.2	177.5	-175.8	162.5	176.9	170.8	0	111.6	F957 Y958 A959 V961 L964 F980 W992 F1010 R1016 L1017 I1018	F957-K1014 PolarHBondContact O-NZ 2.92Å; F957-K1014 VanDerWaalsContact O-NZ 3.09Å; Y958-K1014 PolarHBondContact O-NZ 2.93Å; A959-K1014 WeakPolarHBondContact O-CE 3.49Å; A959-K1014 PolarHBondContact O-NZ 3.43Å; V961-K1014 HydrophobicContact CG2-CB 4.26Å; V961-K1014 HydrophobicContact CG2-CG 3.94Å; L964-K1014 HydrophobicContact CD1-CD 3.99Å; F980-K1014 VanDerWaalsContact CD2-NZ 3.27Å; W992-K1014 HydrophobicContact CD2-CD 4.24Å; W992-K1014 HydrophobicContact CD2-CG 4.28Å; W992-K1014 HydrophobicContact CE3-CB 4.47Å; W992-K1014 HydrophobicContact CE3-CD 4.36Å; W992-K1014 HydrophobicContact CE3-CG 3.92Å; W992-K1014 HydrophobicContact CH2-CD 4.04Å; W992-K1014 VanDerWaalsContact CH2-CE 3.45Å; W992-K1014 HydrophobicContact CH2-CG 3.96Å; W992-K1014 HydrophobicContact CZ2-CD 3.89Å; W992-K1014 HydrophobicContact CZ2-CG 4.29Å; W992-K1014 HydrophobicContact CZ3-CD 4.27Å; W992-K1014 HydrophobicContact CZ3-CG 3.76Å; F1010-K1014 HydrophobicContact CE1-CD 4.09Å; F1010-K1014 HydrophobicContact CZ-CD 4.44Å; F1010-K1014 WeakPolarHBondContact O-CB 3.49Å; F1010-K1014 PolarHBondContact O-N 3.22Å; K1014-R1016 PolarHBondContact O-N 3.27Å; K1014-L1017 PolarHBondContact O-N 3.26Å; K1014-I1018 HydrophobicContact CG-CD1 3.72Å; K1014-I1018 WeakPolarHBondContact O-CG1 3.38Å; K1014-I1018 PolarHBondContact O-N 2.87Å
1015	G	91.9	Very high	87.7	Confident	9 Å²	9	55.4 Å²	55.4	9%	0.093	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-33.4	176.4	0	0	0	0	0	114.4	G1011 F1013 R1019	G1011-G1015 WeakPolarHBondContact O-CA 3.41Å; G1011-G1015 PolarHBondContact O-N 3.4Å; F1013-G1015 VanDerWaalsContact C-N 3.32Å; F1013-G1015 PolarHBondContact O-N 2.88Å; G1015-R1019 WeakPolarHBondContact O-CG 3.26Å; G1015-R1019 PolarHBondContact O-N 3.07Å
1016	R	89.5	Confident	88.8	Confident	111 Å²	111	61.5 Å²	61.5	42%	0.419	27%	0.267	S	S	.	.	H	α-helix	trans	-70.7	-37.1	173.7	-76.2	-176.5	-67.8	140.9	-5.5	112.6	I258 E1012 F1013 K1014	I258-R1016 VanDerWaalsContact CD1-NH1 3.28Å; E1012-R1016 WeakPolarHBondContact O-CG 3.34Å; E1012-R1016 PolarHBondContact O-N 2.92Å; E1012-R1016 VanDerWaalsContact O-N 3.16Å; F1013-R1016 PolarHBondContact O-N 3.03Å; F1013-R1016 VanDerWaalsContact O-N 3.16Å; K1014-R1016 PolarHBondContact O-N 3.27Å
1017	L	89.5	Confident	89.5	Confident	28 Å²	28	62.8 Å²	62.8	15%	0.147	29%	0.291	C	S	.	.	H	α-helix	trans	-67.5	-47.9	176.1	-67.7	170.7	0	0	0	111.4	P991 W992 F1013 K1014 R1019 N1020	P991-L1017 HydrophobicContact CB-CD1 4.21Å; W992-L1017 HydrophobicContact CB-CD1 4.5Å; W992-L1017 HydrophobicContact CE3-CD1 4.12Å; F1013-L1017 HydrophobicContact CD1-CD1 4.17Å; F1013-L1017 HydrophobicContact CE1-CD1 3.68Å; F1013-L1017 HydrophobicContact CE2-CD1 4.2Å; F1013-L1017 HydrophobicContact CZ-CD1 3.69Å; F1013-L1017 PolarHBondContact O-N 3.44Å; K1014-L1017 PolarHBondContact O-N 3.26Å; L1017-R1019 VanDerWaalsContact C-N 3.3Å; L1017-R1019 PolarHBondContact O-N 3.22Å; L1017-N1020 PolarHBondContact O-N 3.45Å; L1017-N1020 VanDerWaalsContact O-N 3.09Å
1018	I	92.7	Very high	90.2	Very high	11 Å²	11	63.9 Å²	63.9	6%	0.056	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-33.6	-177.5	-69.9	166.7	0	0	0	112.7	V961 W976 F980 W992 K1014 N1020 F1024 Q1040	V961-I1018 HydrophobicContact CG2-CD1 3.79Å; W976-I1018 HydrophobicContact CH2-CG2 3.69Å; W976-I1018 HydrophobicContact CZ2-CG2 4.45Å; W976-I1018 HydrophobicContact CZ3-CG2 4.04Å; F980-I1018 HydrophobicContact CE1-CD1 3.69Å; F980-I1018 HydrophobicContact CE1-CG1 4.41Å; F980-I1018 HydrophobicContact CZ-CD1 3.67Å; W992-I1018 HydrophobicContact CH2-CD1 4.4Å; W992-I1018 HydrophobicContact CZ3-CD1 4.41Å; W992-I1018 HydrophobicContact CZ3-CG1 4.26Å; K1014-I1018 HydrophobicContact CG-CD1 3.72Å; K1014-I1018 WeakPolarHBondContact O-CG1 3.38Å; K1014-I1018 PolarHBondContact O-N 2.87Å; I1018-N1020 PolarHBondContact O-N 2.87Å; I1018-F1024 HydrophobicContact CB-CD1 4.42Å; I1018-F1024 HydrophobicContact CG1-CD1 4.12Å; I1018-F1024 HydrophobicContact CG1-CD2 4.04Å; I1018-F1024 HydrophobicContact CG1-CE1 4.16Å; I1018-F1024 HydrophobicContact CG1-CE2 4.12Å; I1018-F1024 HydrophobicContact CG1-CG 4.08Å; I1018-F1024 HydrophobicContact CG1-CZ 4.19Å; I1018-F1024 HydrophobicContact CG2-CD1 4.32Å; I1018-F1024 HydrophobicContact CG2-CE1 4.43Å; I1018-Q1040 PolarHBondContact O-NE2 2.89Å; I1018-Q1040 VanDerWaalsContact O-NE2 3.09Å
1019	R	89.9	Confident	90.8	Very high	190 Å²	190	62.6 Å²	62.6	72%	0.717	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.1	174.8	-81.4	175.9	178.7	179.9	-0.9	113.8	G1015 L1017	G1015-R1019 WeakPolarHBondContact O-CG 3.26Å; G1015-R1019 PolarHBondContact O-N 3.07Å; L1017-R1019 VanDerWaalsContact C-N 3.3Å; L1017-R1019 PolarHBondContact O-N 3.22Å
1020	N	90.4	Very high	91.4	Very high	84 Å²	84	64 Å²	64	45%	0.449	31%	0.312	S	S	.	.	S	Bend	trans	-98.5	83.6	171.2	-174	-32.8	0	0	0	108.3	L1017 I1018 R1022 R1023 F1024	L1017-N1020 PolarHBondContact O-N 3.45Å; L1017-N1020 VanDerWaalsContact O-N 3.09Å; I1018-N1020 PolarHBondContact O-N 2.87Å; N1020-R1022 VanDerWaalsContact C-N 3.29Å; N1020-R1022 PolarHBondContact O-N 2.79Å; N1020-R1023 HydrophobicContact CB-CB 4.19Å; N1020-R1023 PolarHBondContact O-N 2.73Å; N1020-R1023 VanDerWaalsContact O-N 3.07Å; N1020-R1023 WeakPolarHBondContact OD1-CB 3.48Å; N1020-R1023 PolarHBondContact OD1-N 3.46Å; N1020-R1023 VanDerWaalsContact OD1-N 3.08Å; N1020-F1024 WeakPolarHBondContact O-CB 3.45Å; N1020-F1024 PolarHBondContact O-N 2.92Å
1021	V	92.1	Very high	91.8	Very high	20 Å²	20	64.4 Å²	64.4	12%	0.121	31%	0.314	C	S	.	.	H	α-helix	trans	-49.6	-50.2	-176.2	174	0	0	0	0	111.2	R1023 F1024 V1025 A1033 A1036 E1037	V1021-R1023 VanDerWaalsContact C-N 3.31Å; V1021-R1023 PolarHBondContact O-N 2.97Å; V1021-F1024 PolarHBondContact O-N 3.49Å; V1021-V1025 HydrophobicContact CG1-CG2 4.42Å; V1021-V1025 WeakPolarHBondContact O-CG2 3.35Å; V1021-V1025 PolarHBondContact O-N 3.48Å; V1021-A1033 HydrophobicContact CG1-CB 3.82Å; V1021-A1036 HydrophobicContact CG1-CB 3.93Å; V1021-A1036 HydrophobicContact CG2-CB 4.46Å; V1021-E1037 HydrophobicContact CG1-CG 4.49Å; V1021-E1037 HydrophobicContact CG2-CG 4.21Å
1022	R	89.1	Confident	92.1	Very high	223 Å²	223	64.4 Å²	64.4	84%	0.842	31%	0.314	S	S	*	.	H	α-helix	trans	-55.6	-39.6	-179.6	-175.7	176.9	177.4	-179.5	-0	113.6	N1020	N1020-R1022 VanDerWaalsContact C-N 3.29Å; N1020-R1022 PolarHBondContact O-N 2.79Å
1023	R	88.9	Confident	92.5	Very high	157 Å²	157	60.5 Å²	60.5	59%	0.592	30%	0.3	S	S	*	.	H	α-helix	trans	-80	-31.4	176.3	-173	177.6	-179.5	177.6	1.9	112.5	N1020 V1021 E1026	N1020-R1023 HydrophobicContact CB-CB 4.19Å; N1020-R1023 PolarHBondContact O-N 2.73Å; N1020-R1023 VanDerWaalsContact O-N 3.07Å; N1020-R1023 WeakPolarHBondContact OD1-CB 3.48Å; N1020-R1023 PolarHBondContact OD1-N 3.46Å; N1020-R1023 VanDerWaalsContact OD1-N 3.08Å; V1021-R1023 VanDerWaalsContact C-N 3.31Å; V1021-R1023 PolarHBondContact O-N 2.97Å; R1023-E1026 WeakPolarHBondContact O-CB 3.47Å
1024	F	92.6	Very high	92.9	Very high	3 Å²	3	61.7 Å²	61.7	1%	0.013	31%	0.306	C	S	.	.	H	α-helix	trans	-69.7	-39.7	179	164.6	-129.7	0	0	0	112.2	W976 F979 F980 I983 P991 W992 I1018 N1020 V1021 A1036	W976-F1024 AromaticContact CZ3-CE1 3.97Å; W976-F1024 HydrophobicContact CZ3-CE1 3.97Å; W976-F1024 HydrophobicContact CZ3-CZ 4.33Å; F979-F1024 HydrophobicContact CD1-CE1 4.17Å; F979-F1024 HydrophobicContact CD1-CZ 4.1Å; F979-F1024 AromaticContact CE1-CE1 3.72Å; F979-F1024 HydrophobicContact CE1-CE1 3.72Å; F979-F1024 AromaticContact CE1-CZ 3.96Å; F979-F1024 HydrophobicContact CE1-CZ 3.96Å; F980-F1024 AromaticContact CD1-CE2 3.93Å; F980-F1024 HydrophobicContact CD1-CE2 3.93Å; F980-F1024 AromaticContact CD1-CZ 3.69Å; F980-F1024 HydrophobicContact CD1-CZ 3.69Å; F980-F1024 HydrophobicContact CE1-CE1 4.47Å; F980-F1024 AromaticContact CE1-CE2 3.95Å; F980-F1024 HydrophobicContact CE1-CE2 3.95Å; F980-F1024 AromaticContact CE1-CZ 3.53Å; F980-F1024 HydrophobicContact CE1-CZ 3.53Å; I983-F1024 HydrophobicContact CD1-CE1 4.16Å; I983-F1024 HydrophobicContact CD1-CE2 3.66Å; I983-F1024 HydrophobicContact CD1-CZ 3.4Å; I983-F1024 VanDerWaalsContact CD1-CZ 3.4Å; P991-F1024 HydrophobicContact CG-CD2 4.26Å; W992-F1024 HydrophobicContact CH2-CD2 4.3Å; W992-F1024 AromaticContact CH2-CE2 3.66Å; W992-F1024 HydrophobicContact CH2-CE2 3.66Å; W992-F1024 HydrophobicContact CZ3-CD2 4.03Å; W992-F1024 AromaticContact CZ3-CE2 3.87Å; W992-F1024 HydrophobicContact CZ3-CE2 3.87Å; I1018-F1024 HydrophobicContact CB-CD1 4.42Å; I1018-F1024 HydrophobicContact CG1-CD1 4.12Å; I1018-F1024 HydrophobicContact CG1-CD2 4.04Å; I1018-F1024 HydrophobicContact CG1-CE1 4.16Å; I1018-F1024 HydrophobicContact CG1-CE2 4.12Å; I1018-F1024 HydrophobicContact CG1-CG 4.08Å; I1018-F1024 HydrophobicContact CG1-CZ 4.19Å; I1018-F1024 HydrophobicContact CG2-CD1 4.32Å; I1018-F1024 HydrophobicContact CG2-CE1 4.43Å; N1020-F1024 WeakPolarHBondContact O-CB 3.45Å; N1020-F1024 PolarHBondContact O-N 2.92Å; V1021-F1024 PolarHBondContact O-N 3.49Å; F1024-A1036 HydrophobicContact CD1-CB 4.34Å; F1024-A1036 HydrophobicContact CE1-CB 4.17Å
1025	V	94.5	Very high	93.1	Very high	12 Å²	12	61.7 Å²	61.7	7%	0.073	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	25.6	176.6	-53	0	0	0	0	113.2	F979 I983 V1021 G1027 C1028 A1033 A1036	F979-V1025 HydrophobicContact CE1-CG1 4.28Å; F979-V1025 HydrophobicContact CZ-CG1 4.13Å; I983-V1025 HydrophobicContact CD1-CG1 4.23Å; V1021-V1025 HydrophobicContact CG1-CG2 4.42Å; V1021-V1025 WeakPolarHBondContact O-CG2 3.35Å; V1021-V1025 PolarHBondContact O-N 3.48Å; V1025-G1027 PolarHBondContact O-N 3.05Å; V1025-C1028 HydrophobicContact CB-CB 4.04Å; V1025-C1028 WeakPolarHBondContact O-CB 3.38Å; V1025-C1028 PolarHBondContact O-N 3.42Å; V1025-A1033 HydrophobicContact CG2-CB 4.04Å; V1025-A1036 HydrophobicContact CG1-CB 4.34Å
1026	E	91.9	Very high	93.3	Very high	141 Å²	141	61.3 Å²	61.3	66%	0.659	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	125.4	178.6	-174	170.1	-163.8	0	0	111.3	R1023	R1023-E1026 WeakPolarHBondContact O-CB 3.47Å
1027	G	92.2	Very high	93.5	Very high	67 Å²	67	60.9 Å²	60.9	69%	0.691	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-5.5	-173.9	0	0	0	0	0	115.4	V1025	V1025-G1027 PolarHBondContact O-N 3.05Å
1028	C	96.1	Very high	93.8	Very high	24 Å²	24	61.7 Å²	61.7	16%	0.162	31%	0.309	C	S	.	.	S	Bend	trans	-84.9	163.5	174.5	-62.1	0	0	0	0	112.7	V987 V1025 Y1032	V987-C1028 VanDerWaalsContact CG2-SG 3.51Å; V1025-C1028 HydrophobicContact CB-CB 4.04Å; V1025-C1028 WeakPolarHBondContact O-CB 3.38Å; V1025-C1028 PolarHBondContact O-N 3.42Å; C1028-Y1032 HydrophobicContact CB-CD2 3.54Å; C1028-Y1032 HydrophobicContact CB-CE2 4.25Å; C1028-Y1032 HydrophobicContact CB-CG 3.9Å
1029	P	96.2	Very high	93.9	Very high	20 Å²	20	61.1 Å²	61.1	13%	0.13	31%	0.306	C	S	.	.			trans	-59.6	152.3	164.5	-20.8	33.4	0	0	0	112.5	L882 E1031 Y1032 L1060	L882-P1029 HydrophobicContact CD1-CG 4.05Å; L882-P1029 HydrophobicContact CD2-CG 4.47Å; P1029-E1031 VanDerWaalsContact CB-OE2 3.31Å; P1029-E1031 WeakPolarHBondContact CB-OE2 3.32Å; P1029-E1031 PolarHBondContact O-N 3.22Å; P1029-Y1032 HydrophobicContact CB-CD1 4.47Å; P1029-Y1032 HydrophobicContact CG-CE1 4.28Å; P1029-Y1032 WeakPolarHBondContact O-CB 3.46Å; P1029-Y1032 PolarHBondContact O-N 2.77Å; P1029-L1060 HydrophobicContact CB-CD1 3.63Å; P1029-L1060 HydrophobicContact CB-CD2 3.89Å; P1029-L1060 HydrophobicContact CB-CG 4.41Å; P1029-L1060 HydrophobicContact CG-CD1 3.95Å; P1029-L1060 HydrophobicContact CG-CD2 3.78Å
1030	A	94.8	Very high	94.1	Very high	72 Å²	72	56 Å²	56	60%	0.595	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.6	-175.4	0	0	0	0	0	113.3	Y1032 A1033	A1030-Y1032 PolarHBondContact O-N 3.09Å; A1030-A1033 WeakPolarHBondContact O-CB 3.36Å; A1030-A1033 PolarHBondContact O-N 2.77Å
1031	E	96.7	Very high	94.1	Very high	13 Å²	13	58.4 Å²	58.4	6%	0.061	30%	0.303	C	S	.	.	H	α-helix	trans	-58.9	-21.6	179	-60.8	87.7	163.1	0	0	112.7	P1029 A1033 E1034 I1035 L1056 L1060 R1063	P1029-E1031 VanDerWaalsContact CB-OE2 3.31Å; P1029-E1031 WeakPolarHBondContact CB-OE2 3.32Å; P1029-E1031 PolarHBondContact O-N 3.22Å; E1031-A1033 VanDerWaalsContact C-N 3.33Å; E1031-E1034 PolarHBondContact O-N 3.13Å; E1031-I1035 WeakPolarHBondContact O-CG1 3.44Å; E1031-I1035 PolarHBondContact O-N 2.82Å; E1031-I1035 VanDerWaalsContact O-N 3.09Å; E1031-L1056 HydrophobicContact CB-CB 4.26Å; E1031-L1056 HydrophobicContact CB-CD2 4.34Å; E1031-L1056 HydrophobicContact CG-CD2 4.4Å; E1031-L1060 HydrophobicContact CG-CB 4.23Å; E1031-R1063 IonicContact OE1-CZ 2.62Å; E1031-R1063 IonicContact OE1-NE 2.71Å; E1031-R1063 PolarHBondContact OE1-NE 2.9Å; E1031-R1063 IonicContact OE1-NH2 3.23Å; E1031-R1063 PolarHBondContact OE1-NH2 3.38Å; E1031-R1063 IonicContact OE2-CZ 2.94Å; E1031-R1063 IonicContact OE2-NH2 2.7Å; E1031-R1063 PolarHBondContact OE2-NH2 3.35Å
1032	Y	97.2	Very high	94.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-74	-24.7	176.4	-75.7	30.6	0	0	0	111.8	F979 L982 I983 T986 C1028 P1029 A1030 I1035 A1036 L1057 L1060	F979-Y1032 AromaticContact CE2-CD2 3.99Å; F979-Y1032 HydrophobicContact CE2-CD2 3.99Å; F979-Y1032 HydrophobicContact CE2-CG 4.05Å; F979-Y1032 HydrophobicContact CZ-CD2 4.33Å; F979-Y1032 HydrophobicContact CZ-CG 4.33Å; F979-Y1032 VanDerWaalsContact CZ-O 3.26Å; F979-Y1032 WeakPolarHBondContact CZ-O 2.91Å; L982-Y1032 WeakPolarHBondContact CD1-OH 3.14Å; L982-Y1032 HydrophobicContact CD2-CE1 4.16Å; L982-Y1032 HydrophobicContact CD2-CE2 4.1Å; L982-Y1032 HydrophobicContact CG-CE2 3.84Å; L982-Y1032 WeakPolarHBondContact CG-OH 3.4Å; I983-Y1032 HydrophobicContact CG1-CD2 4.06Å; I983-Y1032 HydrophobicContact CG1-CE2 4.41Å; T986-Y1032 PolarHBondContact OG1-OH 3.47Å; T986-Y1032 VanDerWaalsContact OG1-OH 3.11Å; C1028-Y1032 HydrophobicContact CB-CD2 3.54Å; C1028-Y1032 HydrophobicContact CB-CE2 4.25Å; C1028-Y1032 HydrophobicContact CB-CG 3.9Å; P1029-Y1032 HydrophobicContact CB-CD1 4.47Å; P1029-Y1032 HydrophobicContact CG-CE1 4.28Å; P1029-Y1032 WeakPolarHBondContact O-CB 3.46Å; P1029-Y1032 PolarHBondContact O-N 2.77Å; A1030-Y1032 PolarHBondContact O-N 3.09Å; Y1032-I1035 HydrophobicContact CD1-CD1 4.34Å; Y1032-A1036 WeakPolarHBondContact O-CB 3.28Å; Y1032-A1036 PolarHBondContact O-N 3.35Å; Y1032-L1057 HydrophobicContact CE1-CD2 4.16Å; Y1032-L1060 HydrophobicContact CE1-CD2 3.99Å
1033	A	96.1	Very high	94.1	Very high	26 Å²	26	51.9 Å²	51.9	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-46.6	171.8	0	0	0	0	0	110.4	V1021 V1025 A1030 E1031 I1035 A1036 E1037	V1021-A1033 HydrophobicContact CG1-CB 3.82Å; V1025-A1033 HydrophobicContact CG2-CB 4.04Å; A1030-A1033 WeakPolarHBondContact O-CB 3.36Å; A1030-A1033 PolarHBondContact O-N 2.77Å; E1031-A1033 VanDerWaalsContact C-N 3.33Å; A1033-I1035 VanDerWaalsContact C-N 3.35Å; A1033-I1035 PolarHBondContact O-N 2.99Å; A1033-A1036 WeakPolarHBondContact O-CB 3.38Å; A1033-A1036 PolarHBondContact O-N 3.19Å; A1033-E1037 WeakPolarHBondContact O-CG 3.37Å; A1033-E1037 PolarHBondContact O-N 3.5Å
1034	E	95.9	Very high	94.2	Very high	85 Å²	85	46.6 Å²	46.6	40%	0.397	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-40.5	175.8	-63.6	178.1	-108.3	0	0	112.1	E1031 A1036 E1037 L1038 L1056	E1031-E1034 PolarHBondContact O-N 3.13Å; E1034-A1036 VanDerWaalsContact C-N 3.34Å; E1034-A1036 PolarHBondContact O-N 3.19Å; E1034-E1037 PolarHBondContact O-N 2.94Å; E1034-L1038 WeakPolarHBondContact O-CB 3.41Å; E1034-L1038 VanDerWaalsContact O-CG 3.28Å; E1034-L1038 WeakPolarHBondContact O-CG 3.26Å; E1034-L1038 PolarHBondContact O-N 3.5Å; E1034-L1056 HydrophobicContact CB-CD1 3.79Å; E1034-L1056 HydrophobicContact CB-CD2 4.2Å; E1034-L1056 WeakPolarHBondContact OE2-CD2 3.3Å
1035	I	97.1	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-42	172.6	-65.5	167.5	0	0	0	111	W978 F979 E1031 Y1032 A1033 E1037 L1038 L1039 I1053 L1056 L1057	W978-I1035 HydrophobicContact CZ3-CG2 4.28Å; F979-I1035 HydrophobicContact CD2-CB 4.48Å; F979-I1035 HydrophobicContact CD2-CG2 3.61Å; F979-I1035 HydrophobicContact CE1-CG2 4.46Å; F979-I1035 HydrophobicContact CE2-CB 3.92Å; F979-I1035 HydrophobicContact CE2-CD1 4.41Å; F979-I1035 HydrophobicContact CE2-CG2 3.54Å; F979-I1035 HydrophobicContact CG-CG2 4.14Å; F979-I1035 HydrophobicContact CZ-CB 4.16Å; F979-I1035 HydrophobicContact CZ-CG2 4Å; E1031-I1035 WeakPolarHBondContact O-CG1 3.44Å; E1031-I1035 PolarHBondContact O-N 2.82Å; E1031-I1035 VanDerWaalsContact O-N 3.09Å; Y1032-I1035 HydrophobicContact CD1-CD1 4.34Å; A1033-I1035 VanDerWaalsContact C-N 3.35Å; A1033-I1035 PolarHBondContact O-N 2.99Å; I1035-E1037 PolarHBondContact O-N 3.18Å; I1035-L1038 PolarHBondContact O-N 3Å; I1035-L1039 HydrophobicContact CG2-CD1 4.1Å; I1035-L1039 VanDerWaalsContact O-CG 3.3Å; I1035-L1039 WeakPolarHBondContact O-CG 3.26Å; I1035-L1039 PolarHBondContact O-N 3.5Å; I1035-I1053 HydrophobicContact CD1-CG2 4.09Å; I1035-I1053 HydrophobicContact CG1-CG2 4.27Å; I1035-I1053 HydrophobicContact CG2-CG1 4.46Å; I1035-L1056 HydrophobicContact CD1-CB 4.46Å; I1035-L1056 HydrophobicContact CG1-CB 4.38Å; I1035-L1056 HydrophobicContact CG1-CD1 3.73Å; I1035-L1057 HydrophobicContact CD1-CD2 4.3Å; I1035-L1057 HydrophobicContact CD1-CG 4.49Å
1036	A	95.7	Very high	94.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65	-38.9	179.5	0	0	0	0	0	112.4	F979 V1021 F1024 V1025 Y1032 A1033 E1034 L1039 Q1040	F979-A1036 HydrophobicContact CE1-CB 3.83Å; F979-A1036 HydrophobicContact CZ-CB 4.3Å; V1021-A1036 HydrophobicContact CG1-CB 3.93Å; V1021-A1036 HydrophobicContact CG2-CB 4.46Å; F1024-A1036 HydrophobicContact CD1-CB 4.34Å; F1024-A1036 HydrophobicContact CE1-CB 4.17Å; V1025-A1036 HydrophobicContact CG1-CB 4.34Å; Y1032-A1036 WeakPolarHBondContact O-CB 3.28Å; Y1032-A1036 PolarHBondContact O-N 3.35Å; A1033-A1036 WeakPolarHBondContact O-CB 3.38Å; A1033-A1036 PolarHBondContact O-N 3.19Å; E1034-A1036 VanDerWaalsContact C-N 3.34Å; E1034-A1036 PolarHBondContact O-N 3.19Å; A1036-L1039 PolarHBondContact O-N 2.9Å; A1036-Q1040 WeakPolarHBondContact O-CG 3.34Å; A1036-Q1040 PolarHBondContact O-N 3.32Å
1037	E	94.8	Very high	94.3	Very high	102 Å²	102	49.9 Å²	49.9	48%	0.477	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-50.6	175.6	-71	167.2	-177	0	0	110.8	V1021 A1033 E1034 I1035 L1039 Q1040 D1041	V1021-E1037 HydrophobicContact CG1-CG 4.49Å; V1021-E1037 HydrophobicContact CG2-CG 4.21Å; A1033-E1037 WeakPolarHBondContact O-CG 3.37Å; A1033-E1037 PolarHBondContact O-N 3.5Å; E1034-E1037 PolarHBondContact O-N 2.94Å; I1035-E1037 PolarHBondContact O-N 3.18Å; E1037-L1039 PolarHBondContact O-N 2.97Å; E1037-Q1040 PolarHBondContact O-N 2.87Å; E1037-D1041 PolarHBondContact O-N 3.01Å
1038	L	95.3	Very high	94.4	Very high	45 Å²	45	46.9 Å²	46.9	24%	0.236	26%	0.255	C	S	.	.	H	α-helix	trans	-54	-29.4	175.5	-75.5	172.9	0	0	0	113.9	E1034 I1035 Q1042 P1049 R1052 L1056	E1034-L1038 WeakPolarHBondContact O-CB 3.41Å; E1034-L1038 VanDerWaalsContact O-CG 3.28Å; E1034-L1038 WeakPolarHBondContact O-CG 3.26Å; E1034-L1038 PolarHBondContact O-N 3.5Å; I1035-L1038 PolarHBondContact O-N 3Å; L1038-Q1042 WeakPolarHBondContact O-CG 3.28Å; L1038-P1049 HydrophobicContact CB-CG 4.05Å; L1038-P1049 HydrophobicContact CD1-CG 4.49Å; L1038-P1049 HydrophobicContact CD2-CG 4.35Å; L1038-R1052 HydrophobicContact CD1-CB 3.92Å; L1038-L1056 HydrophobicContact CD1-CD1 3.93Å
1039	L	95.3	Very high	94.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-88.1	-18.1	177.9	-66.1	176.5	0	0	0	114	V975 W976 F979 I1035 A1036 E1037 I1053	V975-L1039 HydrophobicContact CB-CD2 4.23Å; V975-L1039 HydrophobicContact CG1-CD1 4.24Å; V975-L1039 HydrophobicContact CG1-CD2 3.62Å; W976-L1039 HydrophobicContact CD2-CB 4.14Å; W976-L1039 HydrophobicContact CD2-CD1 4.28Å; W976-L1039 HydrophobicContact CE3-CD1 4.24Å; W976-L1039 HydrophobicContact CH2-CB 3.93Å; W976-L1039 VanDerWaalsContact CZ2-C 3.49Å; W976-L1039 HydrophobicContact CZ2-CB 3.47Å; W976-L1039 VanDerWaalsContact CZ2-CB 3.47Å; W976-L1039 WeakPolarHBondContact CZ2-O 3.43Å; W976-L1039 HydrophobicContact CZ3-CB 4.44Å; W976-L1039 HydrophobicContact CZ3-CD1 4.48Å; W976-L1039 PolarHBondContact NE1-O 3.46Å; W976-L1039 VanDerWaalsContact NE1-O 3.11Å; F979-L1039 HydrophobicContact CB-CD1 3.99Å; F979-L1039 HydrophobicContact CD1-CD1 4.18Å; F979-L1039 HydrophobicContact CG-CD1 4.15Å; I1035-L1039 HydrophobicContact CG2-CD1 4.1Å; I1035-L1039 VanDerWaalsContact O-CG 3.3Å; I1035-L1039 WeakPolarHBondContact O-CG 3.26Å; I1035-L1039 PolarHBondContact O-N 3.5Å; A1036-L1039 PolarHBondContact O-N 2.9Å; E1037-L1039 PolarHBondContact O-N 2.97Å; L1039-I1053 HydrophobicContact CD2-CD1 4.4Å
1040	Q	92.2	Very high	94.5	Very high	81 Å²	81	47.4 Å²	47.4	38%	0.379	26%	0.255	S	S	.	.	H	α-helix	trans	-76.2	-33.1	175.6	-76.6	-176.1	35.9	0	0	112.1	W976 I1018 A1036 E1037 Q1042	W976-Q1040 HydrophobicContact CH2-CG 3.99Å; W976-Q1040 HydrophobicContact CZ2-CG 3.82Å; I1018-Q1040 PolarHBondContact O-NE2 2.89Å; I1018-Q1040 VanDerWaalsContact O-NE2 3.09Å; A1036-Q1040 WeakPolarHBondContact O-CG 3.34Å; A1036-Q1040 PolarHBondContact O-N 3.32Å; E1037-Q1040 PolarHBondContact O-N 2.87Å; Q1040-Q1042 PolarHBondContact O-N 3.43Å
1041	D	90.8	Very high	94.6	Very high	135 Å²	135	49.8 Å²	49.8	72%	0.722	26%	0.258	S	S	*	.	S	Bend	trans	-75.3	-4.6	-179.8	-67.1	-19.4	0	0	0	114	E1037	E1037-D1041 PolarHBondContact O-N 3.01Å
1042	Q	92	Very high	94.6	Very high	30 Å²	30	56.6 Å²	56.6	14%	0.14	28%	0.283	C	S	.	.			trans	-85.4	126.9	-174.8	-62.3	-70.7	-71.7	0	0	113.3	R972 L1038 Q1040 A1047	R972-Q1042 HydrophobicContact CB-CB 3.96Å; R972-Q1042 WeakPolarHBondContact CD-O 3.48Å; R972-Q1042 HydrophobicContact CG-CB 4.43Å; R972-Q1042 PolarHBondContact NH1-O 2.88Å; L1038-Q1042 WeakPolarHBondContact O-CG 3.28Å; Q1040-Q1042 PolarHBondContact O-N 3.43Å; Q1042-A1047 PolarHBondContact OE1-O 3.31Å
1043	N	90.6	Very high	94.7	Very high	76 Å²	76	56.6 Å²	56.6	41%	0.406	28%	0.283	S	S	.	.			trans	-94.7	-179.4	171.9	82.4	69.1	0	0	0	112.7	R972 Y1045 D1046	R972-N1043 VanDerWaalsContact CD-O 3.31Å; R972-N1043 WeakPolarHBondContact CD-O 3.41Å; N1043-Y1045 VanDerWaalsContact C-N 3.32Å; N1043-Y1045 PolarHBondContact O-N 3.43Å; N1043-Y1045 PolarHBondContact OD1-N 3.13Å; N1043-D1046 VanDerWaalsContact CG-OD2 3.23Å; N1043-D1046 PolarHBondContact N-OD2 3.33Å; N1043-D1046 PolarHBondContact ND2-OD1 3.01Å; N1043-D1046 PolarHBondContact ND2-OD2 2.84Å
1044	F	91	Very high	94.8	Very high	47 Å²	47	56.7 Å²	56.7	21%	0.206	28%	0.278	C	S	.	.	S	Bend	trans	-60.8	-34.1	-176.8	176.1	-92.5	0	0	0	114.4	R944 P946 E968 A970	R944-F1044 WeakPolarHBondContact O-CE1 3.36Å; P946-F1044 HydrophobicContact CB-CD1 4.15Å; P946-F1044 HydrophobicContact CB-CD2 4.02Å; P946-F1044 HydrophobicContact CB-CE1 3.97Å; P946-F1044 HydrophobicContact CB-CE2 3.85Å; P946-F1044 HydrophobicContact CB-CG 4.19Å; P946-F1044 HydrophobicContact CB-CZ 3.82Å; P946-F1044 HydrophobicContact CG-CD1 4.06Å; P946-F1044 HydrophobicContact CG-CE1 4.11Å; P946-F1044 HydrophobicContact CG-CG 4.37Å; P946-F1044 HydrophobicContact CG-CZ 4.47Å; E968-F1044 HydrophobicContact CB-CE2 3.95Å; E968-F1044 HydrophobicContact CG-CE2 3.64Å; E968-F1044 HydrophobicContact CG-CZ 4.06Å; A970-F1044 HydrophobicContact CB-CD2 3.7Å; A970-F1044 HydrophobicContact CB-CE2 4.02Å; A970-F1044 HydrophobicContact CB-CG 4.29Å; A970-F1044 VanDerWaalsContact CB-O 3.27Å; A970-F1044 WeakPolarHBondContact CB-O 3.34Å
1045	Y	93.1	Very high	94.9	Very high	115 Å²	115	55.8 Å²	55.8	45%	0.451	28%	0.282	S	S	.	.	S	Bend	trans	-90.7	-15.6	-173.5	-60.7	-74.9	0	0	0	113.6	L943 P946 R971 N1043	L943-Y1045 HydrophobicContact CB-CD1 4.45Å; L943-Y1045 HydrophobicContact CD1-CD1 3.83Å; P946-Y1045 VanDerWaalsContact CD-OH 3.23Å; P946-Y1045 WeakPolarHBondContact CD-OH 3.35Å; R971-Y1045 PolarHBondContact NH2-O 3.25Å; N1043-Y1045 VanDerWaalsContact C-N 3.32Å; N1043-Y1045 PolarHBondContact O-N 3.43Å; N1043-Y1045 PolarHBondContact OD1-N 3.13Å
1046	D	93.1	Very high	94.9	Very high	49 Å²	49	56.6 Å²	56.6	26%	0.262	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-69.1	159.1	-173.9	-59	-24.1	0	0	0	112.5	R971 N1043	R971-D1046 VanDerWaalsContact CZ-O 3.31Å; R971-D1046 PolarHBondContact NE-O 2.78Å; R971-D1046 VanDerWaalsContact NH2-C 3.26Å; R971-D1046 PolarHBondContact NH2-O 3.2Å; N1043-D1046 VanDerWaalsContact CG-OD2 3.23Å; N1043-D1046 PolarHBondContact N-OD2 3.33Å; N1043-D1046 PolarHBondContact ND2-OD1 3.01Å; N1043-D1046 PolarHBondContact ND2-OD2 2.84Å
1047	A	93.3	Very high	95	Very high	60 Å²	60	56.6 Å²	56.6	50%	0.496	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-98.5	126.5	165.9	0	0	0	0	0	108	Q1042	Q1042-A1047 PolarHBondContact OE1-O 3.31Å
1048	P	95.7	Very high	95	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.026	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-53.3	144.8	177.6	-27.6	34.7	0	0	0	112.3	R971 V975 Y1050	R971-P1048 HydrophobicContact CB-CG 3.85Å; V975-P1048 HydrophobicContact CB-CB 4.44Å; V975-P1048 HydrophobicContact CB-CG 4.47Å; V975-P1048 HydrophobicContact CG2-CB 3.85Å; V975-P1048 HydrophobicContact CG2-CG 3.76Å; P1048-Y1050 HydrophobicContact CB-CD1 4.45Å; P1048-Y1050 HydrophobicContact CB-CE1 3.95Å; P1048-Y1050 HydrophobicContact CB-CE2 4.21Å; P1048-Y1050 HydrophobicContact CG-CE1 4.38Å; P1048-Y1050 WeakPolarHBondContact O-CD2 3.23Å; P1048-Y1050 WeakPolarHBondContact O-CE2 3.13Å; P1048-Y1050 PolarHBondContact O-N 2.7Å
1049	P	95.7	Very high	95.1	Very high	31 Å²	31	56.8 Å²	56.8	20%	0.201	30%	0.296	C	S	.	.			trans	-80.7	59.9	-173.3	32.8	-36.5	0	0	0	112.4	L1038 N1051 R1052 I1053	L1038-P1049 HydrophobicContact CB-CG 4.05Å; L1038-P1049 HydrophobicContact CD1-CG 4.49Å; L1038-P1049 HydrophobicContact CD2-CG 4.35Å; P1049-N1051 VanDerWaalsContact C-N 3.33Å; P1049-N1051 PolarHBondContact O-N 3.3Å; P1049-R1052 HydrophobicContact CB-CB 4.29Å; P1049-R1052 HydrophobicContact CB-CG 4.41Å; P1049-R1052 PolarHBondContact O-N 3.08Å; P1049-I1053 PolarHBondContact O-N 3.03Å; P1049-I1053 VanDerWaalsContact O-N 3.15Å
1050	Y	97.7	Very high	95.1	Very high	24 Å²	24	56.8 Å²	56.8	9%	0.094	30%	0.296	C	S	.	.	H	α-helix	trans	-47.8	-50.3	-173.5	-54.1	-75.8	0	0	0	113	L893 E897 H900 V975 P1048 R1052 I1053 Y1054	L893-Y1050 HydrophobicContact CD1-CD1 3.83Å; L893-Y1050 HydrophobicContact CD1-CE1 4.06Å; L893-Y1050 HydrophobicContact CD2-CD1 4.41Å; L893-Y1050 HydrophobicContact CG-CD1 4.02Å; E897-Y1050 HydrophobicContact CB-CD1 4.18Å; E897-Y1050 HydrophobicContact CB-CE1 4.19Å; E897-Y1050 HydrophobicContact CB-CG 4.45Å; E897-Y1050 HydrophobicContact CG-CD1 4.48Å; E897-Y1050 HydrophobicContact CG-CD2 4.21Å; E897-Y1050 HydrophobicContact CG-CE2 4.42Å; E897-Y1050 HydrophobicContact CG-CG 4.26Å; H900-Y1050 AromaticContact ND1-CZ 3.91Å; H900-Y1050 PolarHBondContact ND1-OH 2.85Å; V975-Y1050 HydrophobicContact CG2-CE1 4.01Å; P1048-Y1050 HydrophobicContact CB-CD1 4.45Å; P1048-Y1050 HydrophobicContact CB-CE1 3.95Å; P1048-Y1050 HydrophobicContact CB-CE2 4.21Å; P1048-Y1050 HydrophobicContact CG-CE1 4.38Å; P1048-Y1050 WeakPolarHBondContact O-CD2 3.23Å; P1048-Y1050 WeakPolarHBondContact O-CE2 3.13Å; P1048-Y1050 PolarHBondContact O-N 2.7Å; Y1050-R1052 VanDerWaalsContact C-N 3.3Å; Y1050-R1052 PolarHBondContact O-N 2.77Å; Y1050-I1053 CarbonylContact O-C 3.59Å; Y1050-I1053 WeakPolarHBondContact O-CA 3.48Å; Y1050-I1053 WeakPolarHBondContact O-CB 3.4Å; Y1050-I1053 PolarHBondContact O-N 3.26Å; Y1050-Y1054 VanDerWaalsContact O-CD2 3.24Å; Y1050-Y1054 WeakPolarHBondContact O-CD2 3.45Å; Y1050-Y1054 PolarHBondContact O-N 2.9Å
1051	N	97.3	Very high	95.3	Very high	122 Å²	122	53.7 Å²	53.7	65%	0.652	28%	0.281	S	S	*	.	H	α-helix	trans	-57.5	-38	179.8	-71	-24.9	0	0	0	113.4	P1049 S1055	P1049-N1051 VanDerWaalsContact C-N 3.33Å; P1049-N1051 PolarHBondContact O-N 3.3Å; N1051-S1055 PolarHBondContact O-N 2.9Å; N1051-S1055 PolarHBondContact O-OG 3.44Å
1052	R	97.3	Very high	95.5	Very high	156 Å²	156	50.8 Å²	50.8	59%	0.589	28%	0.276	S	S	*	.	H	α-helix	trans	-69.7	-40.2	175.8	-66.4	-68.1	-64.7	-139	-1.7	111.2	L1038 P1049 Y1050 S1055 L1056	L1038-R1052 HydrophobicContact CD1-CB 3.92Å; P1049-R1052 HydrophobicContact CB-CB 4.29Å; P1049-R1052 HydrophobicContact CB-CG 4.41Å; P1049-R1052 PolarHBondContact O-N 3.08Å; Y1050-R1052 VanDerWaalsContact C-N 3.3Å; Y1050-R1052 PolarHBondContact O-N 2.77Å; R1052-S1055 PolarHBondContact O-N 2.74Å; R1052-L1056 WeakPolarHBondContact O-CG 3.47Å; R1052-L1056 PolarHBondContact O-N 3.23Å
1053	I	98	Very high	95.6	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-44	176.1	-60.2	171.4	0	0	0	110.3	L893 V975 W978 I1035 L1039 P1049 Y1050 L1056 L1057	L893-I1053 HydrophobicContact CD2-CB 4.01Å; L893-I1053 HydrophobicContact CD2-CD1 4.47Å; L893-I1053 HydrophobicContact CD2-CG2 3.56Å; V975-I1053 HydrophobicContact CG1-CD1 4.19Å; W978-I1053 HydrophobicContact CH2-CG2 3.5Å; W978-I1053 VanDerWaalsContact CH2-CG2 3.5Å; W978-I1053 HydrophobicContact CZ2-CG2 4.42Å; W978-I1053 HydrophobicContact CZ3-CG2 3.95Å; I1035-I1053 HydrophobicContact CD1-CG2 4.09Å; I1035-I1053 HydrophobicContact CG1-CG2 4.27Å; I1035-I1053 HydrophobicContact CG2-CG1 4.46Å; L1039-I1053 HydrophobicContact CD2-CD1 4.4Å; P1049-I1053 PolarHBondContact O-N 3.03Å; P1049-I1053 VanDerWaalsContact O-N 3.15Å; Y1050-I1053 CarbonylContact O-C 3.59Å; Y1050-I1053 WeakPolarHBondContact O-CA 3.48Å; Y1050-I1053 WeakPolarHBondContact O-CB 3.4Å; Y1050-I1053 PolarHBondContact O-N 3.26Å; I1053-L1056 PolarHBondContact O-N 2.9Å; I1053-L1057 HydrophobicContact CG2-CD1 4.29Å; I1053-L1057 WeakPolarHBondContact O-CG 3.23Å; I1053-L1057 PolarHBondContact O-N 2.84Å
1054	Y	98.1	Very high	95.8	Very high	28 Å²	28	57.5 Å²	57.5	11%	0.11	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-43	173.7	-63.3	-47.7	0	0	0	112.1	L893 E894 E897 Y1050 L1056 L1057 N1058	L893-Y1054 HydrophobicContact CB-CE1 4.01Å; L893-Y1054 HydrophobicContact CD2-CD1 4.15Å; L893-Y1054 HydrophobicContact CD2-CE1 3.72Å; L893-Y1054 HydrophobicContact CG-CE1 3.99Å; E894-Y1054 VanDerWaalsContact CA-OH 3.23Å; E894-Y1054 WeakPolarHBondContact CA-OH 3.49Å; E894-Y1054 HydrophobicContact CG-CE1 4.01Å; E894-Y1054 VanDerWaalsContact CG-OH 3.29Å; E894-Y1054 WeakPolarHBondContact CG-OH 3.46Å; E894-Y1054 PolarHBondContact N-OH 2.93Å; E897-Y1054 PolarHBondContact OE2-OH 2.82Å; Y1050-Y1054 VanDerWaalsContact O-CD2 3.24Å; Y1050-Y1054 WeakPolarHBondContact O-CD2 3.45Å; Y1050-Y1054 PolarHBondContact O-N 2.9Å; Y1054-L1056 VanDerWaalsContact C-N 3.34Å; Y1054-L1056 PolarHBondContact O-N 2.93Å; Y1054-L1057 PolarHBondContact O-N 2.76Å; Y1054-N1058 WeakPolarHBondContact O-CB 3.46Å; Y1054-N1058 VanDerWaalsContact O-CG 3.27Å; Y1054-N1058 PolarHBondContact O-N 3.49Å; Y1054-N1058 PolarHBondContact O-ND2 3.28Å
1055	S	97.9	Very high	96	Very high	67 Å²	67	58.4 Å²	58.4	47%	0.469	32%	0.32	S	S	.	.	H	α-helix	trans	-58.1	-45	175.3	-61.5	0	0	0	0	111.9	N1051 R1052 N1058 S1059	N1051-S1055 PolarHBondContact O-N 2.9Å; N1051-S1055 PolarHBondContact O-OG 3.44Å; R1052-S1055 PolarHBondContact O-N 2.74Å; S1055-N1058 PolarHBondContact O-N 2.97Å; S1055-S1059 WeakPolarHBondContact O-CB 3.3Å; S1055-S1059 PolarHBondContact O-N 2.99Å; S1055-S1059 PolarHBondContact O-OG 3.44Å; S1055-S1059 VanDerWaalsContact O-OG 3.05Å
1056	L	98	Very high	96.1	Very high	16 Å²	16	55.2 Å²	55.2	8%	0.084	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-43.3	177.4	-72.3	169.9	0	0	0	112.3	E1031 E1034 I1035 L1038 R1052 I1053 Y1054 S1059 L1060	E1031-L1056 HydrophobicContact CB-CB 4.26Å; E1031-L1056 HydrophobicContact CB-CD2 4.34Å; E1031-L1056 HydrophobicContact CG-CD2 4.4Å; E1034-L1056 HydrophobicContact CB-CD1 3.79Å; E1034-L1056 HydrophobicContact CB-CD2 4.2Å; E1034-L1056 WeakPolarHBondContact OE2-CD2 3.3Å; I1035-L1056 HydrophobicContact CD1-CB 4.46Å; I1035-L1056 HydrophobicContact CG1-CB 4.38Å; I1035-L1056 HydrophobicContact CG1-CD1 3.73Å; L1038-L1056 HydrophobicContact CD1-CD1 3.93Å; R1052-L1056 WeakPolarHBondContact O-CG 3.47Å; R1052-L1056 PolarHBondContact O-N 3.23Å; I1053-L1056 PolarHBondContact O-N 2.9Å; Y1054-L1056 VanDerWaalsContact C-N 3.34Å; Y1054-L1056 PolarHBondContact O-N 2.93Å; L1056-S1059 PolarHBondContact O-N 2.86Å; L1056-L1060 WeakPolarHBondContact O-CB 3.19Å; L1056-L1060 PolarHBondContact O-N 3.12Å
1057	L	97.2	Very high	96	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.8	-36.5	176	-68.1	177.4	0	0	0	112.7	I886 Q890 W978 L982 Y1032 I1035 I1053 Y1054 L1060 M1061	I886-L1057 HydrophobicContact CG2-CB 4.34Å; Q890-L1057 HydrophobicContact CG-CB 4.15Å; Q890-L1057 HydrophobicContact CG-CD1 3.83Å; W978-L1057 HydrophobicContact CH2-CD1 4.26Å; W978-L1057 HydrophobicContact CZ2-CD1 4.16Å; L982-L1057 HydrophobicContact CD2-CD2 4.26Å; Y1032-L1057 HydrophobicContact CE1-CD2 4.16Å; I1035-L1057 HydrophobicContact CD1-CD2 4.3Å; I1035-L1057 HydrophobicContact CD1-CG 4.49Å; I1053-L1057 HydrophobicContact CG2-CD1 4.29Å; I1053-L1057 WeakPolarHBondContact O-CG 3.23Å; I1053-L1057 PolarHBondContact O-N 2.84Å; Y1054-L1057 PolarHBondContact O-N 2.76Å; L1057-L1060 PolarHBondContact O-N 3.39Å; L1057-M1061 WeakPolarHBondContact O-CB 3.29Å; L1057-M1061 PolarHBondContact O-N 2.84Å
1058	N	96.5	Very high	95.7	Very high	83 Å²	83	58.5 Å²	58.5	44%	0.444	31%	0.314	S	S	.	.	H	α-helix	trans	-68.1	-42.5	174.1	-75	-23.2	0	0	0	112	Q890 Y1054 S1055 L1060 M1061 A1062	Q890-N1058 PolarHBondContact NE2-OD1 2.94Å; Y1054-N1058 WeakPolarHBondContact O-CB 3.46Å; Y1054-N1058 VanDerWaalsContact O-CG 3.27Å; Y1054-N1058 PolarHBondContact O-N 3.49Å; Y1054-N1058 PolarHBondContact O-ND2 3.28Å; S1055-N1058 PolarHBondContact O-N 2.97Å; N1058-L1060 VanDerWaalsContact C-N 3.32Å; N1058-L1060 PolarHBondContact O-N 3.34Å; N1058-M1061 WeakPolarHBondContact O-CB 3.47Å; N1058-M1061 PolarHBondContact O-N 3.48Å; N1058-A1062 PolarHBondContact O-N 3.32Å
1059	S	96.2	Very high	95.5	Very high	69 Å²	69	61.6 Å²	61.6	48%	0.483	34%	0.34	S	S	.	.	H	α-helix	trans	-60.1	-42.6	174.3	-65.5	0	0	0	0	111.4	S1055 L1056 R1063	S1055-S1059 WeakPolarHBondContact O-CB 3.3Å; S1055-S1059 PolarHBondContact O-N 2.99Å; S1055-S1059 PolarHBondContact O-OG 3.44Å; S1055-S1059 VanDerWaalsContact O-OG 3.05Å; L1056-S1059 PolarHBondContact O-N 2.86Å; S1059-R1063 WeakPolarHBondContact O-CB 3.44Å; S1059-R1063 PolarHBondContact O-N 3.13Å
1060	L	96.2	Very high	95.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-61.9	-42.4	173.1	173.8	60.8	0	0	0	112.4	L882 I886 P1029 E1031 Y1032 L1056 L1057 N1058 R1063 K1064	L882-L1060 HydrophobicContact CD2-CD1 4.45Å; I886-L1060 HydrophobicContact CD1-CD2 3.91Å; I886-L1060 HydrophobicContact CD1-CG 3.82Å; I886-L1060 HydrophobicContact CG1-CD2 3.91Å; I886-L1060 HydrophobicContact CG1-CG 4.36Å; P1029-L1060 HydrophobicContact CB-CD1 3.63Å; P1029-L1060 HydrophobicContact CB-CD2 3.89Å; P1029-L1060 HydrophobicContact CB-CG 4.41Å; P1029-L1060 HydrophobicContact CG-CD1 3.95Å; P1029-L1060 HydrophobicContact CG-CD2 3.78Å; E1031-L1060 HydrophobicContact CG-CB 4.23Å; Y1032-L1060 HydrophobicContact CE1-CD2 3.99Å; L1056-L1060 WeakPolarHBondContact O-CB 3.19Å; L1056-L1060 PolarHBondContact O-N 3.12Å; L1057-L1060 PolarHBondContact O-N 3.39Å; N1058-L1060 VanDerWaalsContact C-N 3.32Å; N1058-L1060 PolarHBondContact O-N 3.34Å; L1060-R1063 PolarHBondContact O-N 2.85Å; L1060-K1064 HydrophobicContact CD1-CG 4.16Å; L1060-K1064 WeakPolarHBondContact O-CB 3.29Å; L1060-K1064 WeakPolarHBondContact O-CG 3.29Å; L1060-K1064 PolarHBondContact O-N 3.3Å; L1060-K1064 VanDerWaalsContact O-N 3.13Å
1061	M	95.3	Very high	95.1	Very high	15 Å²	15	65.6 Å²	65.6	7%	0.074	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-51.3	177.9	-168.1	-175.3	-73.8	0	0	111.1	I886 Q890 L1057 N1058 R1063 K1064 G1065 Y1066	I886-M1061 HydrophobicContact CD1-CB 4.48Å; I886-M1061 HydrophobicContact CG2-CB 4.45Å; I886-M1061 HydrophobicContact CG2-CE 3.58Å; Q890-M1061 VanDerWaalsContact OE1-CE 3.31Å; L1057-M1061 WeakPolarHBondContact O-CB 3.29Å; L1057-M1061 PolarHBondContact O-N 2.84Å; N1058-M1061 WeakPolarHBondContact O-CB 3.47Å; N1058-M1061 PolarHBondContact O-N 3.48Å; M1061-R1063 PolarHBondContact O-N 3.22Å; M1061-K1064 PolarHBondContact O-N 3.28Å; M1061-G1065 PolarHBondContact O-N 2.68Å; M1061-Y1066 WeakPolarHBondContact CG-O 3.45Å; M1061-Y1066 PolarHBondContact O-N 2.78Å; M1061-Y1066 VanDerWaalsContact O-N 3.13Å
1062	A	94.6	Very high	94.9	Very high	75 Å²	75	59.9 Å²	59.9	62%	0.62	33%	0.327	S	S	*	.	H	α-helix	trans	-61.8	-44.1	177.5	0	0	0	0	0	112.3	N1058 K1064 G1065	N1058-A1062 PolarHBondContact O-N 3.32Å; A1062-K1064 PolarHBondContact O-N 3.45Å; A1062-G1065 PolarHBondContact O-N 2.81Å
1063	R	95.6	Very high	94.7	Very high	140 Å²	140	52.5 Å²	52.5	53%	0.528	30%	0.299	S	S	.	.	H	α-helix	trans	-64.4	-19.1	178.1	-172.6	172.5	67	81.4	-5.9	113.6	E1031 S1059 L1060 M1061	E1031-R1063 IonicContact OE1-CZ 2.62Å; E1031-R1063 IonicContact OE1-NE 2.71Å; E1031-R1063 PolarHBondContact OE1-NE 2.9Å; E1031-R1063 IonicContact OE1-NH2 3.23Å; E1031-R1063 PolarHBondContact OE1-NH2 3.38Å; E1031-R1063 IonicContact OE2-CZ 2.94Å; E1031-R1063 IonicContact OE2-NH2 2.7Å; E1031-R1063 PolarHBondContact OE2-NH2 3.35Å; S1059-R1063 WeakPolarHBondContact O-CB 3.44Å; S1059-R1063 PolarHBondContact O-N 3.13Å; L1060-R1063 PolarHBondContact O-N 2.85Å; M1061-R1063 PolarHBondContact O-N 3.22Å
1064	K	94.9	Very high	94.4	Very high	106 Å²	106	53 Å²	53	46%	0.461	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	1	173.8	-70.4	-64.8	-172.3	178.7	0	114	L882 L1060 M1061 A1062 Y1066	L882-K1064 HydrophobicContact CD2-CD 4.36Å; L882-K1064 HydrophobicContact CD2-CG 4.03Å; L1060-K1064 HydrophobicContact CD1-CG 4.16Å; L1060-K1064 WeakPolarHBondContact O-CB 3.29Å; L1060-K1064 WeakPolarHBondContact O-CG 3.29Å; L1060-K1064 PolarHBondContact O-N 3.3Å; L1060-K1064 VanDerWaalsContact O-N 3.13Å; M1061-K1064 PolarHBondContact O-N 3.28Å; A1062-K1064 PolarHBondContact O-N 3.45Å; K1064-Y1066 VanDerWaalsContact C-N 3.25Å; K1064-Y1066 HydrophobicContact CB-CD2 3.57Å; K1064-Y1066 HydrophobicContact CB-CE2 3.47Å; K1064-Y1066 VanDerWaalsContact CB-CE2 3.47Å; K1064-Y1066 HydrophobicContact CB-CG 4.28Å; K1064-Y1066 HydrophobicContact CG-CE2 4.14Å; K1064-Y1066 PolarHBondContact O-N 3.14Å
1065	G	94.2	Very high	94.1	Very high	66 Å²	66	52.7 Å²	52.7	68%	0.68	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	25	179.9	0	0	0	0	0	113.5	M1061 A1062	M1061-G1065 PolarHBondContact O-N 2.68Å; A1062-G1065 PolarHBondContact O-N 2.81Å
1066	Y	94.7	Very high	93.2	Very high	48 Å²	48	54.4 Å²	54.4	19%	0.188	30%	0.304	C	S	.	.			trans	-91.2	147	174	-56	-48.9	0	0	0	110.9	L882 R883 I886 M1061 K1064 Y1070	L882-Y1066 HydrophobicContact CB-CE2 4.28Å; L882-Y1066 HydrophobicContact CD2-CE2 4.43Å; L882-Y1066 HydrophobicContact CG-CE2 4.32Å; R883-Y1066 HydrophobicContact CB-CD1 4.07Å; R883-Y1066 HydrophobicContact CB-CD2 3.87Å; R883-Y1066 HydrophobicContact CB-CE1 4.13Å; R883-Y1066 HydrophobicContact CB-CE2 3.92Å; R883-Y1066 HydrophobicContact CB-CG 3.95Å; R883-Y1066 HydrophobicContact CG-CD1 4.4Å; R883-Y1066 HydrophobicContact CG-CD2 4.44Å; R883-Y1066 HydrophobicContact CG-CG 4.17Å; I886-Y1066 HydrophobicContact CD1-CD2 4.29Å; M1061-Y1066 WeakPolarHBondContact CG-O 3.45Å; M1061-Y1066 PolarHBondContact O-N 2.78Å; M1061-Y1066 VanDerWaalsContact O-N 3.13Å; K1064-Y1066 VanDerWaalsContact C-N 3.25Å; K1064-Y1066 HydrophobicContact CB-CD2 3.57Å; K1064-Y1066 HydrophobicContact CB-CE2 3.47Å; K1064-Y1066 VanDerWaalsContact CB-CE2 3.47Å; K1064-Y1066 HydrophobicContact CB-CG 4.28Å; K1064-Y1066 HydrophobicContact CG-CE2 4.14Å; K1064-Y1066 PolarHBondContact O-N 3.14Å; Y1066-Y1070 AromaticContact CD1-CD2 3.74Å; Y1066-Y1070 HydrophobicContact CD1-CD2 3.74Å; Y1066-Y1070 HydrophobicContact CD1-CE1 4.47Å; Y1066-Y1070 AromaticContact CD1-CE2 3.67Å; Y1066-Y1070 HydrophobicContact CD1-CE2 3.67Å; Y1066-Y1070 HydrophobicContact CD1-CG 4.17Å; Y1066-Y1070 HydrophobicContact CE1-CD2 4.4Å; Y1066-Y1070 HydrophobicContact CE1-CE1 4.38Å; Y1066-Y1070 AromaticContact CE1-CE2 3.89Å; Y1066-Y1070 HydrophobicContact CE1-CE2 3.89Å; Y1066-Y1070 AromaticContact CE1-CZ 3.89Å
1067	D	91.2	Very high	92.8	Very high	90 Å²	90	60.7 Å²	60.7	48%	0.481	34%	0.338	S	S	.	.			trans	-121.1	-176.3	173.9	64.7	16.2	0	0	0	111.3	R883 A1069 Y1070	R883-D1067 PolarHBondContact NE-O 3.1Å; R883-D1067 PolarHBondContact NH2-O 3.47Å; D1067-A1069 VanDerWaalsContact C-N 3.3Å; D1067-A1069 WeakPolarHBondContact OD1-CA 3.43Å; D1067-A1069 WeakPolarHBondContact OD1-CB 3.24Å; D1067-A1069 PolarHBondContact OD1-N 3.2Å; D1067-Y1070 PolarHBondContact OD1-N 2.86Å
1068	E	87.7	Confident	92.4	Very high	88 Å²	88	61.1 Å²	61.1	41%	0.411	34%	0.343	S	S	.	.	S	Bend	trans	-72.4	-17.3	174.2	-81.2	-72.7	-161.8	0	0	113.6	R883 R891 R923	R883-E1068 VanDerWaalsContact NH2-CA 3.33Å; R883-E1068 PolarHBondContact NH2-O 3.44Å; R883-E1068 IonicContact NH2-OE2 3.84Å; R883-E1068 PolarHBondContact NH2-OE2 3.43Å; R891-E1068 IonicContact NH2-OE1 3.49Å; R891-E1068 PolarHBondContact NH2-OE1 3.19Å; R923-E1068 PolarHBondContact NH1-O 3.08Å
1069	A	90.8	Very high	92.2	Very high	69 Å²	69	63.8 Å²	63.8	57%	0.57	35%	0.352	S	S	*	.	S	Bend	trans	-78.2	-35.5	179.3	0	0	0	0	0	112.5	R923 D1067	R923-A1069 PolarHBondContact NH2-O 3.08Å; D1067-A1069 VanDerWaalsContact C-N 3.3Å; D1067-A1069 WeakPolarHBondContact OD1-CA 3.43Å; D1067-A1069 WeakPolarHBondContact OD1-CB 3.24Å; D1067-A1069 PolarHBondContact OD1-N 3.2Å
1070	Y	92.3	Very high	92	Very high	95 Å²	95	61.1 Å²	61.1	37%	0.373	33%	0.332	S	S	.	.	S	Bend	trans	-43.8	123.7	-174.7	-158.4	-73.1	0	0	0	113.3	R883 Y1066 D1067	R883-Y1070 HydrophobicContact CB-CD1 4.07Å; R883-Y1070 HydrophobicContact CB-CE1 4.35Å; R883-Y1070 HydrophobicContact CG-CD1 3.64Å; R883-Y1070 HydrophobicContact CG-CE1 4.4Å; R883-Y1070 HydrophobicContact CG-CG 4Å; Y1066-Y1070 AromaticContact CD1-CD2 3.74Å; Y1066-Y1070 HydrophobicContact CD1-CD2 3.74Å; Y1066-Y1070 HydrophobicContact CD1-CE1 4.47Å; Y1066-Y1070 AromaticContact CD1-CE2 3.67Å; Y1066-Y1070 HydrophobicContact CD1-CE2 3.67Å; Y1066-Y1070 HydrophobicContact CD1-CG 4.17Å; Y1066-Y1070 HydrophobicContact CE1-CD2 4.4Å; Y1066-Y1070 HydrophobicContact CE1-CE1 4.38Å; Y1066-Y1070 AromaticContact CE1-CE2 3.89Å; Y1066-Y1070 HydrophobicContact CE1-CE2 3.89Å; Y1066-Y1070 AromaticContact CE1-CZ 3.89Å; D1067-Y1070 PolarHBondContact OD1-N 2.86Å
1071	P	92.7	Very high	91.7	Very high	45 Å²	45	63 Å²	63	29%	0.292	34%	0.341	S	S	.	.			trans	-58.8	136.7	-176	-26.2	34.7	0	0	0	114	N1077	P1071-N1077 HydrophobicContact CG-CB 4.2Å
1072	L	94.1	Very high	91.4	Very high	1 Å²	1	70 Å²	70	1%	0.005	37%	0.374	C	S	.	.			trans	-79.9	161.2	170.1	-52	173	0	0	0	110.7	Y887 R923 W1074 E1075 G1078	Y887-L1072 HydrophobicContact CD1-CD1 3.55Å; Y887-L1072 HydrophobicContact CD1-CD2 3.89Å; Y887-L1072 HydrophobicContact CD1-CG 4.41Å; Y887-L1072 HydrophobicContact CD2-CD2 4.25Å; Y887-L1072 HydrophobicContact CE1-CD1 3.67Å; Y887-L1072 HydrophobicContact CG-CD1 4.15Å; Y887-L1072 HydrophobicContact CG-CD2 3.66Å; R923-L1072 HydrophobicContact CG-CD1 4.17Å; L1072-W1074 HydrophobicContact CB-CD2 4.29Å; L1072-W1074 HydrophobicContact CB-CE3 4.47Å; L1072-W1074 HydrophobicContact CB-CH2 4.32Å; L1072-W1074 HydrophobicContact CB-CZ2 4.15Å; L1072-W1074 HydrophobicContact CB-CZ3 4.49Å; L1072-W1074 HydrophobicContact CD1-CH2 4.24Å; L1072-W1074 HydrophobicContact CD1-CZ2 3.61Å; L1072-W1074 HydrophobicContact CG-CZ2 4.45Å; L1072-W1074 PolarHBondContact O-N 3.3Å; L1072-E1075 HydrophobicContact CB-CG 3.96Å; L1072-E1075 HydrophobicContact CG-CG 4.42Å; L1072-E1075 WeakPolarHBondContact CG-OE2 3.44Å; L1072-E1075 PolarHBondContact N-OE2 2.89Å; L1072-E1075 PolarHBondContact O-N 3.05Å; L1072-G1078 VanDerWaalsContact O-CA 3.25Å; L1072-G1078 WeakPolarHBondContact O-CA 3.36Å
1073	D	93.7	Very high	91.2	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.005	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.4	-176.2	-74.3	-57.3	0	0	0	115.7	F880 V881 S884 H1080 H1081 T1084	F880-D1073 VanDerWaalsContact CB-OD2 3.29Å; F880-D1073 WeakPolarHBondContact CB-OD2 3.48Å; F880-D1073 HydrophobicContact CD1-CB 4.04Å; V881-D1073 WeakPolarHBondContact CG2-OD1 3.32Å; V881-D1073 PolarHBondContact N-OD2 3.22Å; S884-D1073 WeakPolarHBondContact CB-OD2 3.36Å; S884-D1073 VanDerWaalsContact OG-CG 3.26Å; S884-D1073 PolarHBondContact OG-N 3.03Å; S884-D1073 VanDerWaalsContact OG-N 3.1Å; S884-D1073 PolarHBondContact OG-OD2 2.79Å; D1073-H1080 HydrophobicContact CB-CB 4.31Å; D1073-H1080 CarbonylContact O-C 3.55Å; D1073-H1080 IonicContact OD1-CD2 2.72Å; D1073-H1080 PolarHBondContact OD1-CD2 2.83Å; D1073-H1080 VanDerWaalsContact OD1-CD2 3.27Å; D1073-H1080 IonicContact OD1-CG 3.18Å; D1073-H1081 WeakPolarHBondContact O-CA 3.45Å; D1073-H1081 PolarHBondContact O-N 3.04Å; D1073-H1081 VanDerWaalsContact O-N 3.12Å; D1073-T1084 HydrophobicContact CB-CG2 4.49Å; D1073-T1084 WeakPolarHBondContact O-CG2 3.41Å; D1073-T1084 PolarHBondContact O-OG1 3.05Å
1074	W	91.4	Very high	90.8	Very high	11 Å²	11	62.2 Å²	62.2	4%	0.042	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	10.3	178.3	60.5	86.1	0	0	0	114.4	L865 F880 V888 Y922 I925 L1072 T1084	L865-W1074 HydrophobicContact CD1-CD2 3.98Å; L865-W1074 HydrophobicContact CD1-CE3 3.88Å; L865-W1074 HydrophobicContact CD1-CG 4.31Å; L865-W1074 HydrophobicContact CD1-CZ3 4.41Å; L865-W1074 HydrophobicContact CD2-CB 4Å; F880-W1074 HydrophobicContact CZ-CZ3 4.47Å; V888-W1074 HydrophobicContact CG2-CH2 3.58Å; V888-W1074 HydrophobicContact CG2-CZ3 4.26Å; Y922-W1074 PolarHBondContact O-NE1 2.81Å; Y922-W1074 VanDerWaalsContact O-NE1 3.07Å; I925-W1074 HydrophobicContact CD1-CZ2 4.23Å; L1072-W1074 HydrophobicContact CB-CD2 4.29Å; L1072-W1074 HydrophobicContact CB-CE3 4.47Å; L1072-W1074 HydrophobicContact CB-CH2 4.32Å; L1072-W1074 HydrophobicContact CB-CZ2 4.15Å; L1072-W1074 HydrophobicContact CB-CZ3 4.49Å; L1072-W1074 HydrophobicContact CD1-CH2 4.24Å; L1072-W1074 HydrophobicContact CD1-CZ2 3.61Å; L1072-W1074 HydrophobicContact CG-CZ2 4.45Å; L1072-W1074 PolarHBondContact O-N 3.3Å; W1074-T1084 VanDerWaalsContact CA-OG1 3.29Å; W1074-T1084 WeakPolarHBondContact CA-OG1 3.45Å; W1074-T1084 HydrophobicContact CB-CG2 4.26Å
1075	E	90.3	Very high	90.3	Very high	21 Å²	21	62.9 Å²	62.9	10%	0.098	34%	0.337	C	S	.	.	S	Bend	trans	-98.3	159.3	175.7	-68.3	-173.7	139.3	0	0	111.6	R923 L1072 N1077 G1078 H1081	R923-E1075 WeakPolarHBondContact CD-OE1 3.13Å; R923-E1075 WeakPolarHBondContact CG-OE1 3.48Å; R923-E1075 IonicContact CZ-OE1 2.65Å; R923-E1075 IonicContact CZ-OE2 3.23Å; R923-E1075 IonicContact NE-OE1 3.9Å; R923-E1075 PolarHBondContact NE-OE1 3.47Å; R923-E1075 IonicContact NE-OE2 3.79Å; R923-E1075 PolarHBondContact NE-OE2 2.86Å; R923-E1075 IonicContact NH2-OE1 3.77Å; R923-E1075 IonicContact NH2-OE2 2.93Å; R923-E1075 PolarHBondContact NH2-OE2 3.45Å; L1072-E1075 HydrophobicContact CB-CG 3.96Å; L1072-E1075 HydrophobicContact CG-CG 4.42Å; L1072-E1075 WeakPolarHBondContact CG-OE2 3.44Å; L1072-E1075 PolarHBondContact N-OE2 2.89Å; L1072-E1075 PolarHBondContact O-N 3.05Å; E1075-N1077 PolarHBondContact O-N 3Å; E1075-G1078 WeakPolarHBondContact O-CA 3.49Å; E1075-G1078 PolarHBondContact O-N 2.95Å; E1075-H1081 VanDerWaalsContact C-ND1 3.26Å; E1075-H1081 WeakPolarHBondContact O-CB 3.36Å; E1075-H1081 PolarHBondContact O-ND1 3.15Å
1076	D	80.6	Confident	89.7	Confident	103 Å²	103	63.5 Å²	63.5	55%	0.551	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	129.5	171.3	-53.4	-24.5	0	0	0	108.9	G1078 H1081	D1076-G1078 VanDerWaalsContact C-N 3.3Å; D1076-H1081 IonicContact OD1-CE1 3.68Å; D1076-H1081 PolarHBondContact OD1-CE1 3.26Å; D1076-H1081 IonicContact OD1-ND1 2.69Å; D1076-H1081 IonicContact OD1-NE2 3.68Å
1077	N	88	Confident	89.1	Confident	149 Å²	149	61.8 Å²	61.8	80%	0.797	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	5.6	-169.1	-40.4	-77.7	0	0	0	116.4	P1071 E1075	P1071-N1077 HydrophobicContact CG-CB 4.2Å; E1075-N1077 PolarHBondContact O-N 3Å
1078	G	90.4	Very high	88.4	Confident	9 Å²	9	61.3 Å²	61.3	9%	0.093	33%	0.333	C	S	.	.			trans	-64.7	141.8	167.5	0	0	0	0	0	112.3	L1072 E1075 D1076 H1080 H1081	L1072-G1078 VanDerWaalsContact O-CA 3.25Å; L1072-G1078 WeakPolarHBondContact O-CA 3.36Å; E1075-G1078 WeakPolarHBondContact O-CA 3.49Å; E1075-G1078 PolarHBondContact O-N 2.95Å; D1076-G1078 VanDerWaalsContact C-N 3.3Å; G1078-H1080 PolarHBondContact O-N 2.95Å; G1078-H1080 VanDerWaalsContact O-N 3.09Å; G1078-H1081 VanDerWaalsContact O-CB 3.32Å; G1078-H1081 WeakPolarHBondContact O-CB 3.37Å; G1078-H1081 PolarHBondContact O-N 3.31Å; G1078-H1081 VanDerWaalsContact O-N 3.08Å
1079	Q	91.7	Very high	87.5	Confident	138 Å²	138	59.7 Å²	59.7	65%	0.645	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.9	-176.4	-179.5	172.7	-14.3	0	0	113.3	V881	V881-Q1079 HydrophobicContact CG2-CB 3.95Å; V881-Q1079 HydrophobicContact CG2-CG 4.35Å
1080	H	91.5	Very high	86.3	Confident	13 Å²	13	56.8 Å²	56.8	6%	0.06	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	23.9	-179.7	-61.4	-54.6	0	0	0	113.7	L869 F873 D1073 G1078 Q1082 Q1083 T1084	L869-H1080 HydrophobicContact CD1-CB 4.35Å; L869-H1080 HydrophobicContact CD2-CB 3.6Å; F873-H1080 AromaticContact CZ-NE2 3.92Å; D1073-H1080 HydrophobicContact CB-CB 4.31Å; D1073-H1080 CarbonylContact O-C 3.55Å; D1073-H1080 IonicContact OD1-CD2 2.72Å; D1073-H1080 PolarHBondContact OD1-CD2 2.83Å; D1073-H1080 VanDerWaalsContact OD1-CD2 3.27Å; D1073-H1080 IonicContact OD1-CG 3.18Å; G1078-H1080 PolarHBondContact O-N 2.95Å; G1078-H1080 VanDerWaalsContact O-N 3.09Å; H1080-Q1082 PolarHBondContact O-N 2.97Å; H1080-Q1083 VanDerWaalsContact C-OE1 3.24Å; H1080-Q1083 VanDerWaalsContact CA-OE1 3.29Å; H1080-Q1083 PolarHBondContact O-N 3.21Å; H1080-Q1083 PolarHBondContact O-OE1 2.83Å; H1080-T1084 WeakPolarHBondContact O-CG2 3.2Å; H1080-T1084 PolarHBondContact O-N 2.55Å; H1080-T1084 PolarHBondContact O-OG1 3.35Å
1081	H	90.2	Very high	84.6	Confident	40 Å²	40	55.9 Å²	55.9	19%	0.185	31%	0.311	C	S	.	.	H	α-helix	trans	-56.4	-45.9	-176	173.8	78.1	0	0	0	112.9	D1073 E1075 D1076 G1078 Q1083 T1084 M1085	D1073-H1081 WeakPolarHBondContact O-CA 3.45Å; D1073-H1081 PolarHBondContact O-N 3.04Å; D1073-H1081 VanDerWaalsContact O-N 3.12Å; E1075-H1081 VanDerWaalsContact C-ND1 3.26Å; E1075-H1081 WeakPolarHBondContact O-CB 3.36Å; E1075-H1081 PolarHBondContact O-ND1 3.15Å; D1076-H1081 IonicContact OD1-CE1 3.68Å; D1076-H1081 PolarHBondContact OD1-CE1 3.26Å; D1076-H1081 IonicContact OD1-ND1 2.69Å; D1076-H1081 IonicContact OD1-NE2 3.68Å; G1078-H1081 VanDerWaalsContact O-CB 3.32Å; G1078-H1081 WeakPolarHBondContact O-CB 3.37Å; G1078-H1081 PolarHBondContact O-N 3.31Å; G1078-H1081 VanDerWaalsContact O-N 3.08Å; H1081-Q1083 VanDerWaalsContact C-N 3.26Å; H1081-Q1083 PolarHBondContact O-N 2.84Å; H1081-T1084 WeakPolarHBondContact CA-OG1 3.49Å; H1081-T1084 PolarHBondContact O-N 3.16Å; H1081-T1084 PolarHBondContact O-OG1 2.78Å; H1081-T1084 VanDerWaalsContact O-OG1 3.05Å; H1081-M1085 WeakPolarHBondContact O-CB 3.48Å; H1081-M1085 WeakPolarHBondContact O-CG 3.29Å; H1081-M1085 PolarHBondContact O-N 2.84Å
1082	Q	88.3	Confident	82.9	Confident	163 Å²	163	54.3 Å²	54.3	76%	0.762	30%	0.3	S	S	*	.	H	α-helix	trans	-62	-35.5	-177	-67	-177.1	-9.7	0	0	112.4	H1080	H1080-Q1082 PolarHBondContact O-N 2.97Å
1083	Q	90.3	Very high	80.9	Confident	45 Å²	45	54.7 Å²	54.7	21%	0.21	30%	0.302	C	S	.	.	H	α-helix	trans	-78.6	-45.2	179.4	-61.3	82.5	-1.2	0	0	111.1	S868 L869 Q872 H1080 H1081 M1085 A1086	S868-Q1083 WeakPolarHBondContact CB-O 3.45Å; L869-Q1083 HydrophobicContact CD2-CB 3.69Å; Q872-Q1083 VanDerWaalsContact CD-NE2 3.29Å; Q872-Q1083 HydrophobicContact CG-CG 3.84Å; H1080-Q1083 VanDerWaalsContact C-OE1 3.24Å; H1080-Q1083 VanDerWaalsContact CA-OE1 3.29Å; H1080-Q1083 PolarHBondContact O-N 3.21Å; H1080-Q1083 PolarHBondContact O-OE1 2.83Å; H1081-Q1083 VanDerWaalsContact C-N 3.26Å; H1081-Q1083 PolarHBondContact O-N 2.84Å; Q1083-M1085 VanDerWaalsContact C-N 3.25Å; Q1083-M1085 PolarHBondContact O-N 2.79Å; Q1083-A1086 WeakPolarHBondContact O-CB 3.37Å; Q1083-A1086 PolarHBondContact O-N 3.1Å
1084	T	88	Confident	78.4	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-65.3	-26.1	179.2	51.4	0	0	0	0	113.6	L865 S868 L869 D1073 W1074 H1080 H1081 A1086 A1087	L865-T1084 HydrophobicContact CD2-CG2 4.01Å; S868-T1084 WeakPolarHBondContact OG-CA 3.3Å; L869-T1084 HydrophobicContact CD2-CG2 3.95Å; D1073-T1084 HydrophobicContact CB-CG2 4.49Å; D1073-T1084 WeakPolarHBondContact O-CG2 3.41Å; D1073-T1084 PolarHBondContact O-OG1 3.05Å; W1074-T1084 VanDerWaalsContact CA-OG1 3.29Å; W1074-T1084 WeakPolarHBondContact CA-OG1 3.45Å; W1074-T1084 HydrophobicContact CB-CG2 4.26Å; H1080-T1084 WeakPolarHBondContact O-CG2 3.2Å; H1080-T1084 PolarHBondContact O-N 2.55Å; H1080-T1084 PolarHBondContact O-OG1 3.35Å; H1081-T1084 WeakPolarHBondContact CA-OG1 3.49Å; H1081-T1084 PolarHBondContact O-N 3.16Å; H1081-T1084 PolarHBondContact O-OG1 2.78Å; H1081-T1084 VanDerWaalsContact O-OG1 3.05Å; T1084-A1086 PolarHBondContact O-N 2.82Å; T1084-A1087 WeakPolarHBondContact O-CB 3.42Å; T1084-A1087 PolarHBondContact O-N 3.17Å
1085	M	83.9	Confident	75.8	Confident	120 Å²	120	57.8 Å²	57.8	59%	0.591	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20	170.2	-75.4	-68.4	-75.7	0	0	113.7	H1081 Q1083	H1081-M1085 WeakPolarHBondContact O-CB 3.48Å; H1081-M1085 WeakPolarHBondContact O-CG 3.29Å; H1081-M1085 PolarHBondContact O-N 2.84Å; Q1083-M1085 VanDerWaalsContact C-N 3.25Å; Q1083-M1085 PolarHBondContact O-N 2.79Å
1086	A	82.4	Confident	72.8	Confident	80 Å²	80	59.7 Å²	59.7	66%	0.661	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.1	172.7	0	0	0	0	0	113.6	Q1083 T1084	Q1083-A1086 WeakPolarHBondContact O-CB 3.37Å; Q1083-A1086 PolarHBondContact O-N 3.1Å; T1084-A1086 PolarHBondContact O-N 2.82Å
1087	A	82.4	Confident	70.3	Confident	12 Å²	12	64.3 Å²	64.3	10%	0.099	38%	0.375	C	S	.	.	S	Bend	trans	-63.4	131.2	-178.9	0	0	0	0	0	111.5	P860 L865 T1084	P860-A1087 HydrophobicContact CB-CB 3.93Å; P860-A1087 HydrophobicContact CG-CB 4.08Å; L865-A1087 HydrophobicContact CD2-CB 3.9Å; L865-A1087 HydrophobicContact CG-CB 4.5Å; T1084-A1087 WeakPolarHBondContact O-CB 3.42Å; T1084-A1087 PolarHBondContact O-N 3.17Å
1088	P	76.6	Confident	67.2	Low	79 Å²	79	60.3 Å²	60.3	51%	0.513	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-63.6	146.4	-178.9	25.1	-34.3	0	0	0	111.9
1089	A	68.3	Low	64.1	Low	55 Å²	55	67.5 Å²	67.5	46%	0.455	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-58	141.7	174	0	0	0	0	0	111.2	N1091	A1089-N1091 PolarHBondContact O-N 3.46Å
1090	H	65	Low	60.9	Low	8 Å²	8	64.7 Å²	64.7	4%	0.037	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-63.7	130.8	-177.2	-166.3	-61.4	0	0	0	111.9	V858 G859 S861 H912 M1092	V858-H1090 HydrophobicContact CG2-CB 4.1Å; G859-H1090 WeakPolarHBondContact O-CB 3.42Å; S861-H1090 VanDerWaalsContact CA-CD2 3.45Å; S861-H1090 WeakPolarHBondContact CA-CD2 3.46Å; S861-H1090 WeakPolarHBondContact CB-CD2 3.47Å; H912-H1090 PolarHBondContact O-NE2 3.12Å; H1090-M1092 WeakPolarHBondContact CE1-CA 3.18Å; H1090-M1092 WeakPolarHBondContact CE1-CB 3.18Å; H1090-M1092 WeakPolarHBondContact CE1-CG 3.46Å; H1090-M1092 PolarHBondContact CE1-N 3.2Å; H1090-M1092 PolarHBondContact CE1-SD 2.78Å; H1090-M1092 VanDerWaalsContact ND1-CA 3.3Å; H1090-M1092 WeakPolarHBondContact ND1-CA 3.09Å; H1090-M1092 PolarHBondContact ND1-N 2.95Å; H1090-M1092 WeakPolarHBondContact NE2-CA 3.37Å; H1090-M1092 PolarHBondContact NE2-N 2.72Å
1091	N	56.9	Low	57.7	Low	75 Å²	75	72 Å²	72	40%	0.401	44%	0.442	S	S	.	.			trans	-88.8	-6.7	-174.3	62.4	10.4	0	0	0	114	L786 A1089 M1093	L786-N1091 WeakPolarHBondContact O-CA 3.24Å; L786-N1091 VanDerWaalsContact O-CB 3.22Å; L786-N1091 WeakPolarHBondContact O-CB 3.33Å; A1089-N1091 PolarHBondContact O-N 3.46Å; N1091-M1093 PolarHBondContact O-N 3.05Å
1092	M	58	Low	54.5	Low	12 Å²	12	74.8 Å²	74.8	6%	0.059	47%	0.466	C	S	.	.			trans	58.7	19.3	168.8	-65.5	-89.7	-78.4	0	0	114.3	V794 A807 M855 V858 L928 H1090	V794-M1092 HydrophobicContact CB-CB 4.2Å; V794-M1092 HydrophobicContact CG1-CB 3.85Å; V794-M1092 HydrophobicContact CG1-CG 4.38Å; V794-M1092 HydrophobicContact CG2-CB 3.83Å; A807-M1092 HydrophobicContact CB-CE 3.87Å; M855-M1092 HydrophobicContact CG-CE 3.77Å; M855-M1092 HydrophobicContact SD-CE 3.55Å; M855-M1092 VanDerWaalsContact SD-CE 3.55Å; V858-M1092 HydrophobicContact CG2-SD 3.61Å; L928-M1092 HydrophobicContact CD1-SD 3.93Å; L928-M1092 HydrophobicContact CD2-SD 3.91Å; H1090-M1092 WeakPolarHBondContact CE1-CA 3.18Å; H1090-M1092 WeakPolarHBondContact CE1-CB 3.18Å; H1090-M1092 WeakPolarHBondContact CE1-CG 3.46Å; H1090-M1092 PolarHBondContact CE1-N 3.2Å; H1090-M1092 PolarHBondContact CE1-SD 2.78Å; H1090-M1092 VanDerWaalsContact ND1-CA 3.3Å; H1090-M1092 WeakPolarHBondContact ND1-CA 3.09Å; H1090-M1092 PolarHBondContact ND1-N 2.95Å; H1090-M1092 WeakPolarHBondContact NE2-CA 3.37Å; H1090-M1092 PolarHBondContact NE2-N 2.72Å
1093	M	51.4	Low	51.5	Low	9 Å²	9	71.5 Å²	71.5	4%	0.044	46%	0.461	C	S	.	.	S	Bend	trans	-119.6	149.8	177.3	-71	-61.7	-70	0	0	109.7	G792 V794 K809 N1091 G1095	G792-M1093 WeakPolarHBondContact O-CE 3.44Å; V794-M1093 HydrophobicContact CG2-CG 3.72Å; V794-M1093 HydrophobicContact CG2-SD 3.66Å; K809-M1093 HydrophobicContact CD-SD 4.4Å; K809-M1093 HydrophobicContact CG-SD 4.26Å; N1091-M1093 PolarHBondContact O-N 3.05Å; M1093-G1095 PolarHBondContact O-N 3.31Å
1094	P	40.7	Very low	48.5	Very low	35 Å²	35	77.8 Å²	77.8	23%	0.227	50%	0.495	C	S	.	.			trans	-55.8	126.9	169.1	20.4	-30.2	0	0	0	109.1	D929 G1096	D929-P1094 VanDerWaalsContact OD2-CB 3.31Å; D929-P1094 WeakPolarHBondContact OD2-CB 3.28Å; D929-P1094 WeakPolarHBondContact OD2-CD 3.48Å; P1094-G1096 PolarHBondContact O-N 3.27Å
1095	G	36.2	Very low	45.4	Very low	42 Å²	42	84.9 Å²	84.9	43%	0.433	53%	0.533	S	S	.	.			trans	-55	99.1	176.7	0	0	0	0	0	111.1	M1093	M1093-G1095 PolarHBondContact O-N 3.31Å
1096	G	27.9	Very low	42.7	Very low	61 Å²	61	86 Å²	86	63%	0.629	54%	0.542	S	S	*	.			trans	-58.3	154	160.7	0	0	0	0	0	108.5	P1094 G1098	P1094-G1096 PolarHBondContact O-N 3.27Å; G1096-G1098 VanDerWaalsContact C-N 3.26Å; G1096-G1098 PolarHBondContact O-N 3.45Å
1097	Q	27.6	Very low	40	Very low	200 Å²	200	92 Å²	92	94%	0.935	56%	0.562	S	S	*	*			trans	-60.5	88.3	-179.2	-70.5	176.1	-18.8	0	0	110.7
1098	G	24.7	Very low	37.9	Very low	66 Å²	66	96 Å²	96	68%	0.68	59%	0.585	S	S	*	*			trans	-61.4	138.6	165.3	0	0	0	0	0	108	G1096 G1100	G1096-G1098 VanDerWaalsContact C-N 3.26Å; G1096-G1098 PolarHBondContact O-N 3.45Å; G1098-G1100 PolarHBondContact O-N 3.05Å
1099	H	24.3	Very low	35.9	Very low	160 Å²	160	96.8 Å²	96.8	74%	0.741	59%	0.589	S	S	*	*			trans	-60.1	95.8	-179.7	-84	-101.6	0	0	0	110.9	Q1101	H1099-Q1101 PolarHBondContact O-N 3.4Å
1100	G	25.3	Very low	34.1	Very low	79 Å²	79	99.2 Å²	99.2	81%	0.814	60%	0.596	S	S	*	*			trans	-72.2	48.4	157.3	0	0	0	0	0	111.3	G1098	G1098-G1100 PolarHBondContact O-N 3.05Å
1101	Q	23.1	Very low	32.2	Very low	166 Å²	166	104.5 Å²	104.5	78%	0.776	63%	0.629	S	S	*	*			trans	-122.5	70.4	168.2	-83.1	-168.7	-60.4	0	0	107.9	H1099	H1099-Q1101 PolarHBondContact O-N 3.4Å
1102	S	24.4	Very low	30.7	Very low	98 Å²	98	106.4 Å²	106.4	69%	0.685	64%	0.644	S	S	*	*	S	Bend	trans	-152.6	136.8	162.7	48.9	0	0	0	0	109.1
1103	S	24.6	Very low	28.9	Very low	94 Å²	94	112.7 Å²	112.7	66%	0.657	68%	0.683	S	S	*	*	S	Bend	trans	65.4	54.2	172.1	64.3	0	0	0	0	119.3
1104	L	26.7	Very low	27.3	Very low	177 Å²	177	120.1 Å²	120.1	93%	0.927	73%	0.728	S	S	*	*			trans	-142.5	51.6	143.8	-81.3	-173.7	0	0	0	110.6
1105	D	23.7	Very low	26.2	Very low	154 Å²	154	126.6 Å²	126.6	82%	0.824	77%	0.767	S	S	*	*			trans	-123.2	93.5	163.2	-81.2	-50.3	0	0	0	107
1106	N	25.6	Very low	25.4	Very low	145 Å²	145	133.7 Å²	133.7	78%	0.775	79%	0.794	S	S	*	*			trans	177	65.6	161.6	-93.6	-15.1	0	0	0	110.3
1107	D	27.2	Very low	25.2	Very low	204 Å²	204	140.3 Å²	140.3	100%	1.091	81%	0.81	S	S	*	*			trans	170.6	0	140.3	-92.4	-7	0	0	0	112.4	Q706	Q706-D1107 PolarHBondContact NE2-OD1 3.04Å

Retrieved 1,107 of 1,107 residues in 1202.7 ms (Link to these results)

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